----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:29:03]------------------------- 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: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31m (157) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.863158467543100 0.000000000000000 0.000000000000000 b -4.431579233771550 7.675720390659479 0.000000000000000 c 0.000000000000000 0.000000000000000 3.967667619999999 Atomic positions (fractional): *1 K 0.40324559377662 0.00000000000000 0.50214272666697 39.098 2 K 0.00000000000000 0.40324559377662 0.50214272666697 39.098 3 K 0.59675440622338 0.59675440622338 0.50214272666697 39.098 *4 Nb 0.00000000000000 0.75280074323340 0.98630215137562 92.906 5 Nb 0.24719925676660 0.24719925676660 0.98630215137562 92.906 6 Nb 0.75280074323340 0.00000000000000 0.98630215137562 92.906 *7 B 0.33333333333333 0.66666666666667 0.01764397020133 10.811 8 B 0.66666666666667 0.33333333333333 0.01764397020133 10.811 *9 O 0.00000000000000 0.73575377375711 0.51380344574955 15.999 *10 O 0.18858720437709 0.68509679048828 0.01777383376982 15.999 11 O 0.49650958611119 0.81141279562291 0.01777383376982 15.999 *12 O 0.00000000000000 0.17850106714406 0.01247466186732 15.999 13 O 0.68509679048828 0.18858720437709 0.01777383376982 15.999 14 O 0.31490320951172 0.50349041388881 0.01777383376982 15.999 15 O 0.17850106714406 0.00000000000000 0.01247466186732 15.999 16 O 0.82149893285594 0.82149893285594 0.01247466186732 15.999 17 O 0.50349041388881 0.31490320951172 0.01777383376982 15.999 18 O 0.26424622624289 0.26424622624289 0.51380344574955 15.999 19 O 0.81141279562291 0.49650958611119 0.01777383376982 15.999 20 O 0.73575377375711 0.00000000000000 0.51380344574955 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.863158467543100 0.000000000000000 0.000000000000000 b -4.431579233771550 7.675720390659479 0.000000000000000 c 0.000000000000000 0.000000000000000 3.967667619999999 Atomic positions (fractional): *1 K 0.40324559377662 0.00000000000000 0.50214272666697 39.098 > 1 2 K 0.00000000000000 0.40324559377662 0.50214272666697 39.098 > 2 3 K 0.59675440622338 0.59675440622338 0.50214272666697 39.098 > 3 *4 Nb 0.00000000000000 0.75280074323340 0.98630215137562 92.906 > 4 5 Nb 0.24719925676660 0.24719925676660 0.98630215137562 92.906 > 5 6 Nb 0.75280074323340 0.00000000000000 0.98630215137562 92.906 > 6 *7 B 0.33333333333333 0.66666666666667 0.01764397020133 10.811 > 7 8 B 0.66666666666667 0.33333333333333 0.01764397020133 10.811 > 8 *9 O 0.00000000000000 0.73575377375711 0.51380344574955 15.999 > 9 *10 O 0.18858720437709 0.68509679048828 0.01777383376982 15.999 > 10 11 O 0.49650958611119 0.81141279562291 0.01777383376982 15.999 > 11 *12 O 0.00000000000000 0.17850106714406 0.01247466186732 15.999 > 12 13 O 0.68509679048828 0.18858720437709 0.01777383376982 15.999 > 13 14 O 0.31490320951172 0.50349041388881 0.01777383376982 15.999 > 14 15 O 0.17850106714406 0.00000000000000 0.01247466186732 15.999 > 15 16 O 0.82149893285594 0.82149893285594 0.01247466186732 15.999 > 16 17 O 0.50349041388881 0.31490320951172 0.01777383376982 15.999 > 17 18 O 0.26424622624289 0.26424622624289 0.51380344574955 15.999 > 18 19 O 0.81141279562291 0.49650958611119 0.01777383376982 15.999 > 19 20 O 0.73575377375711 0.00000000000000 0.51380344574955 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.863158467543100 0.000000000000000 0.000000000000000 b -4.431579233771550 7.675720390659479 0.000000000000000 c 0.000000000000000 0.000000000000000 11.903002859999997 Atomic positions (fractional): *1 K 0.40324559377662 0.00000000000000 0.16738090888899 39.098 > 1 2 K 0.40324559377662 0.00000000000000 0.50071424222232 39.098 > 1 3 K 0.40324559377662 0.00000000000000 0.83404757555566 39.098 > 1 4 K 0.00000000000000 0.40324559377662 0.16738090888899 39.098 > 2 5 K 0.00000000000000 0.40324559377662 0.50071424222232 39.098 > 2 6 K 0.00000000000000 0.40324559377662 0.83404757555566 39.098 > 2 7 K 0.59675440622338 0.59675440622338 0.16738090888899 39.098 > 3 8 K 0.59675440622338 0.59675440622338 0.50071424222232 39.098 > 3 9 K 0.59675440622338 0.59675440622338 0.83404757555566 39.098 > 3 *10 Nb 0.00000000000000 0.75280074323340 0.32876738379187 92.906 > 4 11 Nb 0.00000000000000 0.75280074323340 0.66210071712521 92.906 > 4 12 Nb 0.00000000000000 0.75280074323340 0.99543405045854 92.906 > 4 13 Nb 0.24719925676660 0.24719925676660 0.32876738379187 92.906 > 5 14 Nb 0.24719925676660 0.24719925676660 0.66210071712521 92.906 > 5 15 Nb 0.24719925676660 0.24719925676660 0.99543405045854 92.906 > 5 16 Nb 0.75280074323340 0.00000000000000 0.32876738379187 92.906 > 6 17 Nb 0.75280074323340 0.00000000000000 0.66210071712521 92.906 > 6 18 Nb 0.75280074323340 0.00000000000000 0.99543405045854 92.906 > 6 *19 B 0.33333333333333 0.66666666666667 0.00588132340044 10.811 > 7 20 B 0.33333333333333 0.66666666666667 0.33921465673378 10.811 > 7 21 B 0.33333333333333 0.66666666666667 0.67254799006711 10.811 > 7 22 B 0.66666666666667 0.33333333333333 0.00588132340044 10.811 > 8 23 B 0.66666666666667 0.33333333333333 0.33921465673378 10.811 > 8 24 B 0.66666666666667 0.33333333333333 0.67254799006711 10.811 > 8 *25 O 0.00000000000000 0.73575377375711 0.17126781524985 15.999 > 9 26 O 0.00000000000000 0.73575377375711 0.50460114858318 15.999 > 9 27 O 0.00000000000000 0.73575377375711 0.83793448191652 15.999 > 9 *28 O 0.18858720437709 0.68509679048828 0.00592461125661 15.999 > 10 29 O 0.18858720437709 0.68509679048828 0.33925794458994 15.999 > 10 30 O 0.18858720437709 0.68509679048828 0.67259127792327 15.999 > 10 31 O 0.49650958611119 0.81141279562291 0.00592461125661 15.999 > 11 32 O 0.49650958611119 0.81141279562291 0.33925794458994 15.999 > 11 33 O 0.49650958611119 0.81141279562291 0.67259127792327 15.999 > 11 *34 O 0.00000000000000 0.17850106714406 0.00415822062244 15.999 > 12 35 O 0.00000000000000 0.17850106714406 0.33749155395577 15.999 > 12 36 O 0.00000000000000 0.17850106714406 0.67082488728911 15.999 > 12 37 O 0.68509679048828 0.18858720437709 0.00592461125661 15.999 > 13 38 O 0.68509679048828 0.18858720437709 0.33925794458994 15.999 > 13 39 O 0.68509679048828 0.18858720437709 0.67259127792327 15.999 > 13 40 O 0.31490320951172 0.50349041388881 0.00592461125661 15.999 > 14 41 O 0.31490320951172 0.50349041388881 0.33925794458994 15.999 > 14 42 O 0.31490320951172 0.50349041388881 0.67259127792327 15.999 > 14 43 O 0.17850106714406 0.00000000000000 0.00415822062244 15.999 > 15 44 O 0.17850106714406 0.00000000000000 0.33749155395577 15.999 > 15 45 O 0.17850106714406 0.00000000000000 0.67082488728911 15.999 > 15 46 O 0.82149893285594 0.82149893285594 0.00415822062244 15.999 > 16 47 O 0.82149893285594 0.82149893285594 0.33749155395577 15.999 > 16 48 O 0.82149893285594 0.82149893285594 0.67082488728911 15.999 > 16 49 O 0.50349041388881 0.31490320951172 0.00592461125661 15.999 > 17 50 O 0.50349041388881 0.31490320951172 0.33925794458994 15.999 > 17 51 O 0.50349041388881 0.31490320951172 0.67259127792327 15.999 > 17 52 O 0.26424622624289 0.26424622624289 0.17126781524985 15.999 > 18 53 O 0.26424622624289 0.26424622624289 0.50460114858318 15.999 > 18 54 O 0.26424622624289 0.26424622624289 0.83793448191652 15.999 > 18 55 O 0.81141279562291 0.49650958611119 0.00592461125661 15.999 > 19 56 O 0.81141279562291 0.49650958611119 0.33925794458994 15.999 > 19 57 O 0.81141279562291 0.49650958611119 0.67259127792327 15.999 > 19 58 O 0.73575377375711 0.00000000000000 0.17126781524985 15.999 > 20 59 O 0.73575377375711 0.00000000000000 0.50460114858318 15.999 > 20 60 O 0.73575377375711 0.00000000000000 0.83793448191652 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6939499 0.0000000 0.0000000 0.0000000 4.6939499 0.0000000 0.0000000 0.0000000 4.6631121 -------------------------- Born effective charges -------------------------- 1 K 1.5433184 -0.0000000 0.0012239 0.0000000 0.9456116 0.0000000 0.0000591 0.0000000 1.2253856 2 K 1.0950383 -0.2588146 -0.0006120 -0.2588146 1.3938917 0.0010600 -0.0000295 0.0000512 1.2253856 3 K 1.0950383 0.2588146 -0.0006120 0.2588146 1.3938917 -0.0010600 -0.0000295 -0.0000512 1.2253856 4 Nb 7.0818473 -0.6519987 -0.1590295 -0.6519987 7.8347105 0.2754472 -0.0583895 0.1011336 8.6232390 5 Nb 7.0818473 0.6519987 -0.1590295 0.6519987 7.8347105 -0.2754472 -0.0583895 -0.1011336 8.6232390 6 Nb 8.2111422 -0.0000000 0.3180591 0.0000000 6.7054157 0.0000000 0.1167791 -0.0000000 8.6232390 7 B 4.5929502 0.6857815 0.0000000 -0.6857815 4.5929502 0.0000000 0.0000000 0.0000000 0.3802132 8 B 4.5929502 -0.6857815 0.0000000 0.6857815 4.5929502 0.0000000 0.0000000 0.0000000 0.3802132 9 O -1.2403088 0.0620628 0.1516214 0.0620628 -1.3119727 -0.2626160 0.0906022 -0.1569276 -6.6880766 10 O -5.1357598 0.6561206 -0.1386876 1.2585265 -1.8624718 0.0475813 -0.0756814 0.0461624 -1.0790005 11 O -3.5098603 -2.1972400 0.1105504 -1.5948341 -3.4883713 0.0963163 0.0778185 0.0424608 -1.0790005 12 O -4.5024197 -1.7529761 0.0205019 -1.7529761 -2.4782572 -0.0355103 0.0555529 -0.0962205 -1.2560225 13 O -3.5098603 2.1972400 0.1105504 1.5948341 -3.4883713 -0.0963163 0.0778185 -0.0424608 -1.0790005 14 O -1.8517273 0.6375105 0.0281372 1.2399165 -5.1465043 -0.1438976 -0.0021371 -0.0886232 -1.0790005 15 O -1.4661759 -0.0000000 -0.0410037 0.0000000 -5.5145009 0.0000000 -0.1111058 0.0000000 -1.2560225 16 O -4.5024197 1.7529761 0.0205019 1.7529761 -2.4782572 0.0355103 0.0555529 0.0962205 -1.2560225 17 O -5.1357598 -0.6561206 -0.1386876 -1.2585265 -1.8624718 -0.0475813 -0.0756814 -0.0461624 -1.0790005 18 O -1.2403088 -0.0620628 0.1516214 -0.0620628 -1.3119727 0.2626160 0.0906022 0.1569276 -6.6880766 19 O -1.8517273 -0.6375105 0.0281372 -1.2399165 -5.1465043 0.1438976 -0.0021371 0.0886232 -1.0790005 20 O -1.3478046 0.0000000 -0.3032428 0.0000000 -1.2044768 0.0000000 -0.1812044 0.0000000 -6.6880766 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 180/180 Permutation basis: 5550/5550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 932 Number of blocks in projector: 470 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 415 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 121 Use standard eigh solver. Tree of FC basis block matrices: - (932, 900), data: False |-- (121, 115), data: True |-- (396, 384), data: True |-- (415, 401), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 0.115 Solver_block: 200 / 400 - Time: 0.118 Solver_block: 300 / 400 - Time: 0.119 Solver_block: 400 / 400 - Time: 0.118 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.483 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 180/180 Permutation basis: 5550/5550 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 932 Number of blocks in projector: 470 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 415 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 121 Use standard eigh solver. Tree of FC basis block matrices: - (932, 900), data: False |-- (121, 115), data: True |-- (396, 384), data: True |-- (415, 401), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:29:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:29:12]------------------------- 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): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31m (157) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.863158467543100 0.000000000000000 0.000000000000000 b -4.431579233771550 7.675720390659479 0.000000000000000 c 0.000000000000000 0.000000000000000 3.967667619999999 Atomic positions (fractional): 1 K 0.40324559377662 0.00000000000000 0.50214272666697 39.098 2 K 0.00000000000000 0.40324559377662 0.50214272666697 39.098 3 K 0.59675440622338 0.59675440622338 0.50214272666697 39.098 4 Nb 0.00000000000000 0.75280074323340 0.98630215137562 92.906 5 Nb 0.24719925676660 0.24719925676660 0.98630215137562 92.906 6 Nb 0.75280074323340 0.00000000000000 0.98630215137562 92.906 7 B 0.33333333333333 0.66666666666667 0.01764397020133 10.811 8 B 0.66666666666667 0.33333333333333 0.01764397020133 10.811 9 O 0.00000000000000 0.73575377375711 0.51380344574955 15.999 10 O 0.18858720437709 0.68509679048828 0.01777383376982 15.999 11 O 0.49650958611119 0.81141279562291 0.01777383376982 15.999 12 O 0.00000000000000 0.17850106714406 0.01247466186732 15.999 13 O 0.68509679048828 0.18858720437709 0.01777383376982 15.999 14 O 0.31490320951172 0.50349041388881 0.01777383376982 15.999 15 O 0.17850106714406 0.00000000000000 0.01247466186732 15.999 16 O 0.82149893285594 0.82149893285594 0.01247466186732 15.999 17 O 0.50349041388881 0.31490320951172 0.01777383376982 15.999 18 O 0.26424622624289 0.26424622624289 0.51380344574955 15.999 19 O 0.81141279562291 0.49650958611119 0.01777383376982 15.999 20 O 0.73575377375711 0.00000000000000 0.51380344574955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.863158467543100 0.000000000000000 0.000000000000000 b -4.431579233771550 7.675720390659479 0.000000000000000 c 0.000000000000000 0.000000000000000 11.903002859999997 Atomic positions (fractional): 1 K 0.40324559377662 0.00000000000000 0.16738090888899 39.098 > 1 2 K 0.40324559377662 0.00000000000000 0.50071424222232 39.098 > 1 3 K 0.40324559377662 0.00000000000000 0.83404757555566 39.098 > 1 4 K 0.00000000000000 0.40324559377662 0.16738090888899 39.098 > 4 5 K 0.00000000000000 0.40324559377662 0.50071424222232 39.098 > 4 6 K 0.00000000000000 0.40324559377662 0.83404757555566 39.098 > 4 7 K 0.59675440622338 0.59675440622338 0.16738090888899 39.098 > 7 8 K 0.59675440622338 0.59675440622338 0.50071424222232 39.098 > 7 9 K 0.59675440622338 0.59675440622338 0.83404757555566 39.098 > 7 10 Nb 0.00000000000000 0.75280074323340 0.32876738379187 92.906 > 10 11 Nb 0.00000000000000 0.75280074323340 0.66210071712521 92.906 > 10 12 Nb 0.00000000000000 0.75280074323340 0.99543405045854 92.906 > 10 13 Nb 0.24719925676660 0.24719925676660 0.32876738379187 92.906 > 13 14 Nb 0.24719925676660 0.24719925676660 0.66210071712521 92.906 > 13 15 Nb 0.24719925676660 0.24719925676660 0.99543405045854 92.906 > 13 16 Nb 0.75280074323340 0.00000000000000 0.32876738379187 92.906 > 16 17 Nb 0.75280074323340 0.00000000000000 0.66210071712521 92.906 > 16 18 Nb 0.75280074323340 0.00000000000000 0.99543405045854 92.906 > 16 19 B 0.33333333333333 0.66666666666667 0.00588132340044 10.811 > 19 20 B 0.33333333333333 0.66666666666667 0.33921465673378 10.811 > 19 21 B 0.33333333333333 0.66666666666667 0.67254799006711 10.811 > 19 22 B 0.66666666666667 0.33333333333333 0.00588132340044 10.811 > 22 23 B 0.66666666666667 0.33333333333333 0.33921465673378 10.811 > 22 24 B 0.66666666666667 0.33333333333333 0.67254799006711 10.811 > 22 25 O 0.00000000000000 0.73575377375711 0.17126781524985 15.999 > 25 26 O 0.00000000000000 0.73575377375711 0.50460114858318 15.999 > 25 27 O 0.00000000000000 0.73575377375711 0.83793448191652 15.999 > 25 28 O 0.18858720437709 0.68509679048828 0.00592461125661 15.999 > 28 29 O 0.18858720437709 0.68509679048828 0.33925794458994 15.999 > 28 30 O 0.18858720437709 0.68509679048828 0.67259127792327 15.999 > 28 31 O 0.49650958611119 0.81141279562291 0.00592461125661 15.999 > 31 32 O 0.49650958611119 0.81141279562291 0.33925794458994 15.999 > 31 33 O 0.49650958611119 0.81141279562291 0.67259127792327 15.999 > 31 34 O 0.00000000000000 0.17850106714406 0.00415822062244 15.999 > 34 35 O 0.00000000000000 0.17850106714406 0.33749155395577 15.999 > 34 36 O 0.00000000000000 0.17850106714406 0.67082488728911 15.999 > 34 37 O 0.68509679048828 0.18858720437709 0.00592461125661 15.999 > 37 38 O 0.68509679048828 0.18858720437709 0.33925794458994 15.999 > 37 39 O 0.68509679048828 0.18858720437709 0.67259127792327 15.999 > 37 40 O 0.31490320951172 0.50349041388881 0.00592461125661 15.999 > 40 41 O 0.31490320951172 0.50349041388881 0.33925794458994 15.999 > 40 42 O 0.31490320951172 0.50349041388881 0.67259127792327 15.999 > 40 43 O 0.17850106714406 0.00000000000000 0.00415822062244 15.999 > 43 44 O 0.17850106714406 0.00000000000000 0.33749155395577 15.999 > 43 45 O 0.17850106714406 0.00000000000000 0.67082488728911 15.999 > 43 46 O 0.82149893285594 0.82149893285594 0.00415822062244 15.999 > 46 47 O 0.82149893285594 0.82149893285594 0.33749155395577 15.999 > 46 48 O 0.82149893285594 0.82149893285594 0.67082488728911 15.999 > 46 49 O 0.50349041388881 0.31490320951172 0.00592461125661 15.999 > 49 50 O 0.50349041388881 0.31490320951172 0.33925794458994 15.999 > 49 51 O 0.50349041388881 0.31490320951172 0.67259127792327 15.999 > 49 52 O 0.26424622624289 0.26424622624289 0.17126781524985 15.999 > 52 53 O 0.26424622624289 0.26424622624289 0.50460114858318 15.999 > 52 54 O 0.26424622624289 0.26424622624289 0.83793448191652 15.999 > 52 55 O 0.81141279562291 0.49650958611119 0.00592461125661 15.999 > 55 56 O 0.81141279562291 0.49650958611119 0.33925794458994 15.999 > 55 57 O 0.81141279562291 0.49650958611119 0.67259127792327 15.999 > 55 58 O 0.73575377375711 0.00000000000000 0.17126781524985 15.999 > 58 59 O 0.73575377375711 0.00000000000000 0.50460114858318 15.999 > 58 60 O 0.73575377375711 0.00000000000000 0.83793448191652 15.999 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6939499 0.0000000 0.0000000 0.0000000 4.6939499 0.0000000 0.0000000 0.0000000 4.6631121 -------------------------- Born effective charges -------------------------- 1 K 1.5433184 -0.0000000 0.0012239 0.0000000 0.9456116 0.0000000 0.0000591 0.0000000 1.2253856 2 K 1.0950383 -0.2588146 -0.0006120 -0.2588146 1.3938917 0.0010600 -0.0000295 0.0000512 1.2253856 3 K 1.0950383 0.2588146 -0.0006120 0.2588146 1.3938917 -0.0010600 -0.0000295 -0.0000512 1.2253856 4 Nb 7.0818473 -0.6519987 -0.1590295 -0.6519987 7.8347105 0.2754472 -0.0583895 0.1011336 8.6232390 5 Nb 7.0818473 0.6519987 -0.1590295 0.6519987 7.8347105 -0.2754472 -0.0583895 -0.1011336 8.6232390 6 Nb 8.2111422 -0.0000000 0.3180591 0.0000000 6.7054157 0.0000000 0.1167791 -0.0000000 8.6232390 7 B 4.5929502 0.6857815 0.0000000 -0.6857815 4.5929502 0.0000000 0.0000000 0.0000000 0.3802132 8 B 4.5929502 -0.6857815 0.0000000 0.6857815 4.5929502 0.0000000 0.0000000 0.0000000 0.3802132 9 O -1.2403088 0.0620628 0.1516214 0.0620628 -1.3119727 -0.2626160 0.0906022 -0.1569276 -6.6880766 10 O -5.1357598 0.6561206 -0.1386876 1.2585265 -1.8624718 0.0475813 -0.0756814 0.0461624 -1.0790005 11 O -3.5098603 -2.1972400 0.1105504 -1.5948341 -3.4883713 0.0963163 0.0778185 0.0424608 -1.0790005 12 O -4.5024197 -1.7529761 0.0205019 -1.7529761 -2.4782572 -0.0355103 0.0555529 -0.0962205 -1.2560225 13 O -3.5098603 2.1972400 0.1105504 1.5948341 -3.4883713 -0.0963163 0.0778185 -0.0424608 -1.0790005 14 O -1.8517273 0.6375105 0.0281372 1.2399165 -5.1465043 -0.1438976 -0.0021371 -0.0886232 -1.0790005 15 O -1.4661759 -0.0000000 -0.0410037 0.0000000 -5.5145009 0.0000000 -0.1111058 0.0000000 -1.2560225 16 O -4.5024197 1.7529761 0.0205019 1.7529761 -2.4782572 0.0355103 0.0555529 0.0962205 -1.2560225 17 O -5.1357598 -0.6561206 -0.1386876 -1.2585265 -1.8624718 -0.0475813 -0.0756814 -0.0461624 -1.0790005 18 O -1.2403088 -0.0620628 0.1516214 -0.0620628 -1.3119727 0.2626160 0.0906022 0.1569276 -6.6880766 19 O -1.8517273 -0.6375105 0.0281372 -1.2399165 -5.1465043 0.1438976 -0.0021371 0.0886232 -1.0790005 20 O -1.3478046 0.0000000 -0.3032428 0.0000000 -1.2044768 0.0000000 -0.1812044 0.0000000 -6.6880766 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 10, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 34, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:29:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:29:18]------------------------- 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): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31m (157) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.863158467543100 0.000000000000000 0.000000000000000 b -4.431579233771550 7.675720390659479 0.000000000000000 c 0.000000000000000 0.000000000000000 3.967667619999999 Atomic positions (fractional): 1 K 0.40324559377662 0.00000000000000 0.50214272666697 39.098 2 K 0.00000000000000 0.40324559377662 0.50214272666697 39.098 3 K 0.59675440622338 0.59675440622338 0.50214272666697 39.098 4 Nb 0.00000000000000 0.75280074323340 0.98630215137562 92.906 5 Nb 0.24719925676660 0.24719925676660 0.98630215137562 92.906 6 Nb 0.75280074323340 0.00000000000000 0.98630215137562 92.906 7 B 0.33333333333333 0.66666666666667 0.01764397020133 10.811 8 B 0.66666666666667 0.33333333333333 0.01764397020133 10.811 9 O 0.00000000000000 0.73575377375711 0.51380344574955 15.999 10 O 0.18858720437709 0.68509679048828 0.01777383376982 15.999 11 O 0.49650958611119 0.81141279562291 0.01777383376982 15.999 12 O 0.00000000000000 0.17850106714406 0.01247466186732 15.999 13 O 0.68509679048828 0.18858720437709 0.01777383376982 15.999 14 O 0.31490320951172 0.50349041388881 0.01777383376982 15.999 15 O 0.17850106714406 0.00000000000000 0.01247466186732 15.999 16 O 0.82149893285594 0.82149893285594 0.01247466186732 15.999 17 O 0.50349041388881 0.31490320951172 0.01777383376982 15.999 18 O 0.26424622624289 0.26424622624289 0.51380344574955 15.999 19 O 0.81141279562291 0.49650958611119 0.01777383376982 15.999 20 O 0.73575377375711 0.00000000000000 0.51380344574955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.863158467543100 0.000000000000000 0.000000000000000 b -4.431579233771550 7.675720390659479 0.000000000000000 c 0.000000000000000 0.000000000000000 11.903002859999997 Atomic positions (fractional): 1 K 0.40324559377662 0.00000000000000 0.16738090888899 39.098 > 1 2 K 0.40324559377662 0.00000000000000 0.50071424222232 39.098 > 1 3 K 0.40324559377662 0.00000000000000 0.83404757555566 39.098 > 1 4 K 0.00000000000000 0.40324559377662 0.16738090888899 39.098 > 4 5 K 0.00000000000000 0.40324559377662 0.50071424222232 39.098 > 4 6 K 0.00000000000000 0.40324559377662 0.83404757555566 39.098 > 4 7 K 0.59675440622338 0.59675440622338 0.16738090888899 39.098 > 7 8 K 0.59675440622338 0.59675440622338 0.50071424222232 39.098 > 7 9 K 0.59675440622338 0.59675440622338 0.83404757555566 39.098 > 7 10 Nb 0.00000000000000 0.75280074323340 0.32876738379187 92.906 > 10 11 Nb 0.00000000000000 0.75280074323340 0.66210071712521 92.906 > 10 12 Nb 0.00000000000000 0.75280074323340 0.99543405045854 92.906 > 10 13 Nb 0.24719925676660 0.24719925676660 0.32876738379187 92.906 > 13 14 Nb 0.24719925676660 0.24719925676660 0.66210071712521 92.906 > 13 15 Nb 0.24719925676660 0.24719925676660 0.99543405045854 92.906 > 13 16 Nb 0.75280074323340 0.00000000000000 0.32876738379187 92.906 > 16 17 Nb 0.75280074323340 0.00000000000000 0.66210071712521 92.906 > 16 18 Nb 0.75280074323340 0.00000000000000 0.99543405045854 92.906 > 16 19 B 0.33333333333333 0.66666666666667 0.00588132340044 10.811 > 19 20 B 0.33333333333333 0.66666666666667 0.33921465673378 10.811 > 19 21 B 0.33333333333333 0.66666666666667 0.67254799006711 10.811 > 19 22 B 0.66666666666667 0.33333333333333 0.00588132340044 10.811 > 22 23 B 0.66666666666667 0.33333333333333 0.33921465673378 10.811 > 22 24 B 0.66666666666667 0.33333333333333 0.67254799006711 10.811 > 22 25 O 0.00000000000000 0.73575377375711 0.17126781524985 15.999 > 25 26 O 0.00000000000000 0.73575377375711 0.50460114858318 15.999 > 25 27 O 0.00000000000000 0.73575377375711 0.83793448191652 15.999 > 25 28 O 0.18858720437709 0.68509679048828 0.00592461125661 15.999 > 28 29 O 0.18858720437709 0.68509679048828 0.33925794458994 15.999 > 28 30 O 0.18858720437709 0.68509679048828 0.67259127792327 15.999 > 28 31 O 0.49650958611119 0.81141279562291 0.00592461125661 15.999 > 31 32 O 0.49650958611119 0.81141279562291 0.33925794458994 15.999 > 31 33 O 0.49650958611119 0.81141279562291 0.67259127792327 15.999 > 31 34 O 0.00000000000000 0.17850106714406 0.00415822062244 15.999 > 34 35 O 0.00000000000000 0.17850106714406 0.33749155395577 15.999 > 34 36 O 0.00000000000000 0.17850106714406 0.67082488728911 15.999 > 34 37 O 0.68509679048828 0.18858720437709 0.00592461125661 15.999 > 37 38 O 0.68509679048828 0.18858720437709 0.33925794458994 15.999 > 37 39 O 0.68509679048828 0.18858720437709 0.67259127792327 15.999 > 37 40 O 0.31490320951172 0.50349041388881 0.00592461125661 15.999 > 40 41 O 0.31490320951172 0.50349041388881 0.33925794458994 15.999 > 40 42 O 0.31490320951172 0.50349041388881 0.67259127792327 15.999 > 40 43 O 0.17850106714406 0.00000000000000 0.00415822062244 15.999 > 43 44 O 0.17850106714406 0.00000000000000 0.33749155395577 15.999 > 43 45 O 0.17850106714406 0.00000000000000 0.67082488728911 15.999 > 43 46 O 0.82149893285594 0.82149893285594 0.00415822062244 15.999 > 46 47 O 0.82149893285594 0.82149893285594 0.33749155395577 15.999 > 46 48 O 0.82149893285594 0.82149893285594 0.67082488728911 15.999 > 46 49 O 0.50349041388881 0.31490320951172 0.00592461125661 15.999 > 49 50 O 0.50349041388881 0.31490320951172 0.33925794458994 15.999 > 49 51 O 0.50349041388881 0.31490320951172 0.67259127792327 15.999 > 49 52 O 0.26424622624289 0.26424622624289 0.17126781524985 15.999 > 52 53 O 0.26424622624289 0.26424622624289 0.50460114858318 15.999 > 52 54 O 0.26424622624289 0.26424622624289 0.83793448191652 15.999 > 52 55 O 0.81141279562291 0.49650958611119 0.00592461125661 15.999 > 55 56 O 0.81141279562291 0.49650958611119 0.33925794458994 15.999 > 55 57 O 0.81141279562291 0.49650958611119 0.67259127792327 15.999 > 55 58 O 0.73575377375711 0.00000000000000 0.17126781524985 15.999 > 58 59 O 0.73575377375711 0.00000000000000 0.50460114858318 15.999 > 58 60 O 0.73575377375711 0.00000000000000 0.83793448191652 15.999 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6939499 0.0000000 0.0000000 0.0000000 4.6939499 0.0000000 0.0000000 0.0000000 4.6631121 -------------------------- Born effective charges -------------------------- 1 K 1.5433184 -0.0000000 0.0012239 0.0000000 0.9456116 0.0000000 0.0000591 0.0000000 1.2253856 2 K 1.0950383 -0.2588146 -0.0006120 -0.2588146 1.3938917 0.0010600 -0.0000295 0.0000512 1.2253856 3 K 1.0950383 0.2588146 -0.0006120 0.2588146 1.3938917 -0.0010600 -0.0000295 -0.0000512 1.2253856 4 Nb 7.0818473 -0.6519987 -0.1590295 -0.6519987 7.8347105 0.2754472 -0.0583895 0.1011336 8.6232390 5 Nb 7.0818473 0.6519987 -0.1590295 0.6519987 7.8347105 -0.2754472 -0.0583895 -0.1011336 8.6232390 6 Nb 8.2111422 -0.0000000 0.3180591 0.0000000 6.7054157 0.0000000 0.1167791 -0.0000000 8.6232390 7 B 4.5929502 0.6857815 0.0000000 -0.6857815 4.5929502 0.0000000 0.0000000 0.0000000 0.3802132 8 B 4.5929502 -0.6857815 0.0000000 0.6857815 4.5929502 0.0000000 0.0000000 0.0000000 0.3802132 9 O -1.2403088 0.0620628 0.1516214 0.0620628 -1.3119727 -0.2626160 0.0906022 -0.1569276 -6.6880766 10 O -5.1357598 0.6561206 -0.1386876 1.2585265 -1.8624718 0.0475813 -0.0756814 0.0461624 -1.0790005 11 O -3.5098603 -2.1972400 0.1105504 -1.5948341 -3.4883713 0.0963163 0.0778185 0.0424608 -1.0790005 12 O -4.5024197 -1.7529761 0.0205019 -1.7529761 -2.4782572 -0.0355103 0.0555529 -0.0962205 -1.2560225 13 O -3.5098603 2.1972400 0.1105504 1.5948341 -3.4883713 -0.0963163 0.0778185 -0.0424608 -1.0790005 14 O -1.8517273 0.6375105 0.0281372 1.2399165 -5.1465043 -0.1438976 -0.0021371 -0.0886232 -1.0790005 15 O -1.4661759 -0.0000000 -0.0410037 0.0000000 -5.5145009 0.0000000 -0.1111058 0.0000000 -1.2560225 16 O -4.5024197 1.7529761 0.0205019 1.7529761 -2.4782572 0.0355103 0.0555529 0.0962205 -1.2560225 17 O -5.1357598 -0.6561206 -0.1386876 -1.2585265 -1.8624718 -0.0475813 -0.0756814 -0.0461624 -1.0790005 18 O -1.2403088 -0.0620628 0.1516214 -0.0620628 -1.3119727 0.2626160 0.0906022 0.1569276 -6.6880766 19 O -1.8517273 -0.6375105 0.0281372 -1.2399165 -5.1465043 0.1438976 -0.0021371 0.0886232 -1.0790005 20 O -1.3478046 0.0000000 -0.3032428 0.0000000 -1.2044768 0.0000000 -0.1812044 0.0000000 -6.6880766 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 13 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 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 2.280 ( 0.000 0.000 -0.000) 0.000 2.280 ( 0.000 -0.000 0.000) 0.000 2.529 ( 0.000 0.000 -0.000) 0.000 2.912 ( 0.000 0.000 -0.000) 0.000 2.912 ( 0.000 0.000 -0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.704 ( -0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 -0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 -0.000) 0.000 4.645 ( 0.000 -0.000 0.000) 0.000 4.645 ( 0.000 -0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 -0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 -0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 -0.000 -0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 -0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 -0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 -0.000) 0.000 8.309 ( 0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 -0.000) 0.000 8.565 ( 0.000 -0.000 -0.000) 0.000 9.508 ( 0.000 -0.000 0.000) 0.000 9.508 ( 0.000 0.000 0.000) 0.000 11.695 ( 0.000 0.000 0.000) 0.000 11.824 ( 0.000 0.000 0.000) 0.000 11.824 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 -0.000 0.000) 0.000 16.230 ( 0.000 -0.000 -0.000) 0.000 16.230 ( 0.000 -0.000 0.000) 0.000 16.559 ( 0.000 0.000 0.000) 0.000 17.303 ( 0.000 0.000 0.000) 0.000 18.160 ( 0.000 0.000 0.000) 0.000 18.160 ( 0.000 -0.000 0.000) 0.000 18.572 ( 0.000 0.000 -0.000) 0.000 18.572 ( 0.000 -0.000 0.000) 0.000 19.910 ( -0.000 0.000 -0.000) 0.000 19.971 ( -0.000 0.000 0.000) 0.000 22.613 ( 0.000 0.000 0.000) 0.000 22.613 ( 0.000 -0.000 -0.000) 0.000 31.164 ( 0.000 -0.000 0.000) 0.000 31.539 ( 0.000 0.000 -0.000) 0.000 36.418 ( 0.000 0.000 0.000) 0.000 36.418 ( 0.000 0.000 0.000) 0.000 39.106 ( 0.000 0.000 -0.000) 0.000 39.106 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 16.161 9.331 0.000) 18.661 0.716 ( 31.086 17.948 0.000) 35.896 1.459 ( 60.336 34.835 0.000) 69.670 2.248 ( -4.115 -2.376 0.000) 4.752 2.283 ( 0.233 0.135 0.000) 0.270 2.542 ( 1.456 0.841 0.000) 1.681 2.875 ( -5.516 -3.185 0.000) 6.370 2.905 ( -0.742 -0.428 0.000) 0.857 3.275 ( -0.721 -0.416 0.000) 0.833 3.288 ( 1.531 0.884 0.000) 1.768 3.473 ( -23.687 -13.675 0.000) 27.351 3.655 ( -4.757 -2.746 0.000) 5.493 3.763 ( -2.849 -1.645 0.000) 3.289 3.946 ( 0.212 0.122 0.000) 0.245 4.287 ( 6.214 3.588 0.000) 7.175 4.723 ( 0.742 0.428 0.000) 0.856 4.872 ( 0.421 0.243 0.000) 0.486 5.226 ( 12.345 7.127 0.000) 14.255 5.246 ( 3.635 2.098 0.000) 4.197 5.335 ( 0.318 0.184 0.000) 0.368 5.342 ( 0.951 0.549 0.000) 1.098 5.435 ( -0.427 -0.246 0.000) 0.493 5.444 ( 0.176 0.102 0.000) 0.204 5.736 ( 6.539 3.776 0.000) 7.551 6.023 ( -5.485 -3.167 0.000) 6.333 6.766 ( -5.526 -3.191 0.000) 6.381 7.109 ( 0.855 0.494 0.000) 0.987 7.222 ( 0.885 0.511 0.000) 1.022 7.319 ( 4.780 2.760 0.000) 5.519 7.998 ( -5.452 -3.148 0.000) 6.296 8.052 ( 0.184 0.106 0.000) 0.213 8.218 ( -4.983 -2.877 0.000) 5.754 8.301 ( -0.639 -0.369 0.000) 0.737 8.513 ( -3.376 -1.949 0.000) 3.898 8.553 ( -1.673 -0.966 0.000) 1.932 9.063 ( 3.169 1.830 0.000) 3.660 9.466 ( -3.983 -2.299 0.000) 4.599 10.890 ( -15.657 -9.040 0.000) 18.079 11.680 ( -1.160 -0.670 0.000) 1.340 11.975 ( 12.793 7.386 0.000) 14.772 12.357 ( 1.766 1.020 0.000) 2.039 13.319 ( 0.853 0.492 0.000) 0.985 16.233 ( 0.251 0.145 0.000) 0.290 16.327 ( -0.619 -0.357 0.000) 0.715 16.560 ( 0.097 0.056 0.000) 0.111 17.085 ( -16.993 -9.811 0.000) 19.622 18.209 ( -1.013 -0.585 0.000) 1.169 18.496 ( 0.102 0.059 0.000) 0.118 18.595 ( 3.354 1.936 0.000) 3.873 18.932 ( 8.006 4.622 0.000) 9.244 19.912 ( 0.179 0.103 0.000) 0.206 19.968 ( -0.267 -0.154 0.000) 0.308 22.732 ( 10.408 6.009 0.000) 12.018 24.995 ( -7.958 -4.594 0.000) 9.189 31.189 ( 2.195 1.267 0.000) 2.534 31.539 ( -0.096 -0.056 0.000) 0.111 36.387 ( -2.466 -1.424 0.000) 2.847 37.650 ( 6.263 3.616 0.000) 7.231 39.124 ( 1.622 0.936 0.000) 1.873 41.523 ( -4.752 -2.744 0.000) 5.487 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 13.103 7.565 0.000) 15.130 1.248 ( 14.311 8.262 0.000) 16.525 2.099 ( -6.458 -3.728 0.000) 7.457 2.174 ( -4.605 -2.659 0.000) 5.317 2.288 ( 0.504 0.291 0.000) 0.582 2.637 ( -2.058 -1.188 0.000) 2.377 2.738 ( 8.701 5.024 0.000) 10.047 2.879 ( -1.719 -0.993 0.000) 1.985 3.256 ( 9.098 5.253 0.000) 10.505 3.328 ( 3.968 2.291 0.000) 4.582 3.357 ( 4.009 2.314 0.000) 4.629 3.542 ( -3.598 -2.077 0.000) 4.154 3.713 ( -1.817 -1.049 0.000) 2.098 3.955 ( 0.339 0.196 0.000) 0.391 4.354 ( -1.972 -1.138 0.000) 2.277 4.691 ( -3.201 -1.848 0.000) 3.696 4.955 ( 9.033 5.215 0.000) 10.430 5.243 ( -0.124 -0.072 0.000) 0.144 5.309 ( -0.644 -0.372 0.000) 0.743 5.343 ( 0.133 0.077 0.000) 0.154 5.417 ( 0.106 0.061 0.000) 0.123 5.451 ( 1.899 1.097 0.000) 2.193 5.523 ( 5.253 3.033 0.000) 6.066 5.909 ( -1.155 -0.667 0.000) 1.334 5.990 ( 13.442 7.761 0.000) 15.522 6.622 ( -7.642 -4.412 0.000) 8.825 7.150 ( 3.091 1.784 0.000) 3.569 7.250 ( 1.736 1.002 0.000) 2.005 7.427 ( 3.902 2.253 0.000) 4.505 7.828 ( -8.884 -5.129 0.000) 10.259 8.052 ( -0.306 -0.177 0.000) 0.353 8.113 ( -4.850 -2.800 0.000) 5.600 8.285 ( -0.820 -0.473 0.000) 0.946 8.416 ( -4.605 -2.659 0.000) 5.318 8.494 ( -3.432 -1.981 0.000) 3.962 9.194 ( 8.961 5.174 0.000) 10.348 9.341 ( -7.067 -4.080 0.000) 8.160 10.438 ( -24.872 -14.360 0.000) 28.720 11.673 ( 0.678 0.391 0.000) 0.783 12.289 ( 14.176 8.185 0.000) 16.369 12.408 ( 3.017 1.742 0.000) 3.484 13.338 ( 0.912 0.527 0.000) 1.053 16.240 ( 0.393 0.227 0.000) 0.453 16.309 ( -1.031 -0.596 0.000) 1.191 16.564 ( 0.211 0.122 0.000) 0.243 16.692 ( -17.621 -10.174 0.000) 20.347 18.064 ( -9.246 -5.338 0.000) 10.676 18.519 ( 1.067 0.616 0.000) 1.232 18.733 ( 7.499 4.329 0.000) 8.659 19.135 ( 9.578 5.530 0.000) 11.059 19.918 ( 0.363 0.210 0.000) 0.420 19.960 ( -0.450 -0.260 0.000) 0.520 23.015 ( 14.606 8.433 0.000) 16.866 24.765 ( -12.588 -7.268 0.000) 14.535 31.253 ( 3.545 2.047 0.000) 4.093 31.530 ( -0.842 -0.486 0.000) 0.973 36.333 ( -2.196 -1.268 0.000) 2.535 37.800 ( 6.714 3.876 0.000) 7.753 39.169 ( 2.350 1.357 0.000) 2.713 41.398 ( -6.069 -3.504 0.000) 7.007 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 5.649 3.262 0.000) 6.523 1.178 ( -12.391 -7.154 0.000) 14.308 2.013 ( -1.738 -1.003 0.000) 2.006 2.090 ( 1.793 1.035 0.000) 2.070 2.291 ( -0.030 -0.017 0.000) 0.035 2.616 ( 0.384 0.222 0.000) 0.444 2.803 ( -1.432 -0.827 0.000) 1.653 2.855 ( -0.252 -0.145 0.000) 0.291 3.317 ( 0.479 0.277 0.000) 0.554 3.404 ( 1.818 1.050 0.000) 2.099 3.423 ( -1.246 -0.719 0.000) 1.439 3.637 ( 0.505 0.292 0.000) 0.583 3.824 ( 14.978 8.647 0.000) 17.295 3.953 ( -0.394 -0.227 0.000) 0.455 4.217 ( -8.781 -5.070 0.000) 10.139 4.620 ( -2.264 -1.307 0.000) 2.614 5.163 ( 6.151 3.551 0.000) 7.103 5.237 ( -0.165 -0.095 0.000) 0.191 5.293 ( -0.679 -0.392 0.000) 0.784 5.346 ( 0.162 0.093 0.000) 0.187 5.414 ( -0.121 -0.070 0.000) 0.139 5.512 ( 2.251 1.300 0.000) 2.599 5.586 ( 1.668 0.963 0.000) 1.926 5.994 ( 9.831 5.676 0.000) 11.352 6.208 ( 1.748 1.009 0.000) 2.018 6.457 ( -5.483 -3.165 0.000) 6.331 7.231 ( 3.382 1.953 0.000) 3.906 7.291 ( 1.713 0.989 0.000) 1.978 7.439 ( -2.207 -1.274 0.000) 2.548 7.690 ( -3.172 -1.832 0.000) 3.663 7.998 ( -3.363 -1.941 0.000) 3.883 8.062 ( -0.099 -0.057 0.000) 0.115 8.268 ( -0.613 -0.354 0.000) 0.708 8.359 ( -0.677 -0.391 0.000) 0.781 8.426 ( -2.298 -1.327 0.000) 2.653 9.199 ( -4.381 -2.529 0.000) 5.059 9.453 ( 14.582 8.419 0.000) 16.838 9.907 ( -22.195 -12.814 0.000) 25.628 11.695 ( 0.819 0.473 0.000) 0.946 12.440 ( 1.611 0.930 0.000) 1.860 12.540 ( 5.812 3.355 0.000) 6.711 13.358 ( 0.777 0.448 0.000) 0.897 16.249 ( 0.463 0.267 0.000) 0.534 16.280 ( -1.809 -1.044 0.000) 2.088 16.408 ( -6.875 -3.969 0.000) 7.939 16.569 ( 0.125 0.072 0.000) 0.144 17.908 ( -4.127 -2.383 0.000) 4.766 18.535 ( 0.428 0.247 0.000) 0.495 18.852 ( 2.990 1.726 0.000) 3.452 19.293 ( 4.200 2.425 0.000) 4.850 19.926 ( 0.321 0.185 0.000) 0.370 19.950 ( -0.353 -0.204 0.000) 0.408 23.288 ( 8.423 4.863 0.000) 9.726 24.520 ( -7.834 -4.523 0.000) 9.046 31.323 ( 2.306 1.332 0.000) 2.663 31.506 ( -1.076 -0.621 0.000) 1.242 36.301 ( -0.769 -0.444 0.000) 0.888 37.906 ( 2.730 1.576 0.000) 3.153 39.210 ( 1.126 0.650 0.000) 1.300 41.296 ( -2.742 -1.583 0.000) 3.166 ======================= Grid point 8 (5/80) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 8.264 14.314 0.013) 16.529 0.968 ( 6.654 11.524 -2.198) 13.487 2.170 ( -2.258 -3.910 -4.921) 6.679 2.273 ( -0.665 -1.152 -2.046) 2.440 2.385 ( 26.201 45.381 6.423) 52.794 2.541 ( -1.090 -1.887 -0.072) 2.181 2.810 ( -3.914 -6.780 0.435) 7.841 2.819 ( -3.193 -5.530 -0.242) 6.390 3.115 ( -6.126 -10.610 0.452) 12.260 3.301 ( 0.615 1.065 0.618) 1.376 3.335 ( 1.253 2.171 0.103) 2.509 3.584 ( -2.504 -4.337 -1.070) 5.121 3.724 ( -1.473 -2.551 0.440) 2.978 3.988 ( -0.214 -0.370 -0.610) 0.745 4.299 ( -0.017 -0.029 -2.457) 2.457 4.744 ( 1.253 2.171 -1.220) 2.788 4.907 ( 2.668 4.622 2.678) 5.971 5.251 ( 0.456 0.791 0.054) 0.914 5.311 ( -0.252 -0.436 -1.383) 1.472 5.348 ( 0.379 0.656 -0.640) 0.991 5.405 ( 0.637 1.103 4.411) 4.591 5.446 ( 0.226 0.391 0.396) 0.601 5.486 ( 4.165 7.214 0.639) 8.355 5.899 ( 8.019 13.888 -0.141) 16.038 5.942 ( -2.329 -4.035 -1.100) 4.787 6.668 ( -3.985 -6.903 -0.287) 7.976 7.102 ( 0.098 0.170 -1.988) 1.998 7.257 ( 1.217 2.108 1.693) 2.965 7.407 ( 3.240 5.611 -1.246) 6.598 7.923 ( -3.306 -5.726 3.076) 7.292 8.023 ( -1.314 -2.276 -5.002) 5.651 8.154 ( -1.791 -3.102 2.734) 4.507 8.289 ( -0.434 -0.751 0.512) 1.007 8.439 ( -2.810 -4.867 1.450) 5.804 8.543 ( -0.908 -1.572 -4.026) 4.417 9.094 ( 1.818 3.149 1.340) 3.875 9.391 ( -3.322 -5.754 0.450) 6.659 10.558 ( -14.042 -24.322 0.367) 28.087 11.685 ( -0.374 -0.648 -1.003) 1.252 12.223 ( 10.276 17.799 0.570) 20.560 12.399 ( 2.296 3.977 -0.036) 4.592 13.309 ( -0.954 -1.653 3.275) 3.791 16.239 ( 0.246 0.427 -0.784) 0.926 16.315 ( -0.504 -0.873 -1.187) 1.557 16.563 ( 0.136 0.235 -0.926) 0.965 16.799 ( -10.585 -18.334 -0.063) 21.171 18.182 ( -2.937 -5.088 -0.228) 5.879 18.385 ( -3.514 -6.087 -0.624) 7.056 18.754 ( 6.295 10.903 0.410) 12.596 19.081 ( 6.058 10.493 0.473) 12.126 19.916 ( 0.186 0.321 0.012) 0.371 19.962 ( -0.243 -0.421 -0.001) 0.486 22.939 ( 8.771 15.192 -0.167) 17.543 24.819 ( -7.987 -13.834 0.529) 15.982 31.234 ( 2.006 3.474 0.013) 4.012 31.534 ( -0.354 -0.613 -0.016) 0.708 36.311 ( -3.214 -5.567 -0.061) 6.428 37.827 ( 7.835 13.571 -0.064) 15.671 39.141 ( 0.446 0.773 -0.018) 0.893 41.420 ( -4.358 -7.548 0.076) 8.716 ======================= Grid point 9 (6/80) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 6.848 8.577 1.910) 11.140 1.190 ( 13.595 2.629 -3.015) 14.172 2.067 ( -5.548 -1.731 -5.610) 8.077 2.231 ( -9.136 -1.755 -5.777) 10.951 2.305 ( -15.982 2.712 7.168) 17.724 2.616 ( -1.967 -4.034 0.096) 4.489 2.811 ( 3.319 -1.487 0.097) 3.638 2.890 ( -3.807 6.633 0.690) 7.679 3.214 ( 22.144 -11.895 0.274) 25.138 3.318 ( 0.388 0.506 0.501) 0.811 3.397 ( 2.290 3.479 0.151) 4.168 3.568 ( 4.287 2.565 -0.353) 5.008 3.683 ( 0.423 -1.974 0.819) 2.179 3.931 ( -1.705 -6.131 -0.041) 6.364 4.253 ( -2.548 -5.002 -0.235) 5.618 4.787 ( -5.673 13.110 -3.439) 14.693 5.090 ( 10.024 7.280 -4.173) 13.072 5.267 ( -0.275 2.361 2.429) 3.398 5.297 ( -0.436 -0.844 -0.578) 1.112 5.354 ( -0.729 0.897 0.040) 1.157 5.413 ( 0.420 -0.132 2.862) 2.896 5.471 ( 2.687 0.802 2.312) 3.634 5.573 ( 1.760 1.878 2.809) 3.810 5.938 ( 3.516 4.795 -1.426) 6.115 6.173 ( 7.987 10.290 0.906) 13.058 6.517 ( -6.649 -6.770 0.367) 9.496 7.139 ( 4.908 -0.616 -2.493) 5.539 7.281 ( -0.116 -0.129 2.150) 2.157 7.464 ( -0.858 0.327 -1.591) 1.837 7.820 ( -6.591 4.424 0.512) 7.954 7.984 ( 0.232 -4.251 -6.287) 7.593 8.108 ( -2.386 0.902 4.176) 4.893 8.276 ( -0.547 -0.399 -0.037) 0.679 8.371 ( -1.049 -1.090 2.112) 2.598 8.482 ( -5.106 -0.132 -2.327) 5.613 9.203 ( 5.494 -1.764 1.003) 5.857 9.289 ( 2.243 -2.130 0.779) 3.190 10.050 ( -18.228 -25.280 0.729) 31.175 11.668 ( 0.348 -1.780 -3.132) 3.619 12.493 ( 1.326 9.697 1.722) 9.938 12.538 ( 6.206 14.752 1.030) 16.037 13.270 ( 2.356 -7.917 3.846) 9.112 16.248 ( 0.296 0.554 -1.145) 1.306 16.296 ( -1.005 -0.723 -1.449) 1.906 16.482 ( -9.597 -10.847 -0.293) 14.486 16.568 ( 0.157 0.229 -1.102) 1.137 18.021 ( -10.145 -0.167 -0.317) 10.151 18.343 ( 7.550 -13.257 -1.200) 15.304 18.931 ( 1.662 11.424 0.274) 11.547 19.271 ( 5.058 8.252 0.848) 9.715 19.923 ( 0.316 0.392 0.011) 0.504 19.953 ( -0.357 -0.463 -0.002) 0.584 23.251 ( 9.605 16.504 0.160) 19.097 24.521 ( -8.234 -18.487 0.620) 20.247 31.308 ( 2.551 3.801 0.027) 4.578 31.512 ( -1.077 -1.576 0.007) 1.910 36.219 ( 0.809 -8.731 -0.074) 8.769 38.075 ( -0.357 23.102 -0.080) 23.105 39.147 ( 2.358 -4.512 -0.058) 5.092 41.281 ( -2.613 -8.188 0.085) 8.595 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -1.156 2.003 2.816) 3.644 1.383 ( -14.851 25.723 -4.059) 29.979 1.966 ( 5.201 -9.009 -8.000) 13.123 2.028 ( -1.588 2.750 -0.681) 3.248 2.263 ( 1.993 -3.452 5.145) 6.508 2.586 ( 2.883 -4.994 -0.721) 5.811 2.843 ( 0.760 -1.316 -0.081) 1.522 2.863 ( -3.131 5.422 0.441) 6.277 3.296 ( 8.485 -14.696 -0.259) 16.971 3.323 ( -0.190 0.330 0.056) 0.385 3.442 ( -1.441 2.496 0.182) 2.888 3.609 ( 1.602 -2.775 -0.236) 3.213 3.763 ( 5.591 -9.684 1.302) 11.258 3.854 ( 4.138 -7.168 0.652) 8.302 4.191 ( -1.273 2.205 0.737) 2.650 4.803 ( -10.345 17.918 -5.182) 21.329 5.206 ( -0.324 0.561 -4.224) 4.273 5.285 ( 0.214 -0.371 0.194) 0.470 5.290 ( -2.060 3.568 2.346) 4.741 5.348 ( -0.028 0.049 -1.081) 1.083 5.415 ( -0.135 0.234 2.871) 2.884 5.507 ( 1.025 -1.775 0.251) 2.065 5.599 ( 0.171 -0.296 3.387) 3.404 6.097 ( -1.199 2.076 1.074) 2.627 6.228 ( -2.426 4.202 1.276) 5.017 6.413 ( 1.140 -1.975 1.056) 2.513 7.230 ( 1.015 -1.757 1.153) 2.334 7.236 ( 2.716 -4.704 -2.415) 5.944 7.433 ( -0.367 0.635 -1.762) 1.908 7.797 ( -5.616 9.727 0.398) 11.239 7.962 ( 0.428 -0.741 -5.734) 5.798 8.096 ( -1.391 2.410 2.873) 3.999 8.268 ( -0.151 0.261 -0.366) 0.475 8.385 ( -1.826 3.163 0.603) 3.702 8.410 ( 0.018 -0.032 0.836) 0.837 9.167 ( 0.051 -0.089 0.929) 0.935 9.517 ( 3.573 -6.188 0.232) 7.149 9.612 ( 6.996 -12.118 1.198) 14.043 11.664 ( 1.638 -2.837 -3.872) 5.072 12.560 ( -6.172 10.690 2.744) 12.645 12.657 ( -4.494 7.784 1.201) 9.068 13.254 ( 6.228 -10.788 3.667) 12.985 16.260 ( -0.314 0.544 -2.121) 2.212 16.268 ( -0.157 0.271 -0.825) 0.882 16.352 ( 1.232 -2.134 -0.291) 2.482 16.571 ( -0.066 0.114 -1.121) 1.129 17.931 ( -2.546 4.409 -0.332) 5.102 18.345 ( 8.370 -14.497 -1.418) 16.799 19.000 ( -4.920 8.521 0.234) 9.842 19.356 ( -2.128 3.686 0.950) 4.361 19.929 ( -0.110 0.191 0.005) 0.221 19.946 ( 0.131 -0.226 -0.002) 0.261 23.443 ( -6.529 11.308 0.387) 13.063 24.329 ( 8.484 -14.695 0.571) 16.978 31.357 ( -1.259 2.180 0.031) 2.517 31.488 ( 0.758 -1.312 0.021) 1.515 36.184 ( 5.025 -8.703 -0.076) 10.049 38.189 ( -13.984 24.221 -0.079) 27.969 39.142 ( 4.783 -8.284 -0.079) 9.566 41.217 ( 3.330 -5.767 0.083) 6.660 ======================= Grid point 17 (8/80) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 2.129 3.688 4.278) 6.037 1.580 ( 19.870 34.416 -5.565) 40.129 2.045 ( -1.093 -1.893 -12.648) 12.836 2.165 ( -3.114 -5.394 -4.524) 7.699 2.300 ( -6.531 -11.312 2.878) 13.375 2.308 ( -9.294 -16.098 7.961) 20.221 2.809 ( -0.107 -0.185 -0.301) 0.369 2.959 ( -0.209 -0.362 0.201) 0.464 3.028 ( -1.733 -3.001 0.038) 3.466 3.327 ( 0.145 0.251 0.281) 0.404 3.477 ( 2.537 4.394 0.315) 5.083 3.571 ( -1.501 -2.600 0.526) 3.048 3.678 ( 1.336 2.314 1.163) 2.915 3.783 ( -4.058 -7.029 0.707) 8.147 4.215 ( -0.168 -0.291 1.059) 1.111 5.070 ( 6.804 11.786 -7.835) 15.703 5.186 ( 1.927 3.338 -7.042) 8.028 5.281 ( -0.226 -0.391 -0.362) 0.579 5.302 ( 0.457 0.791 -3.196) 3.323 5.355 ( -0.732 -1.268 -2.877) 3.228 5.421 ( 0.607 1.051 6.733) 6.841 5.468 ( -0.836 -1.449 8.116) 8.287 5.588 ( 0.077 0.134 4.784) 4.786 6.093 ( 5.821 10.083 1.241) 11.709 6.319 ( 2.157 3.736 2.247) 4.864 6.375 ( -4.298 -7.445 1.729) 8.768 7.160 ( 1.514 2.623 -2.715) 4.067 7.230 ( -2.415 -4.183 0.367) 4.845 7.442 ( -0.877 -1.520 -2.132) 2.761 7.915 ( 2.000 3.464 -1.061) 4.138 7.952 ( 0.215 0.373 -4.572) 4.592 8.122 ( 0.221 0.383 0.934) 1.034 8.271 ( -0.090 -0.156 -0.335) 0.380 8.394 ( 1.916 3.319 2.412) 4.528 8.463 ( -1.440 -2.494 0.047) 2.880 9.241 ( 1.078 1.867 1.322) 2.529 9.256 ( 3.224 5.584 1.223) 6.563 9.572 ( -13.746 -23.808 1.037) 27.511 11.632 ( -0.733 -1.269 -5.121) 5.326 12.699 ( 6.534 11.317 2.753) 13.355 12.772 ( 3.869 6.701 1.875) 7.962 13.081 ( -5.736 -9.935 5.735) 12.826 16.261 ( 0.568 0.985 -1.881) 2.198 16.283 ( -0.414 -0.716 -2.150) 2.304 16.327 ( -2.833 -4.908 -0.404) 5.681 16.572 ( 0.077 0.134 -1.541) 1.548 18.028 ( 0.229 0.396 -0.901) 1.010 18.143 ( -3.636 -6.299 -1.470) 7.420 19.085 ( 2.546 4.409 0.043) 5.092 19.397 ( 2.349 4.069 1.360) 4.891 19.932 ( 0.277 0.479 0.004) 0.553 19.943 ( -0.298 -0.517 -0.003) 0.597 23.606 ( 11.547 20.001 0.576) 23.102 24.125 ( -12.478 -21.613 0.813) 24.970 31.385 ( 2.292 3.970 0.043) 4.584 31.469 ( -1.678 -2.906 0.033) 3.356 36.089 ( -2.317 -4.014 -0.103) 4.636 38.527 ( 12.505 21.659 -0.120) 25.010 38.984 ( -7.098 -12.295 -0.111) 14.197 41.149 ( -2.556 -4.427 0.119) 5.113 ======================= Grid point 55 (9/80) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 -0.000 24.940) 24.940 0.437 ( 0.000 -0.000 24.940) 24.940 1.547 ( 0.000 0.000 73.994) 73.994 2.542 ( 0.000 0.000 1.253) 1.253 2.716 ( 0.000 0.000 29.012) 29.012 2.716 ( 0.000 -0.000 29.012) 29.012 2.949 ( 0.000 -0.000 11.465) 11.465 2.949 ( 0.000 -0.000 11.465) 11.465 3.277 ( 0.000 0.000 1.264) 1.264 3.277 ( 0.000 -0.000 1.264) 1.264 3.756 ( 0.000 0.000 1.036) 1.036 3.886 ( 0.000 0.000 -3.058) 3.058 3.953 ( -0.000 -0.000 2.596) 2.596 3.953 ( 0.000 0.000 2.596) 2.596 3.961 ( 0.000 0.000 14.961) 14.961 4.492 ( 0.000 -0.000 -13.178) 13.178 4.492 ( -0.000 0.000 -13.178) 13.178 4.700 ( 0.000 -0.000 -22.613) 22.613 5.260 ( 0.000 -0.000 -11.243) 11.243 5.260 ( 0.000 0.000 -11.243) 11.243 5.585 ( 0.000 -0.000 15.844) 15.844 5.585 ( 0.000 0.000 15.844) 15.844 5.895 ( 0.000 0.000 15.548) 15.548 5.907 ( 0.000 0.000 -26.796) 26.796 6.157 ( 0.000 0.000 -12.622) 12.622 7.084 ( 0.000 0.000 -9.594) 9.594 7.084 ( 0.000 0.000 -9.594) 9.594 7.295 ( 0.000 -0.000 14.372) 14.372 7.295 ( 0.000 0.000 14.372) 14.372 7.770 ( 0.000 0.000 34.136) 34.136 8.253 ( 0.000 0.000 16.993) 16.993 8.253 ( 0.000 0.000 16.993) 16.993 8.343 ( -0.000 -0.000 5.961) 5.961 8.779 ( 0.000 0.000 20.810) 20.810 8.779 ( 0.000 -0.000 20.810) 20.810 9.500 ( 0.000 0.000 -0.652) 0.652 9.500 ( -0.000 -0.000 -0.652) 0.652 10.302 ( 0.000 0.000 6.726) 6.726 11.660 ( 0.000 0.000 -5.976) 5.976 11.800 ( 0.000 -0.000 -2.461) 2.461 11.800 ( 0.000 -0.000 -2.461) 2.461 12.379 ( 0.000 0.000 -0.355) 0.355 16.467 ( 0.000 -0.000 23.180) 23.180 16.467 ( 0.000 0.000 23.180) 23.180 17.264 ( 0.000 0.000 -3.960) 3.960 18.150 ( 0.000 -0.000 -1.061) 1.061 18.150 ( 0.000 0.000 -1.061) 1.061 18.548 ( 0.000 0.000 -2.386) 2.386 18.548 ( 0.000 -0.000 -2.386) 2.386 19.939 ( 0.000 0.000 2.972) 2.972 19.992 ( 0.000 0.000 3.977) 3.977 22.748 ( 0.000 0.000 14.088) 14.088 22.748 ( 0.000 0.000 14.088) 14.088 25.070 ( 0.000 0.000 5.490) 5.490 31.143 ( 0.000 0.000 -2.029) 2.029 31.534 ( 0.000 -0.000 -0.712) 0.712 36.396 ( 0.000 0.000 -2.129) 2.129 36.396 ( -0.000 -0.000 -2.129) 2.129 39.034 ( 0.000 0.000 -7.229) 7.229 39.034 ( 0.000 0.000 -7.229) 7.229 ======================= Grid point 56 (10/80) ======================= q-point: ( 0.14 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 25.979 8.369 11.444) 29.596 1.124 ( 12.727 12.422 34.671) 38.967 1.686 ( 31.210 18.098 41.183) 54.751 2.548 ( 0.841 0.261 1.677) 1.894 2.670 ( -3.542 -0.976 27.305) 27.551 2.714 ( -0.026 -2.118 26.684) 26.768 2.912 ( -4.233 -2.537 11.689) 12.688 2.935 ( -1.186 -0.539 9.888) 9.974 3.266 ( -3.867 -1.765 0.943) 4.354 3.304 ( 1.900 1.965 2.566) 3.749 3.491 ( -19.548 -9.454 1.438) 21.762 3.690 ( -4.406 -4.133 2.292) 6.461 3.875 ( -2.184 -0.628 11.368) 11.592 3.958 ( 1.281 -1.096 1.780) 2.452 4.137 ( 8.240 3.026 -2.065) 9.018 4.523 ( -0.175 -1.370 -17.638) 17.692 4.598 ( 7.452 4.334 -15.236) 17.505 4.981 ( 15.818 12.361 -17.152) 26.404 5.229 ( -2.364 -1.495 -11.144) 11.489 5.279 ( 1.143 1.717 -10.318) 10.522 5.521 ( -2.911 -3.226 6.121) 7.506 5.603 ( 0.392 1.905 15.236) 15.360 5.771 ( -6.059 -2.566 11.366) 13.133 5.920 ( 3.360 1.445 13.958) 14.429 6.063 ( -7.207 -4.940 -12.353) 15.131 6.901 ( -11.283 -4.670 24.931) 27.761 7.085 ( 0.898 -1.531 -5.748) 6.016 7.132 ( 2.621 0.874 -3.003) 4.081 7.350 ( 4.811 2.083 10.614) 11.838 8.133 ( -3.200 -1.850 13.776) 14.264 8.195 ( -1.970 1.836 14.653) 14.898 8.282 ( -2.950 -0.626 7.193) 7.799 8.357 ( 11.312 1.905 10.859) 15.796 8.740 ( -2.471 0.473 21.283) 21.431 8.808 ( 0.684 -1.929 21.996) 22.091 9.216 ( -9.441 -4.934 9.443) 14.236 9.461 ( -3.913 -1.570 -0.289) 4.226 10.674 ( 3.981 2.458 -12.678) 13.513 11.546 ( -3.603 -0.718 -9.825) 10.490 11.940 ( 11.537 7.386 -3.481) 14.134 12.182 ( 23.743 9.925 -21.412) 33.478 12.436 ( 6.623 7.487 -8.605) 13.189 16.462 ( 0.080 -0.667 22.129) 22.139 16.476 ( 0.193 0.464 22.512) 22.517 17.052 ( -16.519 -9.529 -3.329) 19.359 17.991 ( -16.505 -10.460 19.811) 27.826 18.200 ( -0.322 -0.648 -0.865) 1.128 18.502 ( -0.650 -2.644 -0.995) 2.899 18.582 ( 3.168 3.983 -1.331) 5.261 19.942 ( 0.213 0.135 3.029) 3.040 19.981 ( -1.786 -0.995 7.250) 7.532 20.551 ( -88.385 -50.396 118.341) 156.065 22.862 ( 10.294 5.156 13.546) 17.778 25.037 ( -6.853 -3.200 4.957) 9.043 31.166 ( 2.014 1.173 -2.222) 3.220 31.507 ( -0.846 -0.526 -2.343) 2.545 36.367 ( -2.274 -1.434 -1.942) 3.316 37.279 ( 27.618 15.903 -29.558) 43.466 39.045 ( 1.016 0.587 -7.898) 7.984 40.104 ( 57.009 33.024 -71.590) 97.292 ======================= Grid point 57 (11/80) ======================= q-point: ( 0.29 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 4.379 1.020 18.127) 18.676 1.408 ( 14.667 7.791 32.565) 36.556 2.006 ( -10.148 -6.739 1.088) 12.230 2.553 ( -1.377 -0.567 11.038) 11.138 2.637 ( -4.879 -3.268 21.207) 22.005 2.740 ( 1.133 -0.136 9.357) 9.427 2.812 ( 3.883 -0.376 15.119) 15.614 2.917 ( -1.715 1.515 14.819) 14.995 3.244 ( 11.162 8.231 1.254) 13.925 3.355 ( 2.868 2.644 5.016) 6.354 3.415 ( 2.555 2.131 5.608) 6.520 3.586 ( -2.100 -2.732 4.081) 5.342 3.843 ( -1.290 -0.584 12.988) 13.065 3.974 ( 1.017 -0.118 2.642) 2.834 4.209 ( -1.249 -1.620 -7.804) 8.068 4.495 ( -0.245 -3.565 -17.327) 17.692 4.787 ( 11.167 4.750 -12.500) 17.422 5.161 ( -0.361 0.977 -14.670) 14.707 5.255 ( 3.538 5.142 -7.048) 9.414 5.329 ( 2.635 2.901 -7.928) 8.844 5.488 ( -0.789 0.305 3.771) 3.865 5.573 ( -4.432 -0.091 7.988) 9.136 5.749 ( 1.728 0.849 20.149) 20.240 5.911 ( -2.163 -2.773 -5.165) 6.249 6.086 ( 11.295 6.298 9.853) 16.258 6.743 ( -6.929 -3.124 20.948) 22.285 7.102 ( 1.492 0.632 -4.931) 5.191 7.209 ( 4.302 2.419 -2.247) 5.423 7.453 ( 4.982 1.391 6.741) 8.497 7.944 ( -10.447 -6.062 13.207) 17.897 8.129 ( -2.073 -7.285 9.902) 12.466 8.209 ( -5.859 2.093 10.203) 11.950 8.466 ( 0.934 -1.315 15.043) 15.130 8.692 ( -3.862 -0.593 23.134) 23.462 8.757 ( -1.495 -3.106 23.139) 23.394 9.228 ( 7.052 5.555 4.113) 9.874 9.356 ( -5.900 -2.429 1.779) 6.624 10.415 ( -22.142 -11.782 -1.606) 25.133 11.539 ( 2.362 -1.007 -11.630) 11.910 12.224 ( 12.223 8.040 -6.501) 16.009 12.387 ( 3.387 2.168 -2.463) 4.716 12.806 ( 15.400 13.364 -31.459) 37.489 16.449 ( -1.713 -1.652 17.354) 17.516 16.469 ( -1.109 -1.018 19.565) 19.623 16.688 ( -13.887 -8.610 1.591) 16.417 17.524 ( -19.118 -13.503 51.631) 56.688 18.077 ( -7.831 -4.697 1.574) 9.267 18.511 ( 2.314 -1.330 -0.816) 2.791 18.730 ( 7.096 5.747 -0.200) 9.133 19.646 ( -11.050 -4.993 58.477) 59.721 19.949 ( 0.420 0.263 3.202) 3.240 19.997 ( -0.985 -0.573 4.130) 4.285 23.133 ( 14.074 7.953 12.338) 20.336 24.826 ( -12.259 -6.207 6.690) 15.283 31.225 ( 3.256 1.912 -2.709) 4.647 31.491 ( -0.879 -0.517 -3.474) 3.621 36.316 ( -2.043 -1.298 -1.662) 2.936 37.631 ( 10.209 5.803 -15.763) 19.657 39.074 ( 1.578 0.856 -9.493) 9.661 40.803 ( 14.153 8.303 -49.977) 52.602 ======================= Grid point 58 (12/80) ======================= q-point: ( 0.43 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -7.339 -8.291 -4.058) 11.792 1.453 ( -4.534 0.681 45.744) 45.973 1.957 ( 7.354 -0.126 -2.765) 7.858 2.471 ( -3.538 -2.623 30.610) 30.925 2.608 ( 1.605 -0.218 1.314) 2.086 2.700 ( -2.508 -0.157 9.961) 10.273 2.849 ( 1.340 -0.466 4.139) 4.375 2.892 ( -2.045 0.055 20.976) 21.075 3.356 ( 1.025 0.608 4.058) 4.230 3.430 ( -0.800 -1.261 1.544) 2.148 3.489 ( 2.463 1.955 8.603) 9.159 3.718 ( 7.965 4.786 5.653) 10.877 3.850 ( 4.054 3.853 7.944) 9.716 3.976 ( -1.034 0.445 2.804) 3.022 4.093 ( -7.679 -4.259 -6.440) 10.890 4.453 ( 1.226 -5.513 -15.273) 16.284 4.962 ( 5.246 -0.085 -14.983) 15.875 5.167 ( 0.015 0.791 -13.985) 14.008 5.317 ( 1.232 0.952 -2.793) 3.198 5.400 ( 0.261 4.307 -0.764) 4.382 5.475 ( -2.662 3.243 -6.022) 7.340 5.553 ( 2.298 1.083 5.145) 5.738 5.696 ( -3.037 -4.997 12.333) 13.649 6.063 ( 11.545 7.946 12.229) 18.600 6.318 ( 7.731 6.150 9.436) 13.661 6.567 ( -10.470 -4.713 17.768) 21.155 7.133 ( 0.388 1.749 -6.907) 7.135 7.291 ( 3.240 0.355 -2.179) 3.921 7.514 ( 2.260 -1.216 7.897) 8.303 7.759 ( -4.953 -3.391 13.470) 14.747 8.011 ( -2.574 -5.757 4.346) 7.659 8.177 ( -0.233 1.161 11.022) 11.085 8.413 ( -2.822 -2.815 13.027) 13.623 8.642 ( -1.562 0.312 22.982) 23.037 8.724 ( -1.073 0.023 25.810) 25.832 9.253 ( -3.099 -0.711 5.967) 6.761 9.480 ( 14.102 9.001 3.130) 17.020 9.919 ( -22.112 -11.502 1.492) 24.969 11.570 ( 3.033 -2.914 -10.949) 11.729 12.414 ( 2.624 4.190 -4.716) 6.833 12.446 ( 1.600 2.927 -6.780) 7.556 13.062 ( 4.415 6.784 -22.449) 23.864 16.304 ( -6.651 -3.872 -0.457) 7.709 16.455 ( 0.660 -1.754 19.432) 19.522 16.555 ( -0.620 -1.307 17.160) 17.220 17.240 ( -5.235 -5.400 50.215) 50.775 17.944 ( -3.460 -2.108 4.161) 5.808 18.530 ( 1.820 -1.940 -0.405) 2.691 18.855 ( 2.586 2.806 0.419) 3.839 19.582 ( -0.503 1.365 33.980) 34.011 19.958 ( 0.348 0.213 3.316) 3.341 19.984 ( -0.373 -0.227 3.372) 3.400 23.393 ( 7.865 4.907 11.141) 14.493 24.595 ( -7.749 -3.693 7.971) 11.714 31.289 ( 2.078 1.246 -3.254) 4.057 31.468 ( -0.975 -0.538 -3.511) 3.684 36.285 ( -0.686 -0.512 -1.517) 1.742 37.775 ( 3.389 1.864 -12.365) 12.956 39.102 ( 0.820 0.372 -10.821) 10.859 40.945 ( 1.954 1.249 -33.359) 33.439 ======================= Grid point 63 (13/80) ======================= q-point: ( 0.14 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 4.009 6.944 3.109) 8.600 1.248 ( 3.476 6.020 51.068) 51.538 2.238 ( 9.593 16.615 12.821) 23.075 2.522 ( -2.595 -4.494 4.119) 6.625 2.638 ( -1.142 -1.978 17.340) 17.490 2.726 ( 5.154 8.927 11.643) 15.550 2.845 ( -3.238 -5.608 5.905) 8.764 2.898 ( 1.049 1.817 22.761) 22.858 3.155 ( -4.613 -7.990 8.429) 12.497 3.330 ( 0.882 1.528 2.541) 3.093 3.396 ( 1.519 2.631 6.319) 7.011 3.604 ( -2.213 -3.833 2.888) 5.285 3.846 ( -1.050 -1.819 11.313) 11.506 3.978 ( -0.310 -0.537 0.237) 0.663 4.158 ( 0.472 0.817 -3.599) 3.721 4.514 ( 0.537 0.930 -19.106) 19.137 4.724 ( 4.497 7.789 -14.824) 17.339 5.187 ( -1.102 -1.909 -12.547) 12.739 5.202 ( 4.001 6.929 -10.530) 13.225 5.349 ( 3.252 5.633 -8.747) 10.900 5.494 ( 0.582 1.008 4.961) 5.096 5.643 ( 0.556 0.963 12.216) 12.267 5.706 ( -1.535 -2.659 15.911) 16.204 5.944 ( -3.251 -5.631 -5.204) 8.328 6.009 ( 5.641 9.770 10.644) 15.511 6.799 ( -3.192 -5.528 24.218) 25.045 7.071 ( 0.106 0.183 -0.978) 1.001 7.167 ( 1.849 3.202 -6.753) 7.699 7.447 ( 3.846 6.661 6.940) 10.359 8.064 ( -4.038 -6.994 11.162) 13.777 8.066 ( -5.378 -9.314 10.586) 15.091 8.287 ( -1.147 -1.987 11.085) 11.320 8.419 ( 1.315 2.278 12.666) 12.936 8.743 ( -0.282 -0.488 22.486) 22.493 8.750 ( -1.960 -3.395 23.463) 23.789 9.165 ( 0.961 1.665 6.035) 6.334 9.402 ( -2.693 -4.664 0.884) 5.458 10.524 ( -10.795 -18.698 -2.624) 21.749 11.533 ( -0.916 -1.587 -12.166) 12.303 12.185 ( 9.936 17.210 -4.288) 20.329 12.347 ( 4.221 7.311 -7.227) 11.113 12.722 ( 10.348 17.924 -29.678) 36.182 16.447 ( -0.584 -1.012 20.514) 20.548 16.479 ( -0.154 -0.267 20.890) 20.892 16.773 ( -10.208 -17.681 -2.232) 20.538 17.616 ( -14.092 -24.408 47.059) 54.854 18.176 ( -2.464 -4.268 -0.064) 4.928 18.386 ( -3.291 -5.700 0.499) 6.600 18.748 ( 6.254 10.832 -0.986) 12.547 19.747 ( -10.749 -18.619 71.392) 74.559 19.947 ( 0.224 0.388 3.113) 3.145 20.005 ( -1.246 -2.157 6.353) 6.824 23.058 ( 8.601 14.897 12.632) 21.341 24.886 ( -7.335 -12.704 6.684) 16.120 31.208 ( 1.870 3.239 -2.542) 4.522 31.495 ( -0.443 -0.767 -3.355) 3.470 36.295 ( -3.018 -5.227 -1.478) 6.214 37.628 ( 10.691 18.517 -18.489) 28.267 39.048 ( -0.185 -0.321 -9.256) 9.264 40.692 ( 12.000 20.785 -56.898) 61.753 ======================= Grid point 64 (14/80) ======================= q-point: ( 0.29 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 7.182 3.786 -1.572) 8.269 1.422 ( 8.979 4.490 45.214) 46.315 2.063 ( -23.760 0.439 4.105) 24.116 2.475 ( 2.254 -9.776 13.553) 16.862 2.599 ( -3.118 0.469 16.415) 16.715 2.717 ( -2.951 -1.738 12.091) 12.566 2.818 ( 2.223 -0.973 1.900) 3.082 2.962 ( -6.093 3.353 12.820) 14.585 3.240 ( 16.289 -11.086 4.315) 20.170 3.358 ( 0.918 1.118 3.719) 3.991 3.482 ( 2.845 5.631 9.751) 11.614 3.618 ( 5.260 4.955 5.544) 9.108 3.812 ( -0.139 -2.758 12.609) 12.908 3.934 ( -0.304 -6.360 0.873) 6.427 4.130 ( -2.270 -3.472 -5.567) 6.943 4.544 ( -4.005 9.170 -18.550) 21.077 4.881 ( 7.133 3.597 -14.487) 16.543 5.169 ( -0.125 0.348 -14.323) 14.327 5.268 ( 2.314 -1.091 -5.316) 5.900 5.449 ( 2.324 5.647 -5.337) 8.110 5.481 ( -1.597 -2.076 -0.289) 2.635 5.615 ( -3.418 2.779 6.962) 8.238 5.736 ( -1.391 1.939 15.697) 15.877 5.960 ( 9.229 8.433 8.517) 15.127 6.256 ( 9.351 11.150 7.914) 16.565 6.677 ( -7.295 -4.327 21.359) 22.982 7.103 ( 4.217 -0.597 0.167) 4.262 7.224 ( 1.662 0.591 -5.515) 5.790 7.537 ( -0.798 4.411 7.624) 8.845 7.869 ( -8.123 -1.463 8.057) 11.534 7.957 ( -0.860 -9.378 5.719) 11.018 8.228 ( -3.757 -0.578 9.273) 10.021 8.413 ( -0.687 -3.188 12.811) 13.220 8.695 ( -3.143 1.673 23.808) 24.073 8.739 ( -0.251 0.088 24.974) 24.975 9.261 ( 4.089 -0.162 5.427) 6.797 9.332 ( 3.793 -0.527 3.912) 5.474 10.075 ( -17.589 -23.018 2.118) 29.046 11.504 ( 0.598 -3.060 -11.755) 12.161 12.461 ( 2.925 13.529 -6.882) 15.458 12.493 ( 3.621 10.844 -3.755) 12.034 12.979 ( 8.781 3.870 -23.006) 24.927 16.391 ( -6.878 -4.975 5.506) 10.117 16.446 ( -2.336 -0.986 18.370) 18.544 16.525 ( -0.723 -7.320 11.664) 13.790 17.258 ( -7.407 -12.220 49.054) 51.093 18.043 ( -8.535 -0.052 2.998) 9.047 18.341 ( 6.504 -11.987 1.304) 13.700 18.925 ( 2.065 10.830 -0.875) 11.060 19.622 ( -1.080 2.106 39.640) 39.711 19.955 ( 0.360 0.422 3.242) 3.289 19.986 ( -0.415 -0.543 3.410) 3.478 23.365 ( 9.285 16.608 11.840) 22.410 24.606 ( -8.082 -17.187 8.333) 20.740 31.277 ( 2.336 3.613 -3.030) 5.262 31.473 ( -0.975 -1.532 -3.612) 4.043 36.209 ( 0.718 -8.156 -0.926) 8.240 37.925 ( 0.898 23.274 -14.195) 27.276 39.033 ( 2.047 -5.931 -11.247) 12.879 40.893 ( 3.894 0.993 -35.840) 36.065 ======================= Grid point 65 (15/80) ======================= q-point: ( 0.43 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -15.297 26.495 -6.564) 31.290 1.510 ( -2.303 3.989 47.693) 47.915 1.809 ( 6.128 -10.615 -1.359) 12.332 2.415 ( 2.990 -5.178 23.812) 24.551 2.590 ( 0.411 -0.712 4.469) 4.544 2.692 ( 1.946 -3.371 20.532) 20.898 2.841 ( 0.890 -1.541 -0.039) 1.780 2.910 ( -1.911 3.310 11.961) 12.556 3.292 ( 8.390 -14.532 0.201) 16.781 3.368 ( -0.394 0.682 4.534) 4.602 3.544 ( -2.283 3.955 11.086) 11.990 3.718 ( 1.334 -2.310 7.621) 8.074 3.817 ( 3.569 -6.181 9.406) 11.808 3.877 ( 3.963 -6.865 2.265) 8.244 4.079 ( -1.109 1.921 -5.823) 6.231 4.551 ( -7.495 12.982 -18.019) 23.439 4.959 ( 1.042 -1.806 -17.748) 17.870 5.174 ( -0.343 0.593 -13.444) 13.461 5.280 ( 1.691 -2.929 -4.484) 5.617 5.450 ( 0.396 -0.686 -1.578) 1.766 5.518 ( 0.609 -1.056 -9.836) 9.911 5.595 ( -2.881 4.989 7.531) 9.482 5.705 ( -3.036 5.258 18.149) 19.138 6.198 ( -2.893 5.012 15.171) 16.237 6.416 ( -1.455 2.520 13.540) 13.849 6.518 ( -0.679 1.176 15.080) 15.141 7.171 ( -0.646 1.119 -4.747) 4.920 7.212 ( 3.506 -6.073 0.571) 7.036 7.521 ( -1.324 2.294 8.886) 9.273 7.815 ( -3.598 6.232 6.211) 9.506 7.901 ( 2.836 -4.913 2.641) 6.257 8.187 ( 0.144 -0.250 7.634) 7.639 8.380 ( 0.374 -0.648 11.069) 11.094 8.679 ( -2.098 3.633 23.757) 24.125 8.737 ( -0.605 1.048 26.622) 26.650 9.243 ( -0.219 0.380 7.145) 7.158 9.561 ( 2.858 -4.951 4.444) 7.241 9.657 ( 5.901 -10.221 3.598) 12.339 11.496 ( 2.343 -4.058 -11.533) 12.449 12.559 ( -5.574 9.654 -2.750) 11.482 12.567 ( -5.056 8.757 -9.712) 14.020 13.073 ( 2.977 -5.156 -16.983) 17.996 16.274 ( -0.460 0.797 -1.077) 1.417 16.428 ( 0.517 -0.896 17.946) 17.976 16.504 ( 2.294 -3.973 16.733) 17.350 17.146 ( 2.251 -3.898 46.157) 46.376 17.967 ( -2.300 3.984 4.664) 6.551 18.340 ( 7.707 -13.349 1.320) 15.471 18.994 ( -4.440 7.690 -0.752) 8.911 19.635 ( -2.048 3.547 31.304) 31.571 19.962 ( -0.106 0.184 3.319) 3.326 19.979 ( 0.139 -0.241 3.331) 3.342 23.554 ( -6.778 11.740 11.280) 17.635 24.423 ( 7.873 -13.636 9.249) 18.261 31.323 ( -1.248 2.162 -3.372) 4.196 31.450 ( 0.762 -1.321 -3.499) 3.817 36.176 ( 4.681 -8.108 -0.727) 9.390 38.049 ( -13.462 23.317 -13.261) 30.013 39.018 ( 5.484 -9.498 -12.212) 16.415 40.919 ( 1.872 -3.242 -28.933) 29.174 ======================= Grid point 72 (16/80) ======================= q-point: ( 0.29 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 17.900 31.003 -4.971) 36.143 1.552 ( 3.661 6.341 48.395) 48.946 1.926 ( -9.159 -15.863 -0.162) 18.318 2.233 ( -8.158 -14.129 3.466) 16.679 2.605 ( 0.276 0.479 22.877) 22.883 2.637 ( -2.427 -4.204 21.308) 21.854 2.802 ( -0.725 -1.255 -0.210) 1.464 2.985 ( -0.875 -1.515 4.792) 5.101 3.048 ( -2.420 -4.191 3.380) 5.903 3.376 ( 0.287 0.497 4.727) 4.762 3.600 ( 3.514 6.087 13.096) 14.863 3.694 ( 1.157 2.003 6.740) 7.126 3.748 ( -1.718 -2.976 12.341) 12.811 3.805 ( -3.240 -5.612 2.373) 6.901 4.100 ( -0.191 -0.331 -6.855) 6.866 4.742 ( 5.016 8.688 -20.864) 23.150 4.897 ( -0.876 -1.517 -19.185) 19.265 5.190 ( 0.998 1.728 -10.593) 10.779 5.240 ( -1.006 -1.743 -5.753) 6.095 5.434 ( -1.034 -1.790 -4.780) 5.208 5.499 ( 0.297 0.514 -10.965) 10.981 5.672 ( 2.336 4.047 14.169) 14.919 5.756 ( -0.898 -1.555 18.422) 18.509 6.229 ( 9.521 16.491 17.656) 25.969 6.434 ( 3.453 5.980 8.170) 10.697 6.556 ( -5.204 -9.014 18.339) 21.087 7.119 ( 1.650 2.858 1.308) 3.549 7.198 ( -2.194 -3.800 -1.574) 4.662 7.567 ( -0.408 -0.707 12.030) 12.058 7.847 ( 0.381 0.660 -1.071) 1.314 7.885 ( -0.180 -0.312 0.893) 0.963 8.184 ( -1.725 -2.988 6.297) 7.180 8.374 ( -0.627 -1.085 10.230) 10.307 8.739 ( 1.012 1.754 26.178) 26.256 8.747 ( 0.449 0.778 24.377) 24.394 9.311 ( 1.753 3.037 6.175) 7.101 9.331 ( 3.223 5.582 6.632) 9.248 9.631 ( -12.946 -22.423 5.131) 26.395 11.454 ( -0.918 -1.590 -11.457) 11.603 12.654 ( 5.286 9.156 -6.978) 12.668 12.713 ( 3.498 6.059 -7.650) 10.366 12.966 ( -1.789 -3.098 -13.047) 13.528 16.299 ( -1.939 -3.358 -1.248) 4.074 16.432 ( -0.815 -1.412 16.496) 16.576 16.438 ( -0.741 -1.284 16.504) 16.570 17.109 ( -2.222 -3.849 44.287) 44.509 18.051 ( 0.388 0.672 3.833) 3.911 18.160 ( -3.447 -5.970 3.668) 7.809 19.071 ( 2.441 4.228 -1.427) 5.086 19.675 ( 1.301 2.254 30.500) 30.611 19.964 ( 0.284 0.493 3.274) 3.324 19.976 ( -0.306 -0.530 3.317) 3.373 23.722 ( 11.502 19.922 11.505) 25.721 24.230 ( -12.013 -20.807 10.185) 26.095 31.351 ( 2.194 3.800 -3.355) 5.524 31.432 ( -1.610 -2.789 -3.578) 4.814 36.088 ( -2.168 -3.755 -0.054) 4.336 38.376 ( 12.513 21.674 -14.364) 28.856 38.845 ( -7.686 -13.313 -13.490) 20.452 40.878 ( -0.716 -1.241 -26.527) 26.565 ======================= Grid point 76 (17/80) ======================= q-point: (-0.14 0.29 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -4.213 7.297 5.756) 10.204 1.212 ( -3.275 5.673 49.056) 49.491 2.253 ( -11.920 20.646 7.696) 25.051 2.551 ( 0.640 -1.109 1.544) 2.005 2.675 ( 2.414 -4.181 15.696) 16.422 2.677 ( -3.980 6.893 19.507) 21.068 2.877 ( 1.913 -3.313 20.406) 20.762 2.883 ( -0.415 0.718 16.329) 16.350 3.097 ( 5.355 -9.274 0.023) 10.709 3.313 ( -0.759 1.314 2.620) 3.027 3.396 ( -1.373 2.378 6.132) 6.719 3.629 ( 2.363 -4.093 3.021) 5.609 3.846 ( 0.900 -1.559 13.426) 13.546 4.001 ( 0.500 -0.866 1.119) 1.501 4.175 ( 0.188 -0.326 -6.882) 6.892 4.564 ( -2.300 3.984 -15.833) 16.487 4.745 ( -6.687 11.583 -10.941) 17.280 5.138 ( -3.595 6.226 -17.284) 18.719 5.177 ( 1.582 -2.740 -11.516) 11.943 5.319 ( -2.062 3.571 -6.394) 7.609 5.489 ( 1.019 -1.765 4.215) 4.682 5.597 ( 0.728 -1.260 9.442) 9.553 5.709 ( 0.634 -1.099 19.924) 19.965 5.966 ( 2.870 -4.971 -8.225) 10.030 6.025 ( -5.619 9.732 12.355) 16.701 6.780 ( 3.381 -5.856 20.730) 21.805 7.105 ( -0.410 0.710 -3.355) 3.454 7.148 ( -0.992 1.717 -4.188) 4.634 7.470 ( -4.413 7.644 8.444) 12.215 8.038 ( 4.306 -7.458 13.476) 15.993 8.150 ( 2.283 -3.955 11.662) 12.524 8.217 ( 1.759 -3.047 10.272) 10.858 8.467 ( -0.700 1.212 14.151) 14.220 8.697 ( 1.232 -2.134 23.440) 23.569 8.825 ( 0.574 -0.995 22.029) 22.059 9.126 ( 0.099 -0.171 4.843) 4.847 9.387 ( 3.013 -5.219 0.386) 6.038 10.509 ( 11.442 -19.818 -3.447) 23.142 11.560 ( -1.440 2.495 -11.757) 12.105 12.166 ( -9.410 16.298 -5.047) 19.484 12.376 ( -2.050 3.551 -2.668) 4.892 12.630 ( -9.282 16.076 -34.455) 39.138 16.469 ( 0.503 -0.872 20.601) 20.626 16.473 ( -0.306 0.530 19.815) 19.825 16.780 ( 9.659 -16.730 -1.224) 19.357 17.656 ( 13.062 -22.625 47.386) 54.110 18.185 ( 2.335 -4.044 0.295) 4.679 18.414 ( 2.795 -4.841 2.185) 6.002 18.732 ( -6.427 11.132 -1.767) 12.975 19.725 ( 11.503 -19.924 70.734) 74.381 19.946 ( -0.218 0.378 3.106) 3.136 20.005 ( 1.175 -2.036 6.043) 6.484 23.064 ( -8.385 14.524 12.975) 21.204 24.870 ( 7.612 -13.185 6.217) 16.445 31.207 ( -1.851 3.206 -2.567) 4.505 31.496 ( 0.456 -0.790 -3.356) 3.478 36.297 ( 2.988 -5.175 -1.386) 6.135 37.630 ( -10.735 18.594 -18.468) 28.320 39.049 ( 0.148 -0.256 -9.225) 9.229 40.690 ( -11.961 20.716 -56.981) 61.799 ======================= Grid point 84 (18/80) ======================= q-point: (-0.29 0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -4.956 8.151 4.534) 10.562 1.376 ( -10.248 -0.787 40.227) 41.519 2.136 ( 24.308 5.565 -0.415) 24.940 2.511 ( 0.691 -4.704 16.697) 17.361 2.617 ( 2.536 0.748 10.759) 11.079 2.703 ( 0.382 -5.134 12.814) 13.809 2.858 ( -1.244 -1.916 14.790) 14.965 2.916 ( 5.768 5.150 7.717) 10.924 3.245 ( -20.306 -9.191 6.757) 23.291 3.344 ( -1.789 1.417 3.411) 4.104 3.469 ( -2.533 5.002 7.816) 9.619 3.598 ( -3.061 1.229 2.825) 4.343 3.807 ( 0.972 -2.829 14.262) 14.572 3.936 ( 1.517 -6.939 1.055) 7.181 4.123 ( 2.579 -4.795 -7.206) 9.032 4.654 ( 3.385 14.441 -13.966) 20.373 4.981 ( -5.274 10.981 -12.922) 17.758 5.142 ( -0.203 -1.555 -13.408) 13.499 5.222 ( -4.915 -1.741 -11.508) 12.634 5.371 ( -1.231 0.699 -3.359) 3.645 5.479 ( 1.432 1.634 1.502) 2.642 5.551 ( 0.545 1.090 5.722) 5.851 5.736 ( -1.792 -1.714 20.158) 20.310 5.960 ( -5.450 6.148 1.667) 8.383 6.239 ( -7.529 9.020 8.491) 14.497 6.648 ( 7.082 -6.288 19.109) 21.327 7.123 ( -0.237 1.971 -4.058) 4.517 7.206 ( -5.268 -1.563 -2.588) 6.074 7.577 ( 0.285 5.943 8.890) 10.697 7.891 ( 7.919 1.084 10.909) 13.523 8.057 ( 2.688 -6.839 6.067) 9.529 8.181 ( 1.003 1.425 11.964) 12.091 8.443 ( 1.520 -2.814 14.349) 14.701 8.664 ( 1.729 0.300 25.090) 25.151 8.756 ( 4.750 -1.108 22.002) 22.537 9.225 ( -6.725 -1.442 3.860) 7.887 9.308 ( -3.419 -1.686 3.327) 5.059 10.048 ( 17.235 -24.106 0.786) 29.644 11.599 ( -0.605 2.250 -9.153) 9.445 12.428 ( -1.440 10.126 -5.563) 11.643 12.446 ( -3.208 9.029 -6.714) 11.700 12.870 ( -11.453 -0.921 -26.322) 28.720 16.386 ( 7.254 -5.478 3.529) 9.751 16.481 ( 0.270 1.005 18.812) 18.840 16.559 ( 2.202 -4.765 14.361) 15.290 17.311 ( 8.335 -10.819 51.307) 53.093 18.054 ( 9.045 1.014 3.460) 9.738 18.385 ( -6.621 -10.840 3.238) 13.109 18.915 ( -2.003 11.344 -1.360) 11.599 19.583 ( 0.615 0.399 37.468) 37.475 19.955 ( -0.373 0.430 3.239) 3.289 19.987 ( 0.417 -0.530 3.438) 3.504 23.360 ( -8.904 15.933 11.741) 21.703 24.586 ( 7.635 -17.927 7.669) 20.940 31.276 ( -2.344 3.560 -3.082) 5.259 31.473 ( 0.998 -1.581 -3.641) 4.093 36.212 ( -0.676 -8.062 -0.812) 8.131 37.928 ( -0.844 23.391 -14.123) 27.337 39.035 ( -2.059 -5.814 -11.163) 12.754 40.890 ( -3.955 0.884 -35.963) 36.191 ======================= Grid point 90 (19/80) ======================= q-point: (-0.43 0.57 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 17.145 29.696 -3.724) 34.492 1.404 ( -0.079 -0.137 43.167) 43.167 1.909 ( -4.658 -8.069 -1.977) 9.524 2.465 ( 0.031 0.054 27.482) 27.482 2.604 ( -1.693 -2.932 2.213) 4.044 2.676 ( -0.742 -1.285 19.908) 19.963 2.850 ( -0.690 -1.195 1.360) 1.937 2.900 ( 1.637 2.836 15.024) 15.377 3.321 ( -7.540 -13.060 3.616) 15.508 3.365 ( 0.113 0.196 4.432) 4.438 3.530 ( 1.791 3.102 9.592) 10.239 3.688 ( -4.016 -6.957 2.628) 8.452 3.800 ( -2.655 -4.599 11.621) 12.777 3.854 ( -3.928 -6.803 1.500) 7.997 4.065 ( 0.761 1.317 -5.814) 6.010 4.696 ( 10.216 17.694 -13.654) 24.574 5.059 ( 2.947 5.104 -16.236) 17.273 5.140 ( -1.385 -2.399 -13.305) 13.590 5.266 ( -2.466 -4.272 -3.631) 6.125 5.375 ( -2.025 -3.507 -12.802) 13.428 5.452 ( 3.055 5.291 3.756) 7.172 5.604 ( 0.808 1.400 3.628) 3.971 5.713 ( 0.122 0.211 16.014) 16.016 6.148 ( 1.117 1.935 14.534) 14.705 6.376 ( 0.774 1.341 12.166) 12.264 6.471 ( -0.719 -1.245 12.347) 12.430 7.136 ( 0.651 1.127 -5.535) 5.686 7.253 ( -2.927 -5.069 -1.134) 5.963 7.579 ( 2.107 3.649 10.737) 11.534 7.845 ( 5.170 8.956 10.652) 14.846 7.989 ( -0.753 -1.304 3.232) 3.565 8.192 ( 0.361 0.625 10.526) 10.551 8.401 ( -0.009 -0.015 12.587) 12.587 8.646 ( 1.270 2.199 21.471) 21.621 8.710 ( -0.165 -0.285 25.922) 25.925 9.214 ( -0.553 -0.958 6.460) 6.554 9.553 ( -3.110 -5.386 4.081) 7.438 9.613 ( -6.982 -12.093 1.664) 14.063 11.616 ( 0.418 0.724 -7.998) 8.041 12.472 ( 3.820 6.617 -5.332) 9.317 12.529 ( 4.005 6.937 -10.971) 13.584 12.966 ( -5.745 -9.951 -20.023) 23.085 16.276 ( 0.347 0.601 -1.584) 1.729 16.484 ( 0.798 1.381 19.319) 19.384 16.534 ( -1.164 -2.015 17.924) 18.074 17.195 ( -1.441 -2.496 48.754) 48.839 17.979 ( 3.054 5.289 5.158) 7.994 18.391 ( -7.137 -12.362 3.444) 14.684 18.986 ( 4.752 8.230 -1.115) 9.568 19.593 ( 1.031 1.785 28.832) 28.905 19.962 ( 0.112 0.194 3.315) 3.323 19.979 ( -0.131 -0.228 3.367) 3.378 23.542 ( 6.408 11.099 10.868) 16.804 24.404 ( -8.315 -14.402 8.619) 18.731 31.322 ( 1.219 2.112 -3.432) 4.210 31.450 ( -0.788 -1.366 -3.548) 3.883 36.179 ( -4.621 -8.005 -0.607) 9.263 38.051 ( 13.533 23.440 -13.184) 30.106 39.021 ( -5.416 -9.381 -12.100) 16.240 40.916 ( -1.943 -3.365 -29.059) 29.318 ======================= Grid point 92 (20/80) ======================= q-point: (-0.29 0.57 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -1.400 2.425 44.660) 44.748 1.555 ( -19.142 33.155 -3.391) 38.434 2.090 ( 8.040 -13.925 -6.022) 17.170 2.324 ( 7.476 -12.949 4.361) 15.575 2.584 ( 0.905 -1.567 23.327) 23.397 2.629 ( 1.393 -2.412 26.400) 26.546 2.825 ( 1.133 -1.962 3.162) 3.890 2.976 ( -0.804 1.392 5.801) 6.020 3.079 ( 2.597 -4.498 9.391) 10.732 3.366 ( -0.346 0.599 4.371) 4.425 3.569 ( -2.830 4.902 9.517) 11.073 3.622 ( -0.521 0.902 2.354) 2.574 3.752 ( 1.293 -2.240 13.270) 13.520 3.791 ( 3.569 -6.182 3.107) 7.785 4.081 ( 0.362 -0.628 -6.561) 6.601 4.915 ( -6.038 10.459 -17.521) 21.280 5.083 ( 1.287 -2.229 -20.392) 20.554 5.139 ( -1.803 3.123 -7.512) 8.333 5.200 ( 0.371 -0.642 -8.750) 8.782 5.344 ( 1.253 -2.171 -14.812) 15.022 5.574 ( -2.446 4.236 2.261) 5.389 5.576 ( -1.908 3.305 12.574) 13.141 5.688 ( 2.048 -3.547 17.357) 17.833 6.146 ( -6.950 12.038 15.302) 20.673 6.376 ( -2.675 4.632 7.773) 9.436 6.492 ( 5.812 -10.066 15.125) 19.075 7.167 ( -0.755 1.308 -0.776) 1.698 7.174 ( 0.424 -0.734 -3.340) 3.446 7.625 ( -0.148 0.257 13.168) 13.171 7.950 ( -1.793 3.105 6.009) 6.997 7.983 ( 0.492 -0.852 4.442) 4.550 8.190 ( 0.327 -0.566 8.628) 8.653 8.399 ( 0.903 -1.564 12.056) 12.190 8.690 ( -0.910 1.576 25.398) 25.463 8.715 ( 1.220 -2.114 21.241) 21.381 9.270 ( -1.052 1.822 5.078) 5.497 9.288 ( -3.556 6.160 4.885) 8.628 9.595 ( 12.880 -22.308 3.630) 26.014 11.618 ( -0.178 0.309 -6.159) 6.169 12.568 ( -4.893 8.475 -9.175) 13.414 12.652 ( -3.056 5.293 -9.771) 11.525 12.789 ( 3.190 -5.526 -19.018) 20.060 16.293 ( 1.855 -3.212 -1.655) 4.062 16.496 ( -0.312 0.540 17.793) 17.804 16.509 ( 0.680 -1.178 18.912) 18.960 17.168 ( 2.325 -4.028 47.221) 47.450 18.085 ( -1.009 1.749 5.386) 5.752 18.213 ( 3.508 -6.076 5.975) 9.216 19.069 ( -2.592 4.490 -1.537) 5.408 19.616 ( -0.981 1.699 27.044) 27.115 19.964 ( -0.299 0.518 3.309) 3.363 19.977 ( 0.305 -0.527 3.365) 3.419 23.703 ( -11.122 19.264 10.887) 24.765 24.203 ( 12.001 -20.786 9.275) 25.732 31.349 ( -2.187 3.788 -3.441) 5.566 31.430 ( 1.634 -2.830 -3.652) 4.901 36.091 ( 2.153 -3.730 0.105) 4.308 38.380 ( -12.533 21.707 -14.230) 28.823 38.849 ( 7.652 -13.254 -13.347) 20.306 40.873 ( 0.731 -1.266 -26.699) 26.739 ======================= Grid point 110 (21/80) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 0.000 26.672) 26.672 0.945 ( 0.000 0.000 26.672) 26.672 2.572 ( 0.000 -0.000 1.619) 1.619 2.763 ( 0.000 0.000 49.572) 49.572 2.826 ( -0.000 0.000 -1.826) 1.826 2.826 ( 0.000 -0.000 -1.826) 1.826 3.261 ( 0.000 -0.000 2.298) 2.298 3.261 ( -0.000 -0.000 2.298) 2.298 3.529 ( 0.000 -0.000 8.494) 8.494 3.529 ( 0.000 0.000 8.494) 8.494 3.762 ( 0.000 0.000 -10.875) 10.875 3.764 ( 0.000 -0.000 -0.159) 0.159 3.968 ( 0.000 0.000 0.006) 0.006 3.968 ( 0.000 0.000 0.006) 0.006 4.298 ( 0.000 0.000 -16.036) 16.036 4.371 ( 0.000 -0.000 10.163) 10.163 4.371 ( 0.000 0.000 10.163) 10.163 4.409 ( 0.000 0.000 28.460) 28.460 5.061 ( 0.000 -0.000 -4.598) 4.598 5.061 ( 0.000 0.000 -4.598) 4.598 5.184 ( 0.000 0.000 -38.007) 38.007 5.838 ( 0.000 0.000 7.544) 7.544 5.838 ( 0.000 -0.000 7.544) 7.544 6.085 ( 0.000 0.000 -1.221) 1.221 6.133 ( 0.000 0.000 7.808) 7.808 7.039 ( 0.000 -0.000 6.856) 6.856 7.039 ( 0.000 -0.000 6.856) 6.856 7.576 ( 0.000 0.000 13.034) 13.034 7.576 ( 0.000 -0.000 13.034) 13.034 8.442 ( 0.000 -0.000 34.302) 34.302 8.525 ( 0.000 0.000 12.841) 12.841 8.690 ( 0.000 -0.000 27.924) 27.924 8.690 ( -0.000 -0.000 27.924) 27.924 9.262 ( 0.000 0.000 24.858) 24.858 9.262 ( 0.000 0.000 24.858) 24.858 9.503 ( -0.000 0.000 3.250) 3.250 9.503 ( 0.000 -0.000 3.250) 3.250 10.495 ( 0.000 0.000 13.110) 13.110 11.509 ( 0.000 0.000 -8.925) 8.925 11.733 ( 0.000 0.000 -4.320) 4.320 11.733 ( 0.000 -0.000 -4.320) 4.320 12.371 ( 0.000 0.000 -0.408) 0.408 17.041 ( 0.000 -0.000 33.157) 33.157 17.041 ( 0.000 -0.000 33.157) 33.157 17.155 ( 0.000 -0.000 -7.124) 7.124 18.123 ( -0.000 0.000 -1.520) 1.520 18.123 ( 0.000 -0.000 -1.520) 1.520 18.486 ( 0.000 0.000 -3.751) 3.751 18.486 ( 0.000 -0.000 -3.751) 3.751 20.020 ( 0.000 0.000 5.182) 5.182 20.096 ( 0.000 -0.000 6.379) 6.379 23.168 ( 0.000 -0.000 29.299) 29.299 23.168 ( 0.000 0.000 29.299) 29.299 25.220 ( 0.000 0.000 9.712) 9.712 31.094 ( 0.000 0.000 -2.800) 2.800 31.516 ( 0.000 0.000 -1.101) 1.101 36.342 ( 0.000 0.000 -3.258) 3.258 36.342 ( 0.000 0.000 -3.258) 3.258 38.839 ( 0.000 0.000 -12.440) 12.440 38.839 ( 0.000 -0.000 -12.440) 12.440 ======================= Grid point 111 (22/80) ======================= q-point: ( 0.14 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 17.073 1.356 20.237) 26.512 1.426 ( 23.770 20.795 11.022) 33.450 2.576 ( 0.247 -0.148 2.221) 2.240 2.719 ( -2.968 -0.513 29.667) 29.819 2.792 ( -5.456 -2.528 -1.106) 6.114 2.846 ( 0.820 0.597 14.779) 14.814 3.141 ( -2.507 -9.448 1.903) 9.959 3.265 ( -4.050 4.836 2.610) 6.827 3.462 ( -8.479 -3.398 -1.468) 9.252 3.528 ( -1.453 -1.007 13.092) 13.211 3.582 ( -1.435 1.181 10.981) 11.137 3.730 ( -2.451 -2.333 1.633) 3.757 3.985 ( 2.545 -1.718 -2.839) 4.182 4.039 ( 1.266 2.861 -5.412) 6.251 4.227 ( 3.017 -5.838 3.397) 7.398 4.324 ( -2.930 -1.204 16.570) 16.870 4.475 ( 5.604 2.445 13.150) 14.502 4.689 ( 14.189 13.274 -9.513) 21.633 5.020 ( -1.052 -1.769 -6.080) 6.419 5.092 ( 1.210 3.702 -4.767) 6.156 5.191 ( 1.416 -0.952 -30.267) 30.315 5.807 ( -5.464 -1.952 4.007) 7.052 5.868 ( 0.506 -2.232 1.961) 3.014 6.030 ( -1.004 1.848 7.026) 7.334 6.182 ( 5.853 2.129 11.225) 12.837 7.045 ( 0.807 1.212 5.845) 6.024 7.079 ( 1.930 3.176 8.898) 9.643 7.517 ( -4.940 -0.339 20.069) 20.670 7.596 ( 3.227 -3.239 14.045) 14.770 8.457 ( -6.263 -3.504 15.068) 16.690 8.565 ( 3.992 -0.333 24.404) 24.730 8.628 ( -1.139 0.510 26.957) 26.985 8.676 ( -1.594 -0.194 23.840) 23.894 9.234 ( -3.028 -2.258 20.851) 21.190 9.273 ( 0.454 -1.939 24.233) 24.314 9.395 ( -5.510 0.457 13.923) 14.981 9.478 ( -1.601 -2.038 4.955) 5.592 10.599 ( 2.228 2.021 4.225) 5.187 11.383 ( -6.961 -3.168 -7.101) 10.436 11.846 ( 8.907 5.870 -6.013) 12.245 11.908 ( 14.822 6.704 -9.682) 18.931 12.383 ( 0.480 2.047 -1.184) 2.413 16.928 ( -15.606 -8.573 1.372) 17.858 17.012 ( -3.435 -0.374 29.068) 29.272 17.046 ( -1.313 -2.900 24.786) 24.990 18.112 ( -1.136 -1.213 0.972) 1.925 18.184 ( 2.045 0.523 -0.373) 2.143 18.467 ( 1.199 -2.854 -2.086) 3.733 18.551 ( 4.959 5.941 -1.604) 7.903 20.024 ( 0.327 0.198 5.248) 5.262 20.093 ( -0.249 -0.151 6.297) 6.304 22.282 ( -62.425 -34.600 66.513) 97.560 23.267 ( 9.268 4.031 28.373) 30.119 25.199 ( -4.401 -1.923 11.460) 12.426 31.112 ( 1.588 0.936 -3.076) 3.586 31.470 ( -2.781 -1.622 -1.385) 3.505 36.318 ( -1.866 -1.261 -2.942) 3.705 36.797 ( 28.873 16.734 -18.474) 38.144 38.833 ( -0.459 -0.283 -13.411) 13.422 39.219 ( 30.313 17.588 -29.873) 46.050 ======================= Grid point 112 (23/80) ======================= q-point: ( 0.29 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -1.177 -6.919 9.784) 12.041 1.773 ( 8.172 7.829 1.925) 11.480 2.437 ( -12.147 -6.069 25.204) 28.629 2.604 ( -0.579 -0.881 0.875) 1.370 2.731 ( -1.524 0.750 -0.022) 1.699 2.845 ( -0.974 -0.002 3.957) 4.075 3.184 ( -6.920 -1.768 13.873) 15.604 3.252 ( 5.294 -3.263 5.772) 8.484 3.396 ( 5.039 6.339 11.409) 13.991 3.525 ( 1.081 0.759 9.116) 9.211 3.614 ( 0.319 1.745 5.796) 6.062 3.692 ( 1.869 0.662 5.101) 5.472 3.984 ( -0.126 -1.531 -6.403) 6.585 4.076 ( 1.159 0.371 -5.617) 5.748 4.235 ( 1.997 -3.965 11.885) 12.688 4.294 ( 0.437 -0.032 14.393) 14.400 4.602 ( 5.580 0.768 -2.634) 6.218 4.912 ( 2.665 4.860 -4.189) 6.948 5.083 ( 5.811 6.753 -7.265) 11.496 5.147 ( 2.139 -1.886 -15.059) 15.327 5.209 ( 2.571 1.852 -15.771) 16.086 5.651 ( -7.624 -2.140 1.156) 8.002 5.881 ( 5.551 0.795 4.557) 7.225 6.106 ( 4.170 6.385 12.784) 14.886 6.352 ( 9.887 4.474 14.074) 17.772 7.068 ( -0.187 2.232 7.233) 7.571 7.148 ( 1.608 3.340 9.575) 10.268 7.415 ( -6.274 -2.320 25.399) 26.265 7.634 ( 4.613 -2.224 10.816) 11.967 8.285 ( -8.452 -5.480 17.860) 20.505 8.425 ( -7.866 -10.871 21.011) 24.930 8.553 ( -5.337 -0.658 23.197) 23.812 8.761 ( 1.378 0.442 16.028) 16.094 9.128 ( -2.878 -3.039 17.350) 17.848 9.273 ( 0.434 0.584 29.174) 29.183 9.409 ( 0.877 5.205 12.195) 13.288 9.455 ( 2.090 -0.426 14.603) 14.758 10.417 ( -18.661 -8.813 2.689) 20.812 11.333 ( 2.124 -1.162 -7.857) 8.222 12.054 ( 8.683 5.837 -10.258) 14.653 12.262 ( 14.803 6.839 -11.299) 19.839 12.444 ( 3.516 8.859 -6.878) 11.754 16.547 ( -17.698 -9.620 -3.738) 20.487 16.941 ( -3.841 -2.171 24.442) 24.837 16.999 ( -1.353 -2.803 24.467) 24.664 18.049 ( -3.075 -4.868 11.212) 12.604 18.145 ( -3.448 -1.882 6.507) 7.601 18.490 ( 3.391 -1.668 -1.160) 3.952 18.735 ( 8.135 6.718 1.000) 10.598 20.033 ( 0.548 0.320 5.419) 5.456 20.085 ( -0.447 -0.289 6.067) 6.090 21.173 ( -37.188 -19.402 83.737) 93.655 23.505 ( 12.500 6.786 26.251) 29.856 25.037 ( -10.259 -4.957 15.086) 18.906 31.159 ( 2.612 1.568 -3.745) 4.827 31.423 ( -1.745 -0.993 -3.046) 3.648 36.274 ( -1.728 -1.183 -2.445) 3.219 37.277 ( 15.475 8.871 -18.666) 25.819 38.822 ( -0.469 -0.364 -15.856) 15.867 39.843 ( 22.924 13.417 -44.939) 52.202 ======================= Grid point 113 (24/80) ======================= q-point: ( 0.43 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -11.866 -12.894 1.571) 17.593 1.910 ( 2.325 1.624 2.851) 4.021 2.398 ( 4.358 3.136 32.182) 32.627 2.596 ( 0.724 -1.570 -0.602) 1.831 2.727 ( -0.435 3.514 3.340) 4.867 2.808 ( -4.763 0.887 3.101) 5.752 2.996 ( -6.098 -5.222 10.238) 13.010 3.306 ( 3.127 0.128 8.289) 8.860 3.471 ( -0.319 -2.398 3.655) 4.383 3.510 ( 0.554 -0.943 10.434) 10.491 3.669 ( 1.465 1.984 -0.292) 2.484 3.774 ( 2.637 2.316 -0.409) 3.533 3.988 ( 1.193 0.134 -3.411) 3.616 4.078 ( -0.483 0.240 2.418) 2.477 4.212 ( -1.714 -0.032 13.870) 13.976 4.312 ( 3.235 -3.959 16.555) 17.326 4.619 ( -0.602 -1.785 -18.699) 18.794 4.960 ( 0.303 1.371 1.692) 2.199 5.108 ( 1.222 -3.472 -21.628) 21.939 5.272 ( 4.918 6.014 -6.212) 9.947 5.293 ( 3.889 0.662 -5.164) 6.498 5.522 ( -7.126 0.310 -1.276) 7.246 5.979 ( 1.385 1.453 14.188) 14.330 6.366 ( 13.633 9.576 13.922) 21.712 6.544 ( 7.934 6.785 11.135) 15.263 7.061 ( -5.642 -0.656 18.860) 19.696 7.116 ( -4.925 -1.608 12.834) 13.840 7.315 ( -1.681 -0.510 10.050) 10.202 7.688 ( 3.174 -1.099 9.425) 10.006 8.139 ( -2.118 -4.261 14.649) 15.402 8.204 ( -5.858 -7.662 20.895) 23.014 8.495 ( -0.606 -1.412 20.678) 20.735 8.702 ( -2.895 -3.687 16.602) 17.251 9.092 ( -1.715 1.515 21.583) 21.704 9.286 ( -0.082 0.933 30.234) 30.249 9.465 ( 1.054 1.392 16.634) 16.725 9.601 ( 11.770 8.006 10.357) 17.604 9.983 ( -20.673 -9.757 5.660) 23.550 11.366 ( 3.342 -3.197 -8.262) 9.469 12.201 ( 3.172 3.584 -12.872) 13.733 12.378 ( -0.350 2.758 -3.620) 4.564 12.669 ( 5.544 8.974 -17.094) 20.086 16.258 ( -7.881 -4.387 -3.685) 9.743 16.870 ( -1.173 -2.745 19.252) 19.482 16.962 ( -0.497 -1.513 21.285) 21.344 17.963 ( -0.448 -4.970 22.751) 23.292 18.091 ( -1.715 -0.146 11.349) 11.479 18.521 ( 2.465 -2.287 -0.572) 3.411 18.880 ( 3.160 3.128 2.459) 5.081 20.045 ( 0.412 0.210 5.630) 5.649 20.075 ( -0.368 -0.271 5.878) 5.896 20.706 ( -10.708 -3.325 76.202) 77.023 23.733 ( 6.815 4.290 24.195) 25.499 24.842 ( -6.675 -2.930 17.657) 19.102 31.211 ( 1.623 1.024 -4.425) 4.823 31.392 ( -1.015 -0.523 -3.792) 3.960 36.247 ( -0.566 -0.513 -2.182) 2.312 37.490 ( 4.833 2.697 -15.541) 16.497 38.814 ( -0.132 -0.238 -18.106) 18.108 40.157 ( 6.721 4.076 -44.227) 44.920 ======================= Grid point 118 (25/80) ======================= q-point: ( 0.14 0.14 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.471 -0.817 13.845) 13.877 1.813 ( 7.176 12.429 8.137) 16.498 2.556 ( -2.036 -3.527 1.592) 4.373 2.731 ( -1.912 -3.311 -0.904) 3.929 2.740 ( -0.384 -0.664 5.008) 5.067 2.872 ( 0.688 1.192 33.616) 33.644 2.926 ( -3.322 -5.754 -0.698) 6.681 3.355 ( 2.996 5.190 8.704) 10.567 3.369 ( -3.107 -5.381 4.108) 7.448 3.519 ( -1.204 -2.085 15.373) 15.560 3.625 ( 1.989 3.445 6.358) 7.500 3.681 ( -0.195 -0.337 4.005) 4.024 3.971 ( 0.072 0.125 0.068) 0.159 4.021 ( -1.770 -3.066 -10.153) 10.752 4.226 ( 2.481 4.296 10.079) 11.234 4.305 ( -0.344 -0.596 11.561) 11.582 4.548 ( 2.677 4.637 5.966) 8.016 4.948 ( 6.457 11.183 -13.099) 18.394 4.983 ( -0.839 -1.454 -1.327) 2.140 5.169 ( -1.075 -1.862 -32.664) 32.734 5.192 ( 3.514 6.086 -3.042) 7.657 5.776 ( 0.858 1.487 3.249) 3.675 5.782 ( -2.293 -3.971 1.809) 4.929 6.113 ( 2.913 5.046 11.164) 12.593 6.281 ( 5.258 9.107 14.401) 17.832 7.102 ( 2.274 3.938 7.895) 9.111 7.142 ( 1.737 3.008 10.117) 10.697 7.455 ( -3.713 -6.431 30.107) 31.009 7.587 ( 2.040 3.534 5.588) 6.919 8.339 ( -5.055 -8.756 17.139) 19.899 8.409 ( -7.280 -12.610 21.625) 26.070 8.624 ( -2.445 -4.235 22.879) 23.396 8.729 ( 1.638 2.836 19.120) 19.399 9.153 ( -1.291 -2.236 14.512) 14.740 9.267 ( -0.264 -0.457 28.997) 29.002 9.410 ( 1.096 1.899 22.374) 22.481 9.444 ( -0.617 -1.068 4.507) 4.672 10.518 ( -7.754 -13.431 2.913) 15.780 11.325 ( -1.311 -2.270 -7.825) 8.253 12.068 ( 8.606 14.905 -7.526) 18.785 12.099 ( 7.896 13.676 -13.983) 21.093 12.464 ( 3.846 6.662 -4.447) 8.885 16.670 ( -9.891 -17.132 -4.261) 20.235 16.972 ( -2.259 -3.912 25.850) 26.242 16.973 ( -2.563 -4.439 26.401) 26.894 18.035 ( -3.750 -6.495 7.844) 10.853 18.199 ( -0.290 -0.503 3.113) 3.166 18.406 ( -1.146 -1.985 2.060) 3.082 18.723 ( 6.280 10.878 -1.295) 12.627 20.031 ( 0.303 0.525 5.349) 5.384 20.088 ( -0.254 -0.439 6.112) 6.133 21.424 ( -25.722 -44.551 83.270) 97.879 23.439 ( 7.819 13.544 26.877) 31.096 25.089 ( -5.838 -10.111 14.246) 18.419 31.146 ( 1.542 2.671 -3.526) 4.685 31.433 ( -1.165 -2.018 -2.657) 3.534 36.258 ( -2.477 -4.290 -2.134) 5.393 37.224 ( 13.697 23.724 -20.597) 34.274 38.804 ( -1.603 -2.776 -15.244) 15.577 39.701 ( 15.777 27.327 -42.664) 53.065 ======================= Grid point 119 (26/80) ======================= q-point: ( 0.29 0.14 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.548 -0.088 6.076) 6.270 1.877 ( -5.515 -0.432 1.492) 5.729 2.450 ( -3.579 0.614 14.212) 14.668 2.613 ( -6.625 1.375 14.063) 15.606 2.760 ( 0.786 3.027 1.311) 3.391 2.834 ( -0.634 -0.951 1.988) 2.293 2.971 ( 5.649 -12.712 13.684) 19.513 3.248 ( -3.044 -2.036 7.515) 8.360 3.406 ( 1.452 -8.978 8.163) 12.221 3.489 ( 0.944 0.694 10.313) 10.379 3.692 ( 1.035 4.795 0.469) 4.927 3.737 ( 2.445 2.229 2.781) 4.322 3.968 ( -0.067 0.473 -0.246) 0.537 4.024 ( 4.789 -1.538 2.298) 5.530 4.263 ( -3.476 1.651 11.247) 11.887 4.310 ( 0.344 3.005 12.105) 12.477 4.589 ( 0.536 -3.153 -12.231) 12.642 4.969 ( 0.408 2.020 1.894) 2.800 5.092 ( -0.810 -1.836 -19.461) 19.564 5.132 ( 6.238 -0.449 -16.629) 17.766 5.283 ( 1.855 1.188 -6.502) 6.865 5.692 ( -7.065 6.434 0.416) 9.564 6.007 ( 8.058 12.677 12.268) 19.394 6.231 ( 10.745 8.442 12.022) 18.200 6.487 ( 7.547 9.454 13.867) 18.402 7.146 ( -2.621 5.291 10.257) 11.835 7.193 ( -0.671 2.018 12.522) 12.701 7.315 ( -3.690 -7.843 25.839) 27.254 7.669 ( 1.483 4.826 5.467) 7.441 8.143 ( -6.664 -10.414 14.538) 19.084 8.183 ( -3.985 -12.258 18.762) 22.763 8.519 ( -4.523 -3.908 19.857) 20.737 8.703 ( -1.994 -4.674 16.657) 17.415 9.157 ( -2.663 4.908 21.176) 21.899 9.274 ( 2.738 -0.589 27.758) 27.899 9.452 ( 1.389 1.168 13.676) 13.795 9.484 ( 6.775 2.500 15.879) 17.444 10.149 ( -16.077 -18.869 5.866) 25.474 11.300 ( 0.790 -2.439 -7.657) 8.075 12.258 ( 0.477 13.576 -12.539) 18.487 12.379 ( 8.098 7.028 -8.746) 13.837 12.629 ( 7.151 8.468 -11.770) 16.167 16.366 ( -10.738 -8.697 -3.938) 14.368 16.869 ( -3.283 -4.688 20.603) 21.383 16.911 ( 0.578 -6.492 21.243) 22.221 17.911 ( -2.121 -7.457 18.644) 20.192 18.164 ( -3.760 2.197 10.213) 11.102 18.402 ( 4.083 -5.843 5.048) 8.735 18.904 ( 3.355 9.282 -0.984) 9.919 20.042 ( 0.400 0.543 5.512) 5.553 20.077 ( -0.390 -0.550 5.881) 5.919 20.834 ( -13.456 -14.177 77.773) 80.191 23.720 ( 8.052 15.872 24.983) 30.675 24.855 ( -7.013 -14.585 17.444) 23.795 31.204 ( 1.873 3.198 -4.147) 5.562 31.396 ( -1.110 -1.922 -3.767) 4.372 36.187 ( 0.473 -6.600 -1.212) 6.727 37.592 ( 3.907 22.836 -18.479) 29.635 38.740 ( 0.920 -8.708 -17.998) 20.015 40.088 ( 9.172 10.749 -43.330) 45.576 ======================= Grid point 120 (27/80) ======================= q-point: ( 0.43 0.14 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -15.283 26.470 -0.233) 30.566 1.756 ( 7.393 -12.805 1.588) 14.871 2.514 ( -4.712 8.162 35.770) 36.991 2.517 ( 5.148 -8.916 -1.220) 10.368 2.805 ( -0.235 0.408 2.171) 2.221 2.836 ( -1.589 2.752 7.779) 8.403 2.878 ( 2.489 -4.311 5.035) 7.081 3.260 ( 3.454 -5.983 10.911) 12.914 3.337 ( 5.712 -9.893 4.839) 12.407 3.507 ( -0.201 0.349 9.685) 9.693 3.727 ( -1.590 2.754 -2.397) 3.982 3.755 ( 1.147 -1.986 -1.705) 2.858 3.975 ( -0.395 0.685 2.073) 2.219 4.091 ( -0.343 0.594 4.239) 4.294 4.209 ( 0.583 -1.010 18.182) 18.219 4.329 ( -2.698 4.673 10.370) 11.690 4.564 ( 2.343 -4.058 -21.013) 21.529 4.996 ( -1.580 2.736 3.185) 4.486 5.057 ( 0.867 -1.502 -22.653) 22.720 5.221 ( 3.236 -5.605 -4.748) 8.027 5.273 ( 2.656 -4.601 -13.013) 14.056 5.673 ( -7.968 13.801 0.672) 15.950 6.082 ( -2.743 4.751 16.503) 17.391 6.514 ( -3.612 6.256 15.397) 17.007 6.636 ( -0.363 0.629 8.843) 8.873 7.057 ( -1.524 2.640 31.432) 31.579 7.163 ( -3.313 5.739 6.213) 9.083 7.287 ( 1.201 -2.081 9.466) 9.766 7.698 ( -1.150 1.992 8.392) 8.701 8.033 ( 3.655 -6.331 9.564) 12.038 8.083 ( 3.064 -5.307 18.631) 19.613 8.454 ( 1.423 -2.464 19.645) 19.850 8.652 ( 1.041 -1.802 16.476) 16.607 9.152 ( -2.941 5.094 22.945) 23.687 9.299 ( -0.154 0.266 29.669) 29.671 9.473 ( -0.085 0.148 17.675) 17.676 9.700 ( 1.603 -2.776 10.389) 10.872 9.769 ( 3.983 -6.899 8.578) 11.706 11.297 ( 2.005 -3.473 -7.525) 8.527 12.329 ( -5.075 8.791 -13.561) 16.939 12.466 ( -3.040 5.266 -6.769) 9.099 12.751 ( -0.049 0.085 -14.492) 14.492 16.227 ( -0.547 0.948 -3.480) 3.648 16.815 ( 1.467 -2.541 17.973) 18.211 16.883 ( 3.535 -6.123 19.001) 20.274 17.857 ( 2.703 -4.682 23.322) 23.940 18.142 ( -2.441 4.228 13.823) 14.659 18.409 ( 4.415 -7.647 5.836) 10.584 18.978 ( -3.100 5.369 -0.678) 6.236 20.049 ( -0.152 0.263 5.637) 5.645 20.069 ( 0.168 -0.291 5.798) 5.807 20.671 ( 0.256 -0.443 71.974) 71.976 23.892 ( -6.853 11.870 23.730) 27.404 24.697 ( 6.794 -11.768 19.173) 23.501 31.242 ( -1.242 2.152 -4.520) 5.158 31.372 ( 0.879 -1.523 -4.018) 4.386 36.160 ( 3.755 -6.505 -0.876) 7.562 37.738 ( -11.904 20.619 -17.284) 29.421 38.700 ( 6.667 -11.548 -19.528) 23.646 40.207 ( -0.730 1.265 -41.377) 41.403 ======================= Grid point 127 (28/80) ======================= q-point: ( 0.29 0.29 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 14.919 25.840 1.198) 29.862 1.784 ( -6.253 -10.831 -5.245) 13.562 2.297 ( -7.355 -12.740 3.048) 15.023 2.636 ( 0.875 1.515 41.751) 41.787 2.791 ( -1.156 -2.002 1.069) 2.547 2.831 ( 1.617 2.800 1.859) 3.730 2.865 ( -0.416 -0.720 3.850) 3.938 3.175 ( -1.927 -3.337 9.048) 9.834 3.223 ( -4.254 -7.367 11.498) 14.303 3.513 ( 0.561 0.972 9.182) 9.251 3.737 ( 0.258 0.447 -2.750) 2.798 3.743 ( -0.392 -0.679 -0.647) 1.017 4.045 ( 3.446 5.969 9.345) 11.612 4.046 ( 1.759 3.046 8.169) 8.894 4.204 ( -3.579 -6.200 17.569) 18.971 4.399 ( 2.413 4.180 -4.590) 6.660 4.504 ( -2.497 -4.325 -17.789) 18.477 5.024 ( 2.020 3.498 -7.495) 8.514 5.074 ( -0.477 -0.826 -16.675) 16.703 5.123 ( -0.225 -0.389 -2.184) 2.230 5.233 ( -2.082 -3.607 -12.681) 13.347 5.869 ( 5.793 10.034 4.050) 12.273 6.082 ( -2.253 -3.902 11.232) 12.101 6.547 ( 11.018 19.084 13.869) 26.038 6.645 ( 3.122 5.408 13.926) 15.261 7.119 ( -5.736 -9.935 33.821) 35.714 7.242 ( 1.734 3.003 10.887) 11.426 7.250 ( 1.392 2.411 8.686) 9.121 7.748 ( 1.358 2.351 4.820) 5.532 7.952 ( -3.057 -5.295 10.570) 12.211 8.012 ( -4.188 -7.254 11.297) 14.063 8.431 ( -2.171 -3.761 19.457) 19.936 8.631 ( -1.467 -2.541 15.668) 15.940 9.262 ( 0.951 1.646 26.491) 26.559 9.271 ( 1.788 3.098 26.542) 26.782 9.504 ( 2.471 4.279 14.802) 15.605 9.529 ( 2.496 4.324 14.792) 15.612 9.778 ( -10.954 -18.973 10.305) 24.211 11.262 ( -0.710 -1.230 -7.066) 7.207 12.452 ( 3.597 6.230 -13.038) 14.891 12.507 ( 2.374 4.112 -12.622) 13.486 12.731 ( 1.618 2.802 -9.654) 10.182 16.251 ( -1.899 -3.290 -3.477) 5.150 16.796 ( -1.615 -2.797 17.038) 17.342 16.800 ( -2.050 -3.551 17.546) 18.019 17.812 ( -1.627 -2.817 23.536) 23.760 18.210 ( 1.443 2.499 13.186) 13.498 18.306 ( -2.294 -3.973 11.537) 12.416 19.033 ( 2.207 3.823 -2.404) 5.027 20.053 ( 0.330 0.572 5.619) 5.658 20.066 ( -0.343 -0.594 5.758) 5.799 20.671 ( -2.243 -3.884 69.451) 69.596 24.060 ( 10.814 18.731 23.515) 31.949 24.527 ( -10.700 -18.532 20.556) 29.673 31.271 ( 2.049 3.549 -4.420) 6.028 31.350 ( -1.643 -2.846 -4.279) 5.395 36.088 ( -1.772 -3.070 0.177) 3.549 38.030 ( 12.263 21.240 -19.782) 31.510 38.507 ( -8.648 -14.978 -20.045) 26.475 40.216 ( 1.852 3.207 -39.086) 39.261 ======================= Grid point 131 (29/80) ======================= q-point: (-0.14 0.29 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.498 -0.862 13.581) 13.617 1.765 ( -8.799 15.240 7.710) 19.212 2.584 ( 0.537 -0.931 1.843) 2.134 2.686 ( 1.452 -2.515 14.169) 14.463 2.695 ( 2.826 -4.895 -2.823) 6.317 2.827 ( 2.692 -4.663 17.630) 18.434 3.057 ( 2.224 -3.852 -0.786) 4.517 3.290 ( -5.367 9.297 12.784) 16.694 3.370 ( 2.472 -4.281 9.167) 10.415 3.513 ( 0.905 -1.567 13.397) 13.518 3.586 ( -1.619 2.804 7.800) 8.445 3.698 ( 1.082 -1.874 3.993) 4.542 4.002 ( 1.016 -1.760 -7.979) 8.234 4.056 ( -1.282 2.221 -0.949) 2.734 4.262 ( 1.875 -3.247 17.577) 17.972 4.353 ( -3.398 5.886 2.345) 7.189 4.590 ( -4.148 7.185 0.361) 8.304 4.835 ( -4.416 7.649 -9.744) 13.151 4.997 ( 0.198 -0.343 -0.152) 0.424 5.157 ( -3.903 6.760 -4.245) 8.885 5.206 ( 0.117 -0.203 -28.097) 28.098 5.720 ( 3.887 -6.733 2.623) 8.205 5.857 ( -1.398 2.421 1.332) 3.097 6.038 ( -1.169 2.025 12.117) 12.340 6.314 ( -5.535 9.586 14.296) 18.081 7.071 ( -1.250 2.166 2.336) 3.422 7.087 ( -0.901 1.561 11.601) 11.740 7.429 ( 3.294 -5.706 26.351) 27.163 7.681 ( -2.634 4.563 11.667) 12.802 8.340 ( 4.643 -8.042 17.058) 19.422 8.515 ( 5.892 -10.205 22.480) 25.381 8.585 ( 1.239 -2.146 25.339) 25.460 8.720 ( -2.268 3.929 14.956) 15.629 9.221 ( 0.721 -1.249 22.863) 22.909 9.275 ( 1.873 -3.244 18.987) 19.353 9.299 ( 0.055 -0.095 18.020) 18.020 9.463 ( 0.299 -0.517 12.455) 12.469 10.486 ( 8.816 -15.269 2.139) 17.760 11.350 ( -1.122 1.943 -8.031) 8.338 12.040 ( -7.868 13.628 -7.662) 17.502 12.138 ( -8.338 14.442 -15.728) 22.924 12.371 ( 0.151 -0.261 -2.145) 2.166 16.656 ( 10.057 -17.420 -3.876) 20.484 16.949 ( 2.134 -3.696 25.797) 26.147 17.025 ( 1.435 -2.486 25.635) 25.795 18.069 ( 2.335 -4.045 7.604) 8.924 18.211 ( 0.033 -0.058 3.214) 3.215 18.460 ( 0.569 -0.985 2.800) 3.023 18.693 ( -6.563 11.368 -1.947) 13.270 20.030 ( -0.307 0.531 5.376) 5.410 20.088 ( 0.233 -0.403 6.162) 6.180 21.390 ( 26.674 -46.201 82.910) 98.590 23.452 ( -7.554 13.083 27.150) 31.070 25.071 ( 6.226 -10.784 14.511) 19.121 31.145 ( -1.507 2.610 -3.545) 4.652 31.432 ( 1.188 -2.058 -2.691) 3.589 36.262 ( 2.429 -4.207 -2.109) 5.296 37.225 ( -13.769 23.849 -20.671) 34.433 38.805 ( 1.549 -2.682 -15.220) 15.532 39.698 ( -15.698 27.190 -42.655) 52.964 ======================= Grid point 139 (30/80) ======================= q-point: (-0.29 0.43 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -1.725 2.102 5.656) 6.275 1.892 ( 4.447 3.901 1.490) 6.101 2.431 ( 9.830 1.790 25.035) 26.955 2.615 ( -0.153 -3.428 4.328) 5.523 2.711 ( -0.738 0.789 -0.048) 1.081 2.764 ( -1.330 -5.800 2.749) 6.555 3.017 ( 1.239 -6.993 3.570) 7.949 3.302 ( 0.812 -0.908 12.076) 12.137 3.454 ( -3.222 1.947 7.704) 8.575 3.495 ( -2.196 -3.758 11.415) 12.217 3.649 ( -1.876 3.975 4.424) 6.236 3.701 ( -2.795 -0.659 5.443) 6.154 3.976 ( -0.132 -0.552 -0.646) 0.860 4.072 ( -0.019 -0.177 3.923) 3.927 4.213 ( 1.410 -2.901 15.950) 16.273 4.432 ( 1.651 8.428 -2.495) 8.943 4.642 ( 1.660 -1.203 -17.338) 17.459 4.930 ( -2.577 1.063 -6.589) 7.154 5.073 ( -7.682 1.783 4.235) 8.952 5.204 ( 1.017 2.951 -22.354) 22.571 5.275 ( -2.804 1.112 -1.681) 3.453 5.596 ( 5.838 2.195 0.591) 6.265 6.021 ( -0.891 6.582 11.068) 12.908 6.144 ( -17.517 8.355 10.806) 22.213 6.490 ( -4.528 7.787 14.723) 17.260 7.089 ( 1.764 2.332 10.427) 10.829 7.140 ( -0.920 -0.005 10.740) 10.779 7.301 ( 3.112 -7.544 21.148) 22.668 7.747 ( 0.991 5.643 8.120) 9.938 8.200 ( 4.581 -3.715 17.298) 18.276 8.298 ( 7.147 -9.281 17.250) 20.851 8.531 ( 3.277 -0.858 22.046) 22.305 8.739 ( 0.918 -2.569 16.092) 16.322 9.130 ( 6.830 0.901 20.291) 21.429 9.257 ( -2.531 -2.581 27.771) 28.005 9.391 ( -7.894 1.562 14.247) 16.363 9.480 ( -3.409 0.485 16.753) 17.103 10.099 ( 15.233 -20.592 4.989) 26.095 11.406 ( -1.011 4.102 -8.384) 9.388 12.228 ( 0.230 12.301 -12.374) 17.450 12.364 ( -1.194 1.857 -4.314) 4.846 12.453 ( -14.963 1.890 -16.068) 22.037 16.356 ( 10.072 -8.865 -3.884) 13.969 16.891 ( 0.825 -2.788 20.081) 20.290 16.963 ( 2.098 -3.756 21.058) 21.493 17.984 ( 2.066 -4.900 18.486) 19.236 18.182 ( 4.837 4.178 10.477) 12.273 18.468 ( -3.743 -4.168 5.246) 7.675 18.886 ( -3.632 9.914 -1.209) 10.628 20.042 ( -0.425 0.594 5.571) 5.618 20.079 ( 0.388 -0.475 5.961) 5.992 20.772 ( 13.054 -17.380 77.529) 80.519 23.718 ( -7.437 15.041 25.254) 30.320 24.831 ( 6.522 -15.506 17.688) 24.409 31.202 ( -1.885 3.096 -4.188) 5.539 31.395 ( 1.132 -2.016 -3.817) 4.463 36.191 ( -0.413 -6.454 -1.177) 6.573 37.594 ( -3.864 22.997 -18.522) 29.780 38.744 ( -0.937 -8.549 -17.972) 19.923 40.083 ( -9.238 10.576 -43.365) 45.581 ======================= Grid point 145 (31/80) ======================= q-point: (-0.43 0.57 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 16.850 29.185 -0.782) 33.709 1.785 ( -5.292 -9.165 1.036) 10.634 2.416 ( -2.047 -3.546 38.208) 38.427 2.585 ( -2.482 -4.299 -1.026) 5.069 2.730 ( 1.871 3.240 -1.050) 3.886 2.739 ( -0.712 -1.234 0.874) 1.672 2.944 ( -2.619 -4.537 5.084) 7.300 3.312 ( -0.548 -0.949 11.835) 11.885 3.447 ( -2.179 -3.774 7.045) 8.284 3.509 ( -0.267 -0.463 9.975) 9.989 3.700 ( 0.810 1.403 0.767) 1.792 3.719 ( -2.933 -5.080 2.124) 6.238 3.989 ( 0.220 0.381 4.978) 4.997 4.070 ( 0.159 0.275 8.475) 8.481 4.174 ( -1.359 -2.354 14.930) 15.175 4.459 ( 4.461 7.726 -3.227) 9.487 4.607 ( -0.579 -1.003 -25.151) 25.178 4.952 ( -0.412 -0.713 -5.906) 5.963 5.189 ( 2.399 4.154 -15.102) 15.845 5.207 ( -3.454 -5.983 2.037) 7.202 5.255 ( -1.419 -2.458 -2.050) 3.501 5.580 ( 5.937 10.282 -1.026) 11.917 6.032 ( 0.590 1.022 13.865) 13.915 6.483 ( 2.610 4.521 16.160) 16.982 6.575 ( -0.042 -0.072 7.604) 7.604 6.980 ( -0.558 -0.967 30.850) 30.870 7.130 ( 1.739 3.012 6.566) 7.430 7.275 ( -1.919 -3.323 6.932) 7.923 7.758 ( 2.295 3.976 7.261) 8.590 8.146 ( -0.037 -0.064 11.373) 11.373 8.187 ( 0.219 0.379 20.356) 20.361 8.492 ( -0.628 -1.087 20.014) 20.053 8.700 ( 0.013 0.022 17.484) 17.484 9.078 ( 1.092 1.892 22.176) 22.283 9.268 ( -0.889 -1.540 29.728) 29.781 9.456 ( -0.423 -0.733 18.865) 18.884 9.685 ( -1.912 -3.312 9.940) 10.650 9.703 ( -5.408 -9.366 8.430) 13.712 11.436 ( 1.518 2.629 -8.265) 8.806 12.279 ( 3.688 6.387 -13.778) 15.628 12.378 ( 1.206 2.088 -4.303) 4.932 12.604 ( -4.060 -7.032 -16.823) 18.680 16.224 ( 0.357 0.618 -3.605) 3.675 16.876 ( 0.023 0.040 17.463) 17.463 16.918 ( -2.256 -3.908 18.807) 19.341 17.940 ( -1.558 -2.698 23.745) 23.948 18.160 ( 3.957 6.854 14.032) 16.110 18.481 ( -3.449 -5.975 5.721) 8.962 18.965 ( 3.398 5.885 -0.647) 6.826 20.050 ( 0.184 0.318 5.710) 5.722 20.071 ( -0.130 -0.226 5.884) 5.889 20.597 ( -2.107 -3.649 71.596) 71.720 23.878 ( 6.416 11.113 23.980) 27.198 24.675 ( -7.325 -12.688 19.390) 24.302 31.239 ( 1.185 2.052 -4.573) 5.150 31.370 ( -0.932 -1.615 -4.074) 4.480 36.164 ( -3.664 -6.346 -0.837) 7.376 37.741 ( 11.998 20.781 -17.311) 29.588 38.704 ( -6.578 -11.393 -19.500) 23.523 40.202 ( 0.626 1.084 -41.429) 41.448 ======================= Grid point 147 (32/80) ======================= q-point: (-0.29 0.57 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -14.772 25.587 -1.307) 29.574 1.883 ( 4.774 -8.269 -7.609) 12.209 2.384 ( 3.200 -5.543 38.000) 38.535 2.429 ( 4.863 -8.423 5.493) 11.170 2.748 ( -0.878 1.520 -0.915) 1.980 2.754 ( -1.203 2.085 -1.043) 2.623 2.880 ( 4.070 -7.050 1.344) 8.250 3.300 ( -0.898 1.556 14.690) 14.800 3.385 ( 2.879 -4.986 13.460) 14.639 3.502 ( -0.759 1.314 9.205) 9.329 3.682 ( 0.115 -0.200 4.361) 4.367 3.697 ( -0.071 0.123 1.282) 1.289 4.011 ( -2.537 4.393 10.045) 11.254 4.075 ( -0.169 0.292 7.646) 7.654 4.140 ( 2.871 -4.973 15.473) 16.504 4.538 ( -1.827 3.164 -16.685) 17.080 4.596 ( 1.369 -2.371 -24.778) 24.928 4.937 ( 0.085 -0.147 -16.574) 16.575 5.137 ( -2.232 3.866 11.592) 12.422 5.220 ( 2.441 -4.227 7.982) 9.356 5.262 ( -1.188 2.058 -23.092) 23.214 5.749 ( -5.984 10.365 4.114) 12.656 5.984 ( 3.375 -5.846 10.930) 12.847 6.482 ( -11.159 19.329 13.091) 25.875 6.603 ( -1.883 3.262 14.665) 15.141 7.006 ( 6.068 -10.511 32.518) 34.709 7.194 ( -1.269 2.198 4.650) 5.298 7.197 ( 0.541 -0.936 8.045) 8.118 7.811 ( -0.736 1.276 5.069) 5.279 8.167 ( 1.836 -3.179 12.490) 13.019 8.168 ( 0.300 -0.519 14.175) 14.187 8.478 ( 1.986 -3.440 20.383) 20.766 8.690 ( 1.194 -2.069 17.170) 17.336 9.159 ( -0.755 1.308 23.317) 23.365 9.218 ( 0.203 -0.351 26.972) 26.975 9.470 ( -3.579 6.199 14.860) 16.495 9.486 ( -0.847 1.467 18.013) 18.092 9.723 ( 10.268 -17.785 9.988) 22.837 11.461 ( -0.907 1.571 -7.839) 8.047 12.386 ( -1.542 2.670 -11.101) 11.521 12.425 ( -1.848 3.201 -12.966) 13.483 12.468 ( -0.803 1.392 -11.764) 11.873 16.241 ( 1.863 -3.227 -3.513) 5.122 16.856 ( 0.200 -0.346 16.619) 16.623 16.888 ( 1.992 -3.450 16.907) 17.370 17.911 ( 1.306 -2.262 24.277) 24.417 18.263 ( -2.308 3.997 13.429) 14.200 18.384 ( 2.362 -4.091 11.594) 12.520 19.028 ( -2.481 4.298 -2.545) 5.577 20.054 ( -0.365 0.631 5.730) 5.776 20.068 ( 0.334 -0.579 5.877) 5.915 20.565 ( 2.966 -5.136 68.816) 69.071 24.039 ( -10.302 17.843 23.836) 31.506 24.495 ( 10.682 -18.503 20.865) 29.863 31.267 ( -2.032 3.519 -4.496) 6.060 31.347 ( 1.681 -2.912 -4.358) 5.505 36.094 ( 1.750 -3.031 0.226) 3.507 38.035 ( -12.302 21.308 -19.804) 31.584 38.512 ( 8.612 -14.916 -20.032) 26.419 40.209 ( -1.828 3.167 -39.143) 39.313 ======================= Grid point 165 (33/80) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 0.000 23.873) 23.873 1.443 ( 0.000 0.000 23.873) 23.873 2.591 ( 0.000 0.000 -0.118) 0.118 2.760 ( 0.000 0.000 -6.061) 6.061 2.760 ( 0.000 0.000 -6.061) 6.061 3.108 ( 0.000 -0.000 -25.132) 25.132 3.108 ( 0.000 0.000 -25.132) 25.132 3.396 ( 0.000 -0.000 1.214) 1.214 3.396 ( 0.000 0.000 1.214) 1.214 3.459 ( 0.000 0.000 19.392) 19.392 3.482 ( 0.000 0.000 -15.552) 15.552 3.744 ( 0.000 0.000 -0.063) 0.063 4.026 ( 0.000 -0.000 2.177) 2.177 4.026 ( 0.000 0.000 2.177) 2.177 4.106 ( 0.000 -0.000 -5.348) 5.348 4.319 ( 0.000 0.000 -30.903) 30.903 4.469 ( 0.000 -0.000 -7.761) 7.761 4.469 ( 0.000 0.000 -7.761) 7.761 5.193 ( 0.000 0.000 32.410) 32.410 5.351 ( 0.000 -0.000 28.907) 28.907 5.351 ( 0.000 -0.000 28.907) 28.907 5.909 ( 0.000 -0.000 2.540) 2.540 5.909 ( 0.000 -0.000 2.540) 2.540 6.067 ( 0.000 0.000 -0.635) 0.635 6.195 ( 0.000 0.000 -0.854) 0.854 7.264 ( 0.000 -0.000 11.963) 11.963 7.264 ( 0.000 -0.000 11.963) 11.963 7.848 ( 0.000 -0.000 17.592) 17.592 7.848 ( 0.000 0.000 17.592) 17.592 8.825 ( 0.000 0.000 17.304) 17.304 9.077 ( 0.000 -0.000 30.622) 30.622 9.207 ( 0.000 0.000 16.934) 16.934 9.207 ( 0.000 -0.000 16.934) 16.934 9.537 ( 0.000 0.000 17.166) 17.166 9.537 ( 0.000 0.000 17.166) 17.166 9.862 ( 0.000 0.000 26.205) 26.205 9.862 ( 0.000 0.000 26.205) 26.205 10.796 ( 0.000 0.000 16.940) 16.940 11.344 ( 0.000 0.000 -6.979) 6.979 11.637 ( 0.000 0.000 -5.426) 5.426 11.637 ( 0.000 -0.000 -5.426) 5.426 12.367 ( 0.000 0.000 0.191) 0.191 16.998 ( 0.000 0.000 -8.834) 8.834 17.632 ( 0.000 0.000 24.304) 24.304 17.632 ( 0.000 0.000 24.304) 24.304 18.112 ( 0.000 0.000 1.834) 1.834 18.112 ( 0.000 0.000 1.834) 1.834 18.415 ( 0.000 0.000 -3.092) 3.092 18.415 ( 0.000 -0.000 -3.092) 3.092 20.132 ( 0.000 0.000 6.117) 6.117 20.226 ( 0.000 0.000 6.768) 6.768 23.864 ( 0.000 0.000 41.166) 41.166 23.864 ( 0.000 -0.000 41.166) 41.166 25.432 ( 0.000 0.000 11.692) 11.692 31.044 ( 0.000 0.000 -2.137) 2.137 31.494 ( 0.000 0.000 -1.077) 1.077 36.278 ( 0.000 -0.000 -3.130) 3.130 36.278 ( 0.000 -0.000 -3.130) 3.130 38.572 ( 0.000 0.000 -14.484) 14.484 38.572 ( 0.000 0.000 -14.484) 14.484 ======================= Grid point 166 (34/80) ======================= q-point: ( 0.14 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 9.373 -2.306 19.905) 22.121 1.659 ( 8.695 11.994 12.536) 19.406 2.599 ( 0.674 0.285 -0.549) 0.915 2.714 ( -5.791 -1.585 -7.010) 9.229 2.737 ( -2.113 -0.538 -5.255) 5.690 2.963 ( -5.814 -8.834 -11.837) 15.874 3.119 ( -2.736 5.969 -21.032) 22.033 3.380 ( 0.602 -0.735 -2.056) 2.265 3.402 ( 2.350 -0.216 0.128) 2.364 3.487 ( -1.619 -1.711 -12.386) 12.608 3.549 ( 6.705 2.435 8.586) 11.163 3.760 ( 1.819 1.184 4.959) 5.413 3.882 ( -4.157 -2.509 -0.206) 4.860 3.990 ( -0.994 -3.580 0.545) 3.755 4.261 ( 4.481 5.751 -5.969) 9.422 4.315 ( -0.940 0.267 -26.597) 26.615 4.503 ( 2.424 1.675 -9.621) 10.062 4.570 ( 8.187 6.084 -9.450) 13.905 5.088 ( -5.687 -6.083 30.660) 31.770 5.366 ( 1.848 0.009 28.919) 28.978 5.395 ( 2.942 2.796 28.657) 28.943 5.832 ( -7.335 -4.169 0.676) 8.464 5.892 ( -1.142 -1.568 0.830) 2.110 6.108 ( 4.819 3.768 2.464) 6.595 6.306 ( 9.776 4.664 2.034) 11.021 7.239 ( -2.328 6.768 11.004) 13.127 7.404 ( 8.744 1.657 19.330) 21.281 7.761 ( -0.892 -4.651 12.664) 13.521 7.929 ( 2.085 1.878 19.228) 19.432 8.778 ( -4.832 -2.316 17.498) 18.300 9.049 ( -6.397 -5.702 20.033) 21.788 9.106 ( -4.751 -1.325 17.914) 18.580 9.162 ( -4.261 -2.579 20.685) 21.276 9.506 ( -0.874 -2.483 21.151) 21.314 9.581 ( 3.142 2.932 17.889) 18.398 9.837 ( -0.683 -0.447 27.590) 27.602 9.888 ( 1.047 0.772 26.062) 26.094 10.773 ( -5.151 -2.043 11.784) 13.022 11.276 ( -3.803 -1.758 -3.125) 5.227 11.715 ( 6.164 3.239 -7.126) 9.963 11.748 ( 10.282 5.754 -7.352) 13.888 12.368 ( -0.471 1.066 -0.367) 1.221 16.808 ( -15.461 -8.582 -7.843) 19.344 17.515 ( -9.186 -5.071 18.723) 21.463 17.556 ( -6.478 -4.239 20.297) 21.724 18.127 ( 1.624 -0.026 1.609) 2.286 18.209 ( 6.837 3.656 3.170) 8.376 18.448 ( 4.208 -0.647 1.455) 4.500 18.538 ( 8.848 7.905 1.030) 11.909 20.137 ( 0.433 0.243 6.159) 6.179 20.223 ( -0.323 -0.209 6.772) 6.783 23.413 ( -35.467 -18.804 53.451) 66.847 23.943 ( 7.635 3.000 40.166) 40.996 25.461 ( 0.064 0.371 14.986) 14.991 31.057 ( 1.137 0.681 -2.376) 2.720 31.451 ( -3.256 -1.873 -0.627) 3.809 36.261 ( -1.356 -0.955 -2.781) 3.238 36.533 ( 19.782 11.525 -9.780) 24.895 38.548 ( -2.109 -1.267 -15.352) 15.548 38.742 ( 14.335 8.358 -21.164) 26.894 ======================= Grid point 167 (35/80) ======================= q-point: ( 0.29 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -14.697 -13.334 4.710) 20.396 1.849 ( 7.738 7.777 7.725) 13.417 2.571 ( -2.907 -2.454 -3.728) 5.326 2.639 ( -0.811 1.435 0.462) 1.712 2.712 ( -0.470 1.566 -2.657) 3.120 2.883 ( 1.025 -2.482 -2.192) 3.466 3.126 ( -3.299 4.420 -14.317) 15.343 3.347 ( -4.360 -6.091 -9.192) 11.857 3.437 ( 1.965 -0.085 -5.923) 6.241 3.469 ( 3.881 1.061 -7.059) 8.125 3.610 ( 0.706 -2.515 -0.665) 2.696 3.771 ( -1.846 -2.677 2.022) 3.830 3.880 ( 2.237 -0.211 -0.665) 2.344 4.028 ( 5.836 5.280 5.466) 9.582 4.277 ( -3.010 0.520 -19.164) 19.406 4.351 ( 0.794 3.632 -8.190) 8.995 4.518 ( -1.841 -2.036 -9.499) 9.888 4.803 ( 9.484 9.332 -8.848) 15.979 4.987 ( 0.582 -4.688 24.278) 24.733 5.411 ( 3.364 0.130 27.341) 27.547 5.464 ( 2.609 0.363 23.859) 24.004 5.669 ( -6.660 -3.299 3.626) 8.270 5.960 ( 10.741 5.870 4.032) 12.887 6.244 ( 6.430 5.715 3.145) 9.160 6.536 ( 10.996 5.345 4.721) 13.106 7.280 ( -1.746 7.701 11.814) 14.210 7.500 ( 1.372 1.065 26.459) 26.516 7.760 ( 3.271 -2.468 11.268) 11.990 7.941 ( -0.141 -1.924 19.839) 19.932 8.591 ( -12.728 -7.927 13.373) 20.092 8.804 ( -10.719 -9.869 14.659) 20.669 8.979 ( -5.616 -2.143 17.609) 18.606 9.125 ( -1.335 -1.687 21.891) 21.996 9.497 ( 1.483 -0.380 24.934) 24.981 9.678 ( 4.935 3.930 20.098) 21.065 9.837 ( 0.781 0.394 27.934) 27.947 9.910 ( 0.601 1.140 25.681) 25.713 10.529 ( -17.524 -7.689 8.610) 20.984 11.254 ( 1.800 -0.996 -0.292) 2.078 11.856 ( 6.192 4.175 -9.607) 12.168 12.039 ( 14.733 8.629 -10.820) 20.214 12.376 ( -1.257 4.104 -1.928) 4.706 16.445 ( -16.723 -9.168 -6.251) 20.070 17.287 ( -10.441 -6.627 10.195) 16.027 17.405 ( -6.031 -4.613 15.686) 17.427 18.155 ( 2.042 -0.819 2.606) 3.411 18.346 ( 6.029 2.821 8.918) 11.129 18.502 ( 2.672 -0.683 6.235) 6.818 18.782 ( 10.399 7.240 4.091) 13.315 20.149 ( 0.729 0.381 6.273) 6.327 20.213 ( -0.528 -0.380 6.783) 6.814 22.671 ( -30.648 -15.659 69.627) 77.669 24.136 ( 10.286 5.300 37.786) 39.518 25.395 ( -6.072 -2.898 21.038) 22.088 31.092 ( 1.991 1.227 -2.912) 3.735 31.383 ( -2.838 -1.589 -1.051) 3.418 36.228 ( -1.316 -0.939 -2.194) 2.725 36.956 ( 16.958 9.784 -14.038) 24.091 38.489 ( -3.049 -1.873 -17.734) 18.092 39.091 ( 15.518 9.135 -33.047) 37.635 ======================= Grid point 168 (36/80) ======================= q-point: ( 0.43 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -12.697 -12.050 1.587) 17.576 2.002 ( 3.391 2.724 6.536) 7.851 2.540 ( 0.710 -1.278 -3.741) 4.017 2.638 ( -1.575 2.277 0.235) 2.779 2.738 ( 0.118 2.380 -3.063) 3.881 2.923 ( 2.997 4.010 1.834) 5.332 3.066 ( -6.400 -0.891 -3.187) 7.205 3.225 ( -0.211 -7.105 -19.114) 20.393 3.488 ( 3.096 0.251 -3.711) 4.839 3.525 ( 0.525 -0.314 -5.427) 5.462 3.595 ( 2.837 -2.718 -6.445) 7.549 3.693 ( -3.259 -2.656 0.494) 4.234 3.918 ( 1.801 0.528 -0.472) 1.935 4.150 ( 1.734 5.073 -3.055) 6.170 4.234 ( -2.511 0.279 -12.806) 13.053 4.349 ( -2.214 -0.715 -7.791) 8.131 4.458 ( -1.347 -0.621 -5.652) 5.843 4.931 ( 3.168 -2.621 14.930) 15.485 5.044 ( 1.883 7.330 -0.802) 7.610 5.421 ( -0.736 -2.790 7.996) 8.501 5.479 ( 2.257 -4.898 19.767) 20.489 5.607 ( 0.418 0.517 21.032) 21.043 6.176 ( 2.278 5.247 6.744) 8.843 6.538 ( 18.126 11.705 4.115) 21.966 6.702 ( 3.246 2.449 5.000) 6.444 7.320 ( 0.504 3.973 14.447) 14.992 7.501 ( -2.869 0.610 24.029) 24.208 7.682 ( -8.533 -4.405 18.759) 21.074 7.922 ( 0.575 -1.998 16.730) 16.859 8.353 ( -3.512 -6.260 9.380) 11.811 8.586 ( -5.355 -5.874 14.237) 16.306 8.919 ( -0.530 -1.434 21.923) 21.976 9.075 ( -1.027 -2.735 20.392) 20.600 9.521 ( 0.177 1.244 25.288) 25.319 9.826 ( 6.883 4.433 21.782) 23.270 9.863 ( 1.508 1.651 26.243) 26.338 9.934 ( 1.843 2.048 23.084) 23.248 10.161 ( -16.925 -7.466 13.124) 22.681 11.278 ( 2.573 -2.739 -0.990) 3.886 11.964 ( 2.125 3.111 -11.049) 11.674 12.263 ( 4.231 2.206 -9.357) 10.503 12.424 ( -0.237 8.178 -7.232) 10.920 16.172 ( -7.414 -4.091 -5.075) 9.872 17.113 ( -3.740 -3.942 6.186) 8.234 17.301 ( -2.150 -2.445 13.079) 13.479 18.172 ( 1.676 -1.959 3.893) 4.669 18.446 ( 3.503 1.378 17.562) 17.961 18.514 ( 0.263 -1.670 3.475) 3.864 18.956 ( 4.295 2.825 5.185) 7.301 20.164 ( 0.556 0.232 6.409) 6.438 20.201 ( -0.386 -0.339 6.779) 6.798 22.231 ( -11.550 -4.135 75.635) 76.624 24.321 ( 5.552 3.256 35.431) 36.011 25.267 ( -4.644 -2.079 25.325) 25.831 31.132 ( 1.249 0.837 -3.377) 3.696 31.336 ( -1.350 -0.679 -1.746) 2.309 36.207 ( -0.435 -0.433 -1.861) 1.960 37.211 ( 6.260 3.558 -12.759) 14.650 38.433 ( -1.555 -1.073 -20.333) 20.421 39.334 ( 5.940 3.647 -39.081) 39.698 ======================= Grid point 173 (37/80) ======================= q-point: ( 0.14 0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -4.506 -7.804 15.572) 17.991 1.874 ( 2.896 5.016 0.830) 5.852 2.573 ( -2.373 -4.110 -1.437) 4.959 2.690 ( 1.013 1.754 -3.264) 3.842 2.730 ( 0.092 0.159 -3.062) 3.068 2.864 ( -0.860 -1.489 -5.253) 5.527 3.161 ( -0.574 -0.994 -12.596) 12.648 3.363 ( -2.407 -4.168 -7.259) 8.710 3.407 ( 1.345 2.330 -3.958) 4.785 3.446 ( -0.203 -0.352 -13.192) 13.198 3.583 ( -0.165 -0.286 2.236) 2.260 3.774 ( -0.826 -1.431 4.932) 5.201 3.846 ( 0.134 0.233 -1.635) 1.657 4.005 ( 3.508 6.076 6.292) 9.424 4.312 ( -0.374 -0.647 -22.528) 22.541 4.358 ( 2.261 3.917 -5.538) 7.150 4.534 ( -0.373 -0.646 -11.745) 11.769 4.741 ( 6.186 10.715 -10.226) 16.052 4.954 ( -3.541 -6.133 28.401) 29.271 5.377 ( 0.619 1.072 29.130) 29.156 5.461 ( 2.071 3.588 26.895) 27.212 5.770 ( -3.091 -5.353 -1.592) 6.383 5.848 ( 3.563 6.171 4.055) 8.199 6.222 ( 3.824 6.623 2.201) 7.958 6.469 ( 6.847 11.859 4.845) 14.526 7.405 ( 4.021 6.965 19.164) 20.783 7.466 ( 3.048 5.280 19.135) 20.083 7.680 ( -0.995 -1.723 7.641) 7.896 7.932 ( -1.194 -2.068 21.114) 21.249 8.689 ( -4.555 -7.889 17.513) 19.740 8.792 ( -10.590 -18.343 14.355) 25.587 9.050 ( -4.296 -7.441 17.616) 19.599 9.119 ( -0.767 -1.329 20.228) 20.286 9.496 ( 1.429 2.475 25.273) 25.434 9.639 ( 1.832 3.172 18.636) 18.992 9.832 ( 0.203 0.352 27.808) 27.811 9.911 ( 0.781 1.352 26.314) 26.360 10.636 ( -7.770 -13.458 8.603) 17.762 11.243 ( -0.790 -1.369 -0.566) 1.678 11.869 ( 6.162 10.673 -9.879) 15.794 11.907 ( 7.024 12.167 -8.763) 16.558 12.409 ( 1.956 3.388 -1.775) 4.295 16.555 ( -9.395 -16.273 -6.813) 19.988 17.375 ( -5.830 -10.098 13.360) 17.733 17.385 ( -6.706 -11.615 14.447) 19.713 18.126 ( -0.119 -0.206 2.944) 2.953 18.316 ( 3.901 6.757 8.071) 11.226 18.490 ( 2.180 3.776 7.087) 8.321 18.720 ( 6.240 10.807 2.011) 12.640 20.145 ( 0.375 0.650 6.217) 6.262 20.215 ( -0.327 -0.566 6.770) 6.801 22.865 ( -19.335 -33.489 65.972) 76.470 24.084 ( 6.573 11.385 38.539) 40.720 25.422 ( -3.165 -5.481 19.435) 20.439 31.083 ( 1.216 2.107 -2.744) 3.667 31.399 ( -1.861 -3.224 -0.851) 3.819 36.218 ( -1.784 -3.090 -1.906) 4.045 36.881 ( 12.789 22.152 -14.523) 29.414 38.486 ( -3.011 -5.215 -16.831) 17.876 39.008 ( 10.140 17.562 -30.020) 36.227 ======================= Grid point 174 (38/80) ======================= q-point: ( 0.29 0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -10.003 -0.294 7.158) 12.304 1.862 ( 0.985 -8.151 -0.942) 8.264 2.499 ( -0.370 -5.560 -1.431) 5.753 2.735 ( -1.754 5.923 -0.822) 6.232 2.755 ( 0.870 3.072 -2.935) 4.336 2.871 ( 2.259 0.143 0.839) 2.414 3.131 ( -1.005 -3.844 -4.048) 5.672 3.234 ( -5.520 -3.081 -13.785) 15.166 3.447 ( 1.101 -0.432 -7.059) 7.157 3.494 ( 3.275 1.463 -10.743) 11.326 3.545 ( -0.355 -2.981 -0.572) 3.056 3.717 ( -2.762 -2.793 0.250) 3.936 3.891 ( 2.824 2.406 -0.942) 3.827 4.130 ( 3.960 3.940 1.984) 5.928 4.287 ( -2.539 -0.316 -16.499) 16.696 4.395 ( -2.912 0.356 -6.870) 7.470 4.452 ( -1.325 -4.575 -5.968) 7.636 4.874 ( 0.153 -2.306 18.414) 18.559 4.946 ( 8.979 0.982 -5.668) 10.663 5.398 ( 0.670 0.560 27.829) 27.843 5.488 ( -1.089 -1.219 21.041) 21.104 5.684 ( -5.410 6.903 2.753) 9.192 6.172 ( 12.945 11.463 5.322) 18.091 6.368 ( 11.429 12.257 3.492) 17.119 6.693 ( 5.837 10.770 6.272) 13.762 7.447 ( -6.240 8.390 17.517) 20.400 7.531 ( 0.851 2.298 23.982) 24.107 7.733 ( 1.941 0.091 9.363) 9.563 7.865 ( -0.170 -6.190 20.866) 21.765 8.397 ( -13.132 -12.267 11.433) 21.299 8.538 ( -2.584 -16.766 14.881) 22.566 8.927 ( -3.119 -3.537 21.026) 21.548 9.057 ( -2.010 -5.311 19.196) 20.018 9.567 ( -0.616 7.114 24.277) 25.305 9.722 ( 7.597 1.027 21.379) 22.712 9.858 ( 1.407 2.066 26.412) 26.530 9.930 ( 0.415 0.654 25.495) 25.506 10.316 ( -13.664 -14.273 11.601) 22.913 11.226 ( 0.607 -1.994 -0.254) 2.100 12.020 ( 0.167 11.496 -11.262) 16.094 12.173 ( 10.889 5.799 -11.405) 16.801 12.488 ( 1.482 6.839 -4.353) 8.242 16.272 ( -9.804 -8.079 -5.531) 13.856 17.146 ( -7.466 -7.743 7.869) 13.327 17.230 ( -0.199 -12.476 10.929) 16.587 18.119 ( 0.979 -2.564 5.148) 5.833 18.434 ( 3.067 5.849 14.273) 15.727 18.542 ( -0.681 3.626 10.375) 11.012 18.905 ( 5.943 5.706 1.798) 8.433 20.159 ( 0.533 0.653 6.339) 6.395 20.203 ( -0.439 -0.658 6.753) 6.799 22.343 ( -13.551 -16.711 73.580) 76.661 24.321 ( 6.325 14.059 35.985) 39.149 25.270 ( -4.821 -10.789 24.555) 27.251 31.131 ( 1.469 2.904 -3.165) 4.539 31.342 ( -1.566 -2.778 -1.695) 3.611 36.166 ( 0.231 -4.685 -0.904) 4.777 37.256 ( 6.739 20.831 -15.546) 26.852 38.372 ( -1.063 -10.693 -19.166) 21.973 39.298 ( 7.179 11.108 -37.064) 39.353 ======================= Grid point 175 (39/80) ======================= q-point: ( 0.43 0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -13.162 22.797 0.122) 26.324 1.820 ( 9.362 -16.216 4.547) 19.269 2.470 ( 4.176 -7.232 -3.659) 9.118 2.748 ( -3.605 6.243 0.234) 7.213 2.777 ( -0.964 1.670 -4.304) 4.717 2.923 ( 3.800 -6.582 1.369) 7.723 3.046 ( -1.766 3.058 3.466) 4.948 3.200 ( -1.523 2.638 -21.080) 21.299 3.437 ( 3.500 -6.062 1.396) 7.138 3.515 ( -0.302 0.523 -4.599) 4.638 3.567 ( 0.387 -0.670 -16.204) 16.223 3.664 ( 0.157 -0.273 2.920) 2.936 3.938 ( -1.119 1.937 -0.127) 2.241 4.194 ( 1.671 -2.894 -8.664) 9.286 4.226 ( -0.104 0.179 -9.973) 9.976 4.343 ( -1.167 2.021 -3.238) 3.992 4.448 ( 0.550 -0.952 -4.843) 4.966 4.864 ( 1.819 -3.150 19.155) 19.498 5.035 ( 4.250 -7.361 -9.485) 12.736 5.410 ( -0.031 0.054 27.253) 27.253 5.450 ( -1.167 2.022 16.746) 16.908 5.692 ( -5.877 10.179 7.469) 13.926 6.261 ( 0.710 -1.229 3.278) 3.572 6.744 ( -4.216 7.303 7.401) 11.220 6.762 ( -3.563 6.172 3.632) 7.999 7.425 ( -4.429 7.672 17.096) 19.255 7.538 ( -1.761 3.050 23.795) 24.055 7.644 ( -0.884 1.532 20.460) 20.537 7.870 ( 2.078 -3.599 11.982) 12.682 8.237 ( 3.365 -5.828 10.974) 12.873 8.414 ( 6.825 -11.820 13.870) 19.459 8.889 ( 0.871 -1.508 23.587) 23.651 9.006 ( 2.202 -3.815 18.863) 19.370 9.589 ( -3.391 5.873 24.301) 25.230 9.841 ( 1.162 -2.012 25.080) 25.187 9.898 ( -0.547 0.948 23.505) 23.531 9.986 ( 0.924 -1.600 19.840) 19.926 10.017 ( 1.323 -2.291 17.730) 17.927 11.222 ( 1.543 -2.672 -0.444) 3.118 12.078 ( -4.556 7.891 -11.828) 14.931 12.289 ( -0.012 0.022 -11.127) 11.127 12.546 ( -2.618 4.534 -6.746) 8.539 16.145 ( -0.632 1.094 -4.835) 4.997 17.044 ( 1.699 -2.944 5.971) 6.871 17.166 ( 5.750 -9.960 9.881) 15.162 18.114 ( 1.899 -3.290 6.065) 7.157 18.501 ( -1.866 3.232 21.347) 21.671 18.541 ( -2.005 3.472 6.399) 7.551 18.984 ( -0.243 0.420 1.861) 1.923 20.169 ( -0.165 0.285 6.434) 6.442 20.194 ( 0.217 -0.375 6.720) 6.734 22.154 ( 1.992 -3.450 75.081) 75.187 24.463 ( -6.398 11.082 34.302) 36.612 25.154 ( 5.451 -9.441 27.153) 29.260 31.163 ( -1.316 2.279 -3.350) 4.260 31.311 ( 1.145 -1.984 -2.117) 3.119 36.145 ( 2.635 -4.564 -0.528) 5.296 37.421 ( -9.668 16.745 -14.786) 24.341 38.301 ( 7.023 -12.165 -20.757) 25.063 39.411 ( -2.178 3.773 -38.994) 39.237 ======================= Grid point 182 (40/80) ======================= q-point: ( 0.29 0.29 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 9.250 16.021 3.510) 18.830 1.672 ( -5.308 -9.194 -5.977) 12.183 2.333 ( -5.902 -10.222 0.295) 11.807 2.799 ( 1.220 2.113 -5.052) 5.610 2.804 ( 0.681 1.180 -2.995) 3.290 2.846 ( -1.305 -2.261 2.824) 3.846 3.095 ( -0.119 -0.207 2.662) 2.673 3.226 ( 1.510 2.615 -7.561) 8.142 3.358 ( -3.877 -6.714 -1.819) 7.964 3.532 ( 1.254 2.173 -12.072) 12.330 3.550 ( 0.806 1.396 -11.434) 11.547 3.667 ( -1.344 -2.328 0.981) 2.862 3.972 ( 3.297 5.711 -2.296) 6.983 4.130 ( -2.916 -5.050 -4.694) 7.486 4.235 ( -1.184 -2.050 -10.402) 10.668 4.388 ( 0.558 0.967 -2.999) 3.201 4.424 ( -0.236 -0.409 -4.641) 4.665 4.834 ( -0.649 -1.125 19.755) 19.798 4.941 ( -0.624 -1.081 -11.935) 12.000 5.423 ( 0.874 1.513 27.680) 27.735 5.457 ( -0.746 -1.293 24.430) 24.475 5.880 ( 6.609 11.448 0.115) 13.219 6.162 ( -4.136 -7.165 -0.175) 8.275 6.775 ( 11.834 20.496 7.552) 24.843 6.874 ( 3.629 6.285 7.338) 10.320 7.556 ( 1.320 2.287 22.604) 22.758 7.567 ( 1.608 2.784 22.051) 22.284 7.704 ( -4.352 -7.538 24.531) 26.029 7.795 ( 1.489 2.579 1.954) 3.562 8.189 ( -4.635 -8.029 12.836) 15.833 8.242 ( -6.660 -11.535 11.367) 17.511 8.874 ( -0.937 -1.623 24.331) 24.403 8.965 ( -1.913 -3.313 18.058) 18.459 9.727 ( 1.579 2.734 22.523) 22.744 9.732 ( 3.755 6.504 22.830) 24.034 9.908 ( 1.698 2.942 24.949) 25.179 9.927 ( -0.605 -1.048 24.000) 24.031 10.046 ( -7.458 -12.917 17.906) 23.304 11.195 ( -0.553 -0.957 -0.090) 1.109 12.194 ( 3.123 5.410 -12.653) 14.111 12.255 ( 1.505 2.607 -12.749) 13.099 12.590 ( 1.925 3.335 -5.337) 6.582 16.169 ( -1.601 -2.773 -4.823) 5.789 17.031 ( -2.677 -4.637 7.337) 9.083 17.033 ( -3.191 -5.527 6.574) 9.163 18.079 ( -0.721 -1.248 6.971) 7.119 18.534 ( 2.438 4.222 18.155) 18.799 18.584 ( 0.064 0.110 15.727) 15.728 18.985 ( 1.434 2.483 -2.177) 3.600 20.172 ( 0.415 0.719 6.472) 6.525 20.189 ( -0.417 -0.722 6.660) 6.712 22.120 ( -3.678 -6.371 74.180) 74.544 24.620 ( 9.371 16.231 33.320) 38.229 25.014 ( -8.654 -14.989 28.837) 33.632 31.195 ( 2.074 3.592 -3.138) 5.201 31.282 ( -1.950 -3.378 -2.507) 4.637 36.095 ( -1.284 -2.223 0.522) 2.620 37.657 ( 11.459 19.847 -17.869) 29.060 38.113 ( -8.994 -15.578 -19.701) 26.678 39.449 ( 2.506 4.341 -38.309) 38.636 ======================= Grid point 186 (41/80) ======================= q-point: (-0.14 0.29 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 4.910 -8.504 14.178) 17.247 1.825 ( -4.147 7.183 1.062) 8.362 2.573 ( 1.903 -3.295 -5.058) 6.329 2.661 ( -0.761 1.318 0.410) 1.576 2.697 ( 1.224 -2.120 -4.947) 5.520 2.980 ( 3.033 -5.253 -7.145) 9.373 3.005 ( -1.185 2.053 -5.803) 6.269 3.397 ( 0.934 -1.617 -11.992) 12.136 3.440 ( -1.497 2.593 -2.920) 4.183 3.467 ( -0.092 0.159 -6.266) 6.269 3.632 ( -1.102 1.909 -0.029) 2.204 3.806 ( -0.999 1.730 7.486) 7.748 3.859 ( -0.260 0.451 -0.687) 0.862 3.994 ( -0.922 1.597 0.160) 1.851 4.276 ( 1.630 -2.823 -19.981) 20.245 4.299 ( -1.379 2.389 -8.405) 8.847 4.552 ( -0.859 1.488 -8.891) 9.055 4.669 ( -3.662 6.342 -11.760) 13.853 5.045 ( 0.986 -1.708 24.798) 24.877 5.394 ( -1.707 2.957 27.896) 28.104 5.477 ( -3.798 6.578 28.567) 29.560 5.733 ( 4.372 -7.572 0.758) 8.776 5.904 ( -3.782 6.551 2.685) 8.027 6.177 ( -2.396 4.150 4.178) 6.358 6.490 ( -7.024 12.167 3.870) 14.572 7.205 ( -1.176 2.038 9.517) 9.804 7.489 ( -1.196 2.072 28.132) 28.234 7.794 ( -0.575 0.996 10.931) 10.991 7.952 ( -0.551 0.954 17.863) 17.897 8.674 ( 4.613 -7.991 15.660) 18.176 8.864 ( 8.988 -15.568 13.246) 22.329 9.023 ( 2.610 -4.521 16.426) 17.236 9.136 ( 0.660 -1.142 24.543) 24.579 9.555 ( -1.918 3.322 21.369) 21.711 9.593 ( -0.696 1.206 22.700) 22.743 9.834 ( -0.131 0.227 28.351) 28.353 9.899 ( -0.309 0.536 25.489) 25.497 10.596 ( 8.975 -15.545 8.559) 19.886 11.266 ( -1.092 1.891 -0.609) 2.267 11.881 ( -6.234 10.798 -8.486) 15.082 11.887 ( -5.845 10.125 -10.756) 15.886 12.342 ( 0.864 -1.497 -1.060) 2.028 16.545 ( 9.570 -16.575 -6.721) 20.285 17.362 ( 5.957 -10.317 15.148) 19.271 17.423 ( 5.324 -9.221 12.956) 16.770 18.156 ( -0.874 1.513 2.646) 3.171 18.327 ( -4.209 7.291 7.743) 11.438 18.545 ( -2.474 4.285 6.369) 8.065 18.681 ( -6.537 11.323 1.926) 13.216 20.146 ( -0.404 0.700 6.256) 6.308 20.216 ( 0.282 -0.488 6.788) 6.812 22.830 ( 20.111 -34.834 66.227) 77.485 24.100 ( -6.405 11.093 38.550) 40.622 25.412 ( 3.437 -5.953 19.772) 20.933 31.082 ( -1.170 2.027 -2.750) 3.611 31.398 ( 1.897 -3.286 -0.877) 3.895 36.221 ( 1.736 -3.007 -1.942) 3.978 36.881 ( -12.845 22.249 -14.556) 29.528 38.488 ( 2.960 -5.127 -16.816) 17.828 39.006 ( -10.060 17.424 -30.001) 36.123 ======================= Grid point 194 (42/80) ======================= q-point: (-0.29 0.43 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 9.170 0.398 5.078) 10.489 1.852 ( -0.866 -5.688 -2.422) 6.242 2.540 ( -0.126 -1.522 -2.485) 2.917 2.665 ( 1.512 1.878 -3.701) 4.417 2.702 ( -1.361 0.211 -1.413) 1.974 2.876 ( 1.705 -4.524 1.598) 5.092 3.046 ( -0.433 -3.216 -0.147) 3.248 3.353 ( 2.716 3.638 -13.853) 14.578 3.488 ( -1.237 3.192 -6.177) 7.062 3.514 ( -2.263 1.983 -5.874) 6.600 3.633 ( 0.900 0.456 0.675) 1.214 3.748 ( 4.710 -2.813 -2.799) 6.159 3.897 ( -2.626 0.686 -1.376) 3.043 4.058 ( -3.363 -0.695 -1.076) 3.598 4.230 ( 0.831 -1.531 -12.124) 12.248 4.336 ( -1.455 0.221 -8.846) 8.967 4.490 ( 4.969 -3.763 -5.506) 8.317 4.789 ( -8.863 -5.413 -8.970) 13.723 5.031 ( 1.730 2.210 17.703) 17.924 5.492 ( -2.341 6.451 24.818) 25.749 5.571 ( 2.188 6.115 9.264) 11.313 5.620 ( 2.197 1.268 19.501) 19.665 6.140 ( -6.413 8.225 2.194) 10.658 6.314 ( -15.672 9.681 7.020) 19.713 6.702 ( -4.342 10.050 5.951) 12.460 7.282 ( -3.168 4.966 12.289) 13.628 7.499 ( 0.305 -0.760 26.079) 26.091 7.751 ( 5.384 -4.963 18.423) 19.825 7.943 ( 1.306 -1.592 14.175) 14.324 8.473 ( 10.508 -5.230 10.458) 15.721 8.607 ( 3.712 -13.463 12.560) 18.783 8.947 ( 2.568 -1.419 20.257) 20.468 9.096 ( 1.671 -2.929 20.035) 20.317 9.559 ( 3.525 4.785 26.378) 27.039 9.699 ( -9.379 0.143 22.747) 24.605 9.847 ( -0.885 0.747 27.462) 27.486 9.910 ( -0.834 0.074 24.425) 24.439 10.260 ( 12.396 -15.789 11.876) 23.324 11.314 ( -0.802 3.548 -1.118) 3.805 11.989 ( 1.226 9.655 -11.559) 15.111 12.155 ( -13.080 2.927 -12.580) 18.383 12.325 ( -0.690 -1.146 -2.348) 2.702 16.263 ( 9.324 -8.244 -5.444) 13.585 17.175 ( 6.124 -5.857 8.577) 12.057 17.268 ( 1.727 -10.152 10.372) 14.616 18.178 ( -0.768 0.328 4.442) 4.520 18.454 ( -2.767 6.916 14.109) 15.955 18.590 ( 2.163 5.186 8.251) 9.983 18.889 ( -7.230 5.742 2.160) 9.482 20.161 ( -0.546 0.776 6.411) 6.481 20.205 ( 0.449 -0.520 6.794) 6.828 22.287 ( 13.056 -19.426 74.293) 77.893 24.324 ( -5.711 13.515 36.250) 39.107 25.254 ( 4.509 -11.404 25.035) 27.877 31.128 ( -1.483 2.766 -3.182) 4.470 31.340 ( 1.575 -2.909 -1.729) 3.733 36.170 ( -0.174 -4.541 -0.946) 4.642 37.257 ( -6.734 20.970 -15.593) 26.986 38.375 ( 1.053 -10.553 -19.175) 21.912 39.294 ( -7.218 10.924 -37.045) 39.290 ======================= Grid point 200 (43/80) ======================= q-point: (-0.43 0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 13.601 23.557 -2.767) 27.342 1.815 ( -9.048 -15.671 2.371) 18.250 2.537 ( -1.026 -1.777 -3.577) 4.124 2.664 ( 1.630 2.823 -4.078) 5.220 2.714 ( -0.833 -1.443 -3.040) 3.467 2.844 ( -2.978 -5.158 4.090) 7.225 3.009 ( -2.363 -4.093 2.869) 5.529 3.363 ( 5.509 9.542 -12.703) 16.816 3.528 ( 0.565 0.978 -3.969) 4.127 3.533 ( 0.706 1.222 -6.754) 6.899 3.650 ( 0.401 0.695 -10.478) 10.509 3.662 ( -0.420 -0.728 3.846) 3.937 3.932 ( 0.022 0.038 -0.878) 0.879 4.068 ( -3.531 -6.115 -8.304) 10.900 4.222 ( 0.056 0.097 -6.481) 6.482 4.345 ( 0.637 1.104 -6.273) 6.401 4.422 ( -1.249 -2.164 -6.220) 6.703 4.836 ( -8.801 -15.244 -5.675) 18.495 5.022 ( 2.471 4.280 14.352) 15.179 5.533 ( 5.791 10.030 -0.565) 11.595 5.568 ( 1.795 3.110 25.455) 25.707 5.638 ( 2.420 4.192 25.908) 26.356 6.192 ( -1.259 -2.181 3.254) 4.115 6.690 ( 1.712 2.965 4.442) 5.609 6.731 ( 3.578 6.197 8.049) 10.770 7.379 ( 2.524 4.372 16.092) 16.865 7.444 ( -0.419 -0.726 22.810) 22.825 7.618 ( -0.827 -1.432 21.891) 21.953 7.911 ( -1.290 -2.235 10.739) 11.044 8.364 ( 0.379 0.657 10.455) 10.482 8.504 ( -3.439 -5.956 11.864) 13.713 8.921 ( -0.090 -0.155 23.003) 23.004 9.061 ( -1.088 -1.885 18.275) 18.404 9.553 ( 2.365 4.097 27.962) 28.359 9.817 ( -2.305 -3.992 26.237) 26.639 9.883 ( -0.209 -0.362 22.788) 22.792 9.964 ( -0.904 -1.565 19.639) 19.722 9.968 ( -1.860 -3.221 19.006) 19.366 11.340 ( 1.534 2.657 -1.604) 3.462 12.023 ( 3.101 5.372 -12.130) 13.624 12.270 ( -1.710 -2.962 -10.362) 10.912 12.344 ( -1.444 -2.500 -6.556) 7.164 16.141 ( 0.470 0.813 -4.786) 4.877 17.094 ( -0.418 -0.724 5.541) 5.604 17.203 ( -4.552 -7.884 10.263) 13.719 18.186 ( -0.303 -0.525 5.266) 5.301 18.520 ( 2.682 4.646 20.829) 21.509 18.586 ( 2.910 5.041 4.118) 7.130 18.979 ( 0.156 0.270 2.452) 2.472 20.172 ( 0.237 0.410 6.510) 6.528 20.197 ( -0.140 -0.242 6.775) 6.781 22.088 ( -3.622 -6.274 76.045) 76.389 24.457 ( 6.134 10.624 34.730) 36.832 25.140 ( -5.790 -10.029 27.622) 29.951 31.160 ( 1.238 2.144 -3.374) 4.185 31.308 ( -1.221 -2.115 -2.150) 3.254 36.150 ( -2.546 -4.410 -0.571) 5.124 37.423 ( 9.746 16.881 -14.825) 24.490 38.305 ( -6.950 -12.038 -20.781) 25.001 39.406 ( 2.075 3.594 -38.985) 39.205 ======================= Grid point 202 (44/80) ======================= q-point: (-0.29 0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -7.948 13.766 -0.293) 15.898 1.700 ( 5.049 -8.745 -9.916) 14.152 2.494 ( 1.763 -3.054 0.702) 3.595 2.688 ( -0.584 1.011 -4.694) 4.837 2.704 ( 0.272 -0.472 -4.379) 4.413 2.792 ( 1.607 -2.783 4.984) 5.930 2.948 ( 2.891 -5.008 5.934) 8.286 3.473 ( -3.602 6.239 -1.690) 7.400 3.532 ( -0.635 1.099 -1.110) 1.687 3.556 ( -1.434 2.484 -14.439) 14.721 3.627 ( 0.499 -0.865 -2.388) 2.589 3.671 ( 2.492 -4.317 -6.236) 7.984 3.924 ( -1.229 2.128 -3.069) 3.932 3.999 ( 2.421 -4.194 -7.189) 8.668 4.223 ( -0.111 0.191 -4.733) 4.738 4.365 ( -1.407 2.437 -6.764) 7.326 4.408 ( 1.860 -3.222 -2.209) 4.327 4.651 ( 3.786 -6.557 -12.208) 14.365 5.068 ( -0.680 1.179 12.954) 13.025 5.592 ( -1.826 3.162 26.705) 26.953 5.610 ( -0.629 1.090 19.945) 19.985 5.791 ( -6.565 11.370 5.749) 14.333 6.085 ( 4.738 -8.207 1.092) 9.539 6.688 ( -11.778 20.400 7.734) 24.793 6.848 ( -1.873 3.244 7.990) 8.825 7.406 ( -3.633 6.293 17.498) 18.947 7.475 ( 1.032 -1.788 23.328) 23.419 7.608 ( 4.657 -8.066 24.608) 26.312 7.877 ( 2.363 -4.093 3.680) 5.990 8.398 ( 2.996 -5.189 11.093) 12.608 8.403 ( 2.189 -3.792 9.610) 10.560 8.919 ( 0.603 -1.045 23.677) 23.708 9.035 ( 1.410 -2.442 17.416) 17.642 9.648 ( -1.657 2.870 27.868) 28.064 9.708 ( -1.176 2.036 25.021) 25.132 9.867 ( -0.832 1.441 23.946) 24.004 9.915 ( -0.285 0.494 23.950) 23.956 9.999 ( 6.236 -10.801 18.641) 22.428 11.366 ( -0.969 1.678 -1.625) 2.529 12.127 ( -1.271 2.201 -13.259) 13.501 12.170 ( -0.922 1.597 -12.823) 12.955 12.340 ( -0.821 1.422 -3.875) 4.209 16.160 ( 1.567 -2.713 -4.678) 5.630 17.090 ( 1.592 -2.758 7.514) 8.161 17.107 ( 3.017 -5.226 6.067) 8.557 18.177 ( 0.098 -0.169 6.399) 6.402 18.573 ( -2.962 5.131 16.622) 17.647 18.640 ( 0.125 -0.216 13.773) 13.775 18.978 ( -1.763 3.054 -2.248) 4.182 20.176 ( -0.463 0.802 6.578) 6.643 20.194 ( 0.390 -0.675 6.743) 6.788 22.026 ( 4.315 -7.474 75.595) 76.086 24.609 ( -8.948 15.499 33.896) 38.330 24.994 ( 8.611 -14.916 29.524) 34.180 31.190 ( -2.044 3.541 -3.174) 5.176 31.278 ( 1.993 -3.453 -2.553) 4.734 36.101 ( 1.262 -2.185 0.465) 2.566 37.661 ( -11.507 19.931 -17.931) 29.175 38.118 ( 8.976 -15.547 -19.744) 26.685 39.442 ( -2.479 4.293 -38.288) 38.607 ======================= Grid point 220 (45/80) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.000 -0.000 3.525) 3.525 1.777 ( 0.000 -0.000 3.525) 3.525 2.454 ( -0.000 0.000 -17.039) 17.039 2.454 ( 0.000 -0.000 -17.039) 17.039 2.550 ( 0.000 -0.000 -4.151) 4.151 2.793 ( 0.000 0.000 -5.477) 5.477 2.793 ( 0.000 -0.000 -5.477) 5.477 3.165 ( 0.000 0.000 -35.407) 35.407 3.242 ( 0.000 0.000 -8.233) 8.233 3.490 ( 0.000 -0.000 6.398) 6.398 3.490 ( 0.000 -0.000 6.398) 6.398 3.958 ( 0.000 0.000 2.609) 2.609 4.023 ( 0.000 0.000 -2.794) 2.794 4.023 ( 0.000 0.000 -2.794) 2.794 4.038 ( 0.000 0.000 -2.316) 2.316 4.044 ( 0.000 0.000 10.716) 10.716 4.257 ( 0.000 0.000 -11.221) 11.221 4.257 ( -0.000 0.000 -11.221) 11.221 5.732 ( 0.000 -0.000 7.129) 7.129 5.732 ( 0.000 0.000 7.129) 7.129 5.752 ( 0.000 -0.000 22.434) 22.434 6.067 ( 0.000 0.000 1.235) 1.235 6.068 ( 0.000 0.000 14.743) 14.743 6.068 ( 0.000 0.000 14.743) 14.743 6.129 ( 0.000 0.000 -5.078) 5.078 7.413 ( 0.000 -0.000 3.890) 3.890 7.413 ( 0.000 -0.000 3.890) 3.890 8.275 ( -0.000 0.000 23.974) 23.974 8.275 ( 0.000 -0.000 23.974) 23.974 9.163 ( 0.000 0.000 16.789) 16.789 9.313 ( 0.000 -0.000 1.166) 1.166 9.313 ( 0.000 0.000 1.166) 1.166 9.604 ( 0.000 0.000 23.060) 23.060 10.075 ( 0.000 0.000 30.846) 30.846 10.075 ( -0.000 -0.000 30.846) 30.846 10.341 ( 0.000 -0.000 22.588) 22.588 10.341 ( 0.000 -0.000 22.588) 22.588 11.036 ( 0.000 0.000 3.119) 3.119 11.341 ( 0.000 -0.000 10.490) 10.490 11.526 ( 0.000 0.000 -6.029) 6.029 11.526 ( 0.000 -0.000 -6.029) 6.029 12.385 ( 0.000 0.000 1.907) 1.907 16.825 ( 0.000 0.000 -8.637) 8.637 17.866 ( -0.000 0.000 1.935) 1.935 17.866 ( 0.000 0.000 1.935) 1.935 18.224 ( 0.000 -0.000 4.352) 4.352 18.224 ( 0.000 0.000 4.352) 4.352 18.427 ( -0.000 -0.000 7.725) 7.725 18.427 ( 0.000 0.000 7.725) 7.725 20.248 ( 0.000 0.000 5.635) 5.635 20.348 ( 0.000 0.000 5.636) 5.636 24.692 ( 0.000 0.000 42.095) 42.095 24.692 ( 0.000 0.000 42.095) 42.095 25.656 ( 0.000 0.000 10.985) 10.985 31.015 ( 0.000 0.000 -0.891) 0.891 31.476 ( 0.000 0.000 -0.786) 0.786 36.226 ( 0.000 0.000 -2.223) 2.223 36.226 ( 0.000 -0.000 -2.223) 2.223 38.299 ( 0.000 0.000 -13.233) 13.233 38.299 ( 0.000 0.000 -13.233) 13.233 ======================= Grid point 221 (46/80) ======================= q-point: ( 0.14 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -2.941 -4.362 -2.948) 6.030 1.846 ( 2.371 3.473 -0.381) 4.222 2.400 ( -3.321 0.395 -12.760) 13.191 2.477 ( 1.150 0.943 -16.197) 16.265 2.592 ( 1.559 0.855 -4.937) 5.247 2.802 ( 1.211 -0.662 -3.392) 3.662 2.811 ( 2.470 1.144 -6.158) 6.733 3.173 ( -3.281 -1.834 -18.983) 19.352 3.218 ( 1.097 0.708 -19.349) 19.393 3.451 ( 0.051 -4.475 2.385) 5.072 3.524 ( 0.452 3.687 5.017) 6.243 3.879 ( -3.539 -3.828 -0.303) 5.222 3.900 ( -3.321 -3.153 -0.898) 4.667 4.012 ( -1.091 -1.986 -4.235) 4.803 4.088 ( 2.811 3.027 8.528) 9.476 4.148 ( 1.302 3.880 -5.452) 6.817 4.313 ( 5.704 2.111 -6.216) 8.697 4.370 ( 8.643 7.624 -9.005) 14.626 5.640 ( -4.875 -5.378 20.400) 21.653 5.717 ( -4.382 -0.318 2.102) 4.870 5.790 ( 2.386 0.178 12.306) 12.536 5.909 ( -5.407 -1.798 5.448) 7.884 6.011 ( 0.984 -1.669 15.076) 15.200 6.199 ( 4.980 3.316 7.892) 9.903 6.308 ( 12.100 5.968 -0.346) 13.496 7.393 ( -3.210 9.050 4.885) 10.774 7.613 ( 16.843 0.872 3.266) 17.179 8.162 ( -4.521 -3.629 25.574) 26.223 8.362 ( 2.391 1.940 23.630) 23.829 9.074 ( -10.343 -3.028 10.523) 15.063 9.206 ( -4.779 -9.267 4.367) 11.304 9.314 ( -3.216 2.652 7.678) 8.736 9.583 ( -1.283 -2.532 20.744) 20.938 10.059 ( -1.138 0.044 30.562) 30.583 10.096 ( 2.435 0.221 29.701) 29.801 10.337 ( 0.273 -0.086 23.581) 23.583 10.363 ( 0.870 1.060 22.419) 22.461 10.952 ( -8.198 -3.970 4.322) 10.082 11.325 ( -1.053 -0.177 8.846) 8.910 11.584 ( 4.588 2.465 -6.188) 8.088 11.613 ( 8.298 4.640 -6.295) 11.402 12.375 ( -1.319 0.364 1.346) 1.920 16.652 ( -14.140 -7.879 -7.848) 17.989 17.703 ( -13.596 -8.663 2.824) 16.367 17.777 ( -7.475 -4.273 3.888) 9.447 18.181 ( -0.476 -1.264 2.752) 3.065 18.250 ( 4.762 3.382 0.080) 5.841 18.571 ( 11.439 3.104 9.696) 15.313 18.626 ( 10.996 9.642 8.446) 16.888 20.253 ( 0.475 0.254 5.634) 5.660 20.345 ( -0.275 -0.181 5.669) 5.678 24.376 ( -24.481 -12.870 44.914) 52.747 24.754 ( 5.925 2.336 41.281) 41.769 25.759 ( 5.617 3.438 15.231) 16.594 31.024 ( 0.817 0.496 -1.037) 1.410 31.444 ( -2.679 -1.530 -0.163) 3.090 36.215 ( -0.877 -0.622 -1.933) 2.212 36.391 ( 13.863 8.081 -5.359) 16.918 38.261 ( -3.403 -2.039 -13.805) 14.364 38.377 ( 6.654 3.930 -16.475) 18.197 ======================= Grid point 222 (47/80) ======================= q-point: ( 0.29 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -19.871 -13.204 -3.990) 24.190 1.966 ( 6.593 5.732 -5.495) 10.320 2.365 ( -2.091 -0.274 -11.949) 12.134 2.510 ( 0.846 2.929 -15.245) 15.547 2.577 ( -2.178 -1.838 -9.485) 9.903 2.814 ( 1.446 -1.965 -1.615) 2.926 2.891 ( 3.437 2.541 -5.028) 6.599 3.092 ( -3.310 -3.104 -12.462) 13.263 3.176 ( -4.222 -2.186 -19.241) 19.820 3.456 ( 3.476 -1.658 0.038) 3.851 3.572 ( 2.181 1.490 1.612) 3.095 3.787 ( -3.731 -3.456 -0.321) 5.096 3.881 ( 1.766 -0.438 0.636) 1.927 3.978 ( -0.427 -0.511 -6.733) 6.766 4.123 ( -0.645 0.311 -0.322) 0.786 4.190 ( 0.104 3.586 -7.925) 8.699 4.390 ( -0.154 1.113 -1.994) 2.289 4.673 ( 14.616 11.489 -3.000) 18.832 5.519 ( -4.375 -4.865 21.060) 22.053 5.578 ( -7.455 -3.665 0.955) 8.362 5.814 ( 2.155 -1.802 10.425) 10.796 5.942 ( 6.319 3.707 12.570) 14.549 6.113 ( 9.813 6.385 13.437) 17.822 6.302 ( 5.495 2.217 3.969) 7.132 6.575 ( 11.900 6.823 0.236) 13.719 7.447 ( -0.649 8.529 5.358) 10.093 7.882 ( 12.028 1.201 4.192) 12.794 8.078 ( -2.482 -2.057 26.979) 27.171 8.384 ( -0.375 -0.465 24.363) 24.370 8.777 ( -17.313 -9.163 6.449) 20.623 8.991 ( -10.232 -8.165 6.804) 14.753 9.305 ( 0.189 0.798 16.439) 16.459 9.509 ( -3.739 -4.415 16.513) 17.497 10.057 ( 0.847 0.044 29.506) 29.518 10.160 ( 4.407 1.566 27.017) 27.419 10.343 ( 0.355 0.110 24.094) 24.097 10.382 ( 0.055 1.321 22.556) 22.594 10.726 ( -12.858 -5.367 10.774) 17.613 11.313 ( 0.460 -1.462 5.796) 5.995 11.693 ( 4.757 3.693 -7.041) 9.265 11.849 ( 12.026 7.337 -8.632) 16.522 12.357 ( -2.419 2.587 0.071) 3.543 16.318 ( -15.352 -8.471 -6.469) 18.689 17.381 ( -13.496 -8.899 1.190) 16.209 17.602 ( -7.299 -5.349 5.509) 10.594 18.190 ( 1.786 -0.559 1.184) 2.215 18.378 ( 5.459 3.262 -1.312) 6.494 18.759 ( 7.481 2.904 14.197) 16.308 18.888 ( 10.561 7.321 6.552) 14.424 20.267 ( 0.815 0.395 5.640) 5.712 20.337 ( -0.478 -0.351 5.737) 5.768 23.857 ( -22.126 -11.285 52.303) 57.901 24.904 ( 7.968 4.016 39.253) 40.254 25.816 ( -0.536 0.013 21.400) 21.407 31.051 ( 1.615 1.009 -1.329) 2.322 31.378 ( -3.148 -1.753 0.383) 3.624 36.193 ( -0.898 -0.641 -1.411) 1.791 36.734 ( 16.007 9.246 -8.943) 20.535 38.161 ( -5.417 -3.241 -15.549) 16.782 38.546 ( 7.886 4.704 -23.375) 25.114 ======================= Grid point 223 (48/80) ======================= q-point: ( 0.43 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -12.609 -9.397 -1.030) 15.759 2.112 ( 3.094 4.727 -1.499) 5.845 2.347 ( 1.288 1.195 -20.737) 20.811 2.464 ( -4.896 -3.499 -12.416) 13.798 2.592 ( 2.193 1.901 -12.823) 13.147 2.798 ( -1.424 -1.044 -5.761) 6.026 2.918 ( -0.886 0.125 -11.930) 11.963 3.016 ( -0.834 -3.941 -4.216) 5.831 3.141 ( 0.816 0.054 -16.362) 16.383 3.485 ( 0.933 -0.653 0.177) 1.152 3.620 ( 3.425 -1.314 3.013) 4.747 3.715 ( -1.628 -2.075 0.477) 2.680 3.890 ( 0.121 -0.428 -3.269) 3.300 4.015 ( 2.614 2.577 -4.137) 5.531 4.086 ( -2.714 -1.430 -2.823) 4.168 4.232 ( 1.326 3.236 -9.442) 10.068 4.338 ( -4.646 -0.596 0.179) 4.687 4.953 ( 7.164 8.280 -2.303) 11.188 5.369 ( -7.231 -3.318 4.600) 9.190 5.490 ( -0.209 -3.051 17.196) 17.465 5.828 ( 2.687 -4.026 11.135) 12.141 6.051 ( 3.321 0.452 18.903) 19.197 6.291 ( 0.081 5.231 5.937) 7.913 6.576 ( 18.651 10.108 0.753) 21.227 6.754 ( 2.916 1.852 1.054) 3.612 7.524 ( 2.225 4.502 6.353) 8.098 7.925 ( -6.064 -3.418 8.630) 11.087 8.032 ( -1.917 0.019 25.532) 25.604 8.291 ( -6.031 -4.291 14.351) 16.147 8.564 ( 1.232 -2.200 16.754) 16.943 8.790 ( -5.403 -4.833 8.656) 11.290 9.324 ( 1.328 0.100 19.165) 19.211 9.405 ( -3.187 -3.338 13.429) 14.200 10.074 ( 1.138 -0.729 28.804) 28.836 10.264 ( 5.887 2.414 23.173) 24.031 10.344 ( -0.987 -0.178 22.406) 22.428 10.391 ( -0.098 1.735 23.026) 23.092 10.491 ( -9.544 -3.274 20.071) 22.465 11.311 ( 1.518 -2.679 3.897) 4.967 11.782 ( 1.506 3.091 -7.700) 8.432 12.056 ( 5.328 3.306 -10.456) 12.192 12.353 ( -2.748 5.369 -1.351) 6.180 16.068 ( -6.745 -3.764 -5.368) 9.406 17.162 ( -4.850 -4.371 0.047) 6.529 17.477 ( -2.481 -3.107 5.764) 7.002 18.210 ( 1.520 -1.317 0.761) 2.151 18.462 ( 2.123 1.068 -1.971) 3.088 18.857 ( 2.374 1.114 17.049) 17.249 19.063 ( 4.416 2.613 5.396) 7.447 20.283 ( 0.616 0.228 5.646) 5.684 20.325 ( -0.366 -0.332 5.795) 5.817 23.529 ( -8.837 -3.347 57.070) 57.847 25.044 ( 4.211 2.300 37.133) 37.442 25.778 ( -2.004 -0.856 26.010) 26.101 31.085 ( 1.075 0.737 -1.523) 2.005 31.324 ( -1.614 -0.821 0.287) 1.833 36.178 ( -0.309 -0.304 -1.093) 1.176 37.002 ( 7.331 4.191 -8.786) 12.186 38.056 ( -3.235 -2.022 -17.935) 18.336 38.676 ( 3.305 2.101 -28.414) 28.683 ======================= Grid point 228 (49/80) ======================= q-point: ( 0.14 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -6.135 -10.626 0.195) 12.271 1.835 ( -2.110 -3.655 -7.667) 8.752 2.399 ( -0.175 -0.303 -13.158) 13.162 2.507 ( 0.867 1.503 -20.370) 20.444 2.618 ( 0.413 0.715 -4.513) 4.588 2.796 ( 0.893 1.548 -0.061) 1.788 2.859 ( 2.210 3.828 -7.236) 8.479 3.141 ( -3.069 -5.315 -6.686) 9.076 3.184 ( -1.789 -3.098 -25.698) 25.946 3.392 ( 0.302 0.522 0.727) 0.945 3.581 ( 1.004 1.739 3.390) 3.940 3.806 ( -2.936 -5.084 -0.549) 5.897 3.852 ( 0.508 0.880 0.906) 1.361 3.981 ( -0.644 -1.115 -7.544) 7.654 4.134 ( 0.505 0.874 1.078) 1.477 4.210 ( 1.505 2.607 -7.521) 8.101 4.429 ( 3.699 6.407 3.309) 8.104 4.541 ( 6.147 10.648 -9.758) 15.697 5.520 ( -3.660 -6.339 23.728) 24.831 5.672 ( -3.110 -5.387 -3.338) 7.059 5.784 ( 0.755 1.308 10.986) 11.090 5.953 ( 4.780 8.280 7.430) 12.108 5.988 ( 0.942 1.632 19.799) 19.889 6.282 ( 2.666 4.617 5.189) 7.439 6.508 ( 8.012 13.877 0.241) 16.026 7.602 ( 2.836 4.913 0.261) 5.679 7.679 ( 6.591 11.415 8.108) 15.476 8.089 ( -1.735 -3.005 26.576) 26.801 8.378 ( -0.584 -1.011 24.245) 24.273 8.948 ( -9.244 -16.012 4.514) 19.032 8.962 ( -6.548 -11.341 10.005) 16.480 9.327 ( -0.357 -0.618 13.439) 13.457 9.504 ( -3.067 -5.312 18.056) 19.070 10.069 ( 0.721 1.249 30.233) 30.268 10.113 ( 1.082 1.873 26.733) 26.821 10.340 ( 0.286 0.495 24.480) 24.486 10.388 ( 0.728 1.261 22.542) 22.588 10.811 ( -6.082 -10.535 8.431) 14.800 11.306 ( -1.047 -1.814 6.661) 6.983 11.714 ( 4.991 8.645 -5.953) 11.623 11.736 ( 5.765 9.985 -8.657) 14.418 12.393 ( 0.936 1.622 0.174) 1.881 16.419 ( -8.680 -15.034 -6.949) 18.698 17.510 ( -7.853 -13.602 2.413) 15.890 17.544 ( -8.419 -14.582 3.452) 17.188 18.163 ( 0.219 0.379 1.036) 1.124 18.424 ( 6.143 10.639 2.039) 12.453 18.665 ( 4.171 7.224 9.719) 12.808 18.837 ( 6.140 10.636 9.354) 15.437 20.262 ( 0.405 0.701 5.632) 5.690 20.339 ( -0.298 -0.515 5.725) 5.756 23.993 ( -13.861 -24.008 50.077) 57.238 24.866 ( 5.227 9.053 39.948) 41.293 25.810 ( 0.230 0.398 19.757) 19.762 31.044 ( 1.011 1.752 -1.243) 2.374 31.395 ( -1.966 -3.405 0.302) 3.944 36.187 ( -1.141 -1.977 -1.219) 2.588 36.657 ( 10.667 18.476 -8.861) 23.101 38.176 ( -3.952 -6.846 -14.653) 16.649 38.510 ( 5.318 9.211 -21.641) 24.114 ======================= Grid point 229 (50/80) ======================= q-point: ( 0.29 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -20.857 2.441 -0.028) 21.000 1.834 ( 13.468 -16.394 -4.766) 21.746 2.387 ( -1.295 0.150 -13.420) 13.483 2.533 ( -1.776 1.091 -20.193) 20.301 2.586 ( -1.569 -0.027 -12.869) 12.965 2.840 ( -0.393 4.919 -2.019) 5.332 2.925 ( 1.396 0.252 -8.864) 8.977 3.015 ( -4.468 -4.470 -4.303) 7.646 3.111 ( -0.163 -4.716 -21.584) 22.094 3.455 ( 3.382 1.927 1.502) 4.172 3.583 ( -0.186 -1.008 2.960) 3.132 3.722 ( -2.398 -3.417 -0.123) 4.176 3.893 ( 1.054 2.493 -0.082) 2.708 3.988 ( 1.995 1.158 -6.838) 7.217 4.115 ( -2.103 -1.586 -3.525) 4.400 4.254 ( 0.773 3.283 -7.799) 8.497 4.423 ( -5.729 0.404 3.449) 6.699 4.773 ( 13.102 0.057 -6.482) 14.618 5.425 ( -2.099 -4.166 24.446) 24.887 5.559 ( -7.031 2.276 -2.591) 7.832 5.815 ( -0.169 1.839 13.291) 13.418 6.020 ( 1.380 2.907 19.097) 19.366 6.251 ( 11.352 1.434 3.997) 12.120 6.428 ( 11.774 18.751 3.365) 22.395 6.755 ( 5.682 11.616 1.104) 12.978 7.624 ( -4.998 9.030 2.603) 10.644 7.891 ( 7.939 -0.136 7.802) 11.131 8.065 ( -0.623 0.876 24.704) 24.728 8.307 ( -4.541 -8.389 21.234) 23.278 8.602 ( -12.068 -8.125 12.170) 18.967 8.756 ( -2.898 -16.182 9.259) 18.868 9.319 ( -0.286 0.427 18.800) 18.807 9.396 ( -2.663 -6.979 14.917) 16.682 10.093 ( -1.315 3.752 27.186) 27.475 10.178 ( 5.763 0.256 24.101) 24.782 10.356 ( 0.296 1.417 24.491) 24.533 10.400 ( 0.070 0.353 22.645) 22.648 10.597 ( -8.526 -7.779 16.749) 20.340 11.273 ( -0.150 -2.454 4.685) 5.291 11.833 ( -0.035 9.648 -7.983) 12.522 11.963 ( 9.822 4.729 -9.934) 14.749 12.433 ( -0.126 5.105 -1.437) 5.305 16.160 ( -8.860 -7.289 -5.797) 12.854 17.219 ( -10.141 -8.124 0.998) 13.032 17.360 ( 1.396 -16.745 3.518) 17.167 18.173 ( 1.075 -0.960 1.350) 1.975 18.572 ( -2.295 14.094 2.120) 14.436 18.811 ( 6.347 2.929 13.163) 14.904 18.995 ( 5.305 3.048 7.252) 9.488 20.278 ( 0.596 0.728 5.651) 5.729 20.327 ( -0.423 -0.668 5.783) 5.837 23.605 ( -10.162 -13.710 55.506) 58.070 25.053 ( 4.581 11.508 37.459) 39.454 25.763 ( -1.753 -6.178 25.078) 25.887 31.086 ( 1.263 2.861 -1.400) 3.427 31.329 ( -1.865 -3.456 0.215) 3.933 36.154 ( 0.079 -2.976 -0.385) 3.002 37.000 ( 8.403 18.146 -10.779) 22.718 38.025 ( -3.326 -11.204 -16.107) 19.900 38.671 ( 3.720 7.408 -27.420) 28.646 ======================= Grid point 230 (51/80) ======================= q-point: ( 0.43 0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -10.762 18.640 -2.002) 21.617 1.889 ( 11.691 -20.250 -0.214) 23.384 2.373 ( 2.442 -4.230 -7.222) 8.719 2.474 ( -3.518 6.093 -28.402) 29.261 2.608 ( 0.218 -0.378 -14.232) 14.239 2.862 ( -3.421 5.926 -6.905) 9.721 2.914 ( 0.412 -0.714 -16.383) 16.403 2.952 ( 1.266 -2.193 -0.539) 2.589 3.106 ( 2.258 -3.912 -14.455) 15.144 3.490 ( -0.472 0.818 1.121) 1.466 3.583 ( 1.386 -2.400 4.858) 5.593 3.679 ( 0.967 -1.675 -0.826) 2.103 3.913 ( -1.587 2.749 -2.704) 4.169 4.048 ( 0.414 -0.717 -1.898) 2.070 4.054 ( 0.354 -0.612 -5.875) 5.918 4.290 ( -1.561 2.704 -8.126) 8.705 4.353 ( -1.123 1.944 2.776) 3.570 4.889 ( 6.598 -11.427 -5.346) 14.237 5.381 ( -0.266 0.461 22.094) 22.101 5.516 ( -5.463 9.463 0.618) 10.944 5.819 ( -0.819 1.419 13.069) 13.172 6.050 ( 0.130 -0.225 19.033) 19.035 6.303 ( 3.152 -5.460 2.913) 6.945 6.791 ( -5.258 9.107 0.025) 10.516 6.825 ( -4.199 7.274 1.902) 8.612 7.632 ( -4.108 7.115 4.520) 9.377 7.898 ( -1.029 1.782 9.500) 9.720 8.068 ( -1.645 2.849 24.184) 24.406 8.164 ( 4.605 -7.977 11.872) 15.026 8.517 ( 1.917 -3.321 20.820) 21.170 8.637 ( 6.201 -10.741 10.711) 16.387 9.324 ( 0.092 -0.159 20.579) 20.580 9.327 ( 2.265 -3.923 13.618) 14.351 10.097 ( -1.776 3.077 25.891) 26.133 10.261 ( 2.025 -3.508 19.273) 19.694 10.346 ( -0.997 1.726 23.574) 23.659 10.435 ( -0.446 0.772 23.118) 23.135 10.443 ( 0.314 -0.543 24.726) 24.734 11.261 ( 1.322 -2.289 3.942) 4.746 11.880 ( -3.787 6.560 -8.480) 11.370 12.071 ( 0.747 -1.294 -10.648) 10.752 12.462 ( -3.007 5.208 -2.421) 6.483 16.046 ( -0.687 1.191 -5.178) 5.358 17.094 ( 1.426 -2.469 0.312) 2.868 17.289 ( 7.728 -13.385 3.638) 15.878 18.177 ( 1.066 -1.847 1.571) 2.649 18.618 ( -7.309 12.660 1.553) 14.701 18.880 ( -0.553 0.957 16.570) 16.607 19.054 ( 1.983 -3.435 4.836) 6.254 20.289 ( -0.195 0.338 5.666) 5.679 20.318 ( 0.249 -0.432 5.808) 5.830 23.454 ( 2.252 -3.900 57.457) 57.633 25.161 ( -5.411 9.372 35.761) 37.363 25.702 ( 4.005 -6.937 27.879) 29.007 31.117 ( -1.466 2.539 -1.414) 3.255 31.291 ( 1.454 -2.519 -0.011) 2.908 36.140 ( 1.656 -2.868 -0.063) 3.312 37.175 ( -7.486 12.966 -10.463) 18.265 37.925 ( 6.281 -10.878 -17.413) 21.471 38.739 ( -2.101 3.639 -29.716) 30.011 ======================= Grid point 237 (52/80) ======================= q-point: ( 0.29 0.29 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 3.722 6.447 -0.031) 7.444 1.549 ( -3.404 -5.895 -7.233) 9.933 2.311 ( -3.880 -6.720 -2.643) 8.197 2.564 ( 0.297 0.515 -22.327) 22.335 2.581 ( 0.777 1.345 -20.015) 20.076 2.900 ( -1.048 -1.815 -18.120) 18.241 2.919 ( 1.501 2.599 -2.992) 4.238 2.971 ( -0.495 -0.857 -1.523) 1.817 3.027 ( -1.708 -2.958 -19.268) 19.568 3.504 ( 1.464 2.536 4.018) 4.972 3.552 ( -0.859 -1.488 4.361) 4.688 3.660 ( -1.502 -2.601 -1.921) 3.565 3.959 ( 1.999 3.463 -0.542) 4.036 4.009 ( 0.614 1.063 -5.358) 5.497 4.061 ( -2.127 -3.683 -3.373) 5.429 4.316 ( 1.916 3.318 -4.393) 5.829 4.388 ( -1.810 -3.134 3.023) 4.715 4.743 ( -1.020 -1.766 -8.593) 8.832 5.375 ( -0.772 -1.337 26.022) 26.068 5.680 ( 4.890 8.470 -0.956) 9.826 5.828 ( -0.803 -1.390 10.954) 11.071 6.062 ( 1.285 2.225 16.479) 16.679 6.183 ( -3.216 -5.570 4.870) 8.067 6.850 ( 10.645 18.437 1.376) 21.334 6.943 ( 3.532 6.118 1.016) 7.137 7.751 ( 2.304 3.990 -0.312) 4.618 7.914 ( 2.509 4.346 11.242) 12.311 8.065 ( -1.568 -2.716 17.941) 18.213 8.113 ( -6.185 -10.713 15.886) 20.134 8.483 ( -4.348 -7.532 16.065) 18.268 8.485 ( -3.028 -5.245 20.062) 20.956 9.287 ( -2.086 -3.614 14.235) 14.834 9.323 ( 0.056 0.098 21.179) 21.179 10.164 ( 0.760 1.317 21.860) 21.913 10.185 ( 1.297 2.247 22.258) 22.408 10.389 ( -0.503 -0.872 24.150) 24.171 10.396 ( 1.243 2.153 24.623) 24.748 10.466 ( -3.153 -5.461 23.498) 24.329 11.238 ( -0.626 -1.084 3.998) 4.189 11.978 ( 2.482 4.300 -9.529) 10.745 12.027 ( 1.255 2.174 -10.604) 10.897 12.515 ( 1.622 2.810 -2.476) 4.082 16.070 ( -1.322 -2.289 -5.171) 5.807 17.095 ( -3.345 -5.794 0.975) 6.761 17.113 ( -3.447 -5.971 1.979) 7.173 18.157 ( -0.322 -0.558 2.137) 2.232 18.808 ( 5.070 8.781 6.620) 12.109 18.862 ( 1.669 2.891 12.196) 12.644 18.990 ( -1.867 -3.234 5.227) 6.424 20.293 ( 0.485 0.840 5.709) 5.791 20.313 ( -0.467 -0.808 5.783) 5.858 23.413 ( -3.282 -5.684 57.506) 57.880 25.294 ( 7.405 12.826 34.378) 37.433 25.595 ( -6.163 -10.675 29.508) 31.980 31.153 ( 2.274 3.939 -1.151) 4.691 31.255 ( -2.366 -4.098 -0.388) 4.748 36.108 ( -0.839 -1.453 0.752) 1.838 37.355 ( 10.341 17.912 -13.153) 24.511 37.767 ( -8.658 -14.996 -15.528) 23.258 38.777 ( 1.863 3.227 -30.224) 30.453 ======================= Grid point 241 (53/80) ======================= q-point: (-0.14 0.29 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 7.158 -12.398 1.592) 14.404 1.768 ( 1.435 -2.486 -10.792) 11.167 2.395 ( -1.188 2.058 -11.932) 12.167 2.461 ( 0.667 -1.156 -15.320) 15.378 2.609 ( 0.114 -0.198 -7.426) 7.430 2.835 ( -0.794 1.375 -4.274) 4.559 2.869 ( -2.860 4.954 -3.016) 6.467 3.147 ( 1.650 -2.859 -7.494) 8.189 3.179 ( 2.109 -3.654 -26.782) 27.112 3.478 ( -0.771 1.335 3.229) 3.578 3.555 ( -2.618 4.535 -0.180) 5.240 3.825 ( 3.032 -5.251 -1.456) 6.236 3.889 ( -0.686 1.189 1.693) 2.180 3.995 ( 1.053 -1.825 -5.678) 6.056 4.119 ( -0.750 1.298 3.173) 3.510 4.143 ( -0.497 0.860 -7.123) 7.192 4.444 ( -3.708 6.422 -10.166) 12.583 4.453 ( -3.765 6.521 1.644) 7.707 5.573 ( 2.261 -3.917 22.626) 23.074 5.642 ( 3.340 -5.785 -2.764) 7.229 5.805 ( -1.688 2.925 14.000) 14.402 5.949 ( -4.059 7.031 1.944) 8.349 6.038 ( -1.781 3.086 20.060) 20.374 6.277 ( -2.611 4.523 6.862) 8.623 6.512 ( -7.651 13.251 -0.447) 15.308 7.360 ( -1.953 3.382 5.880) 7.058 7.865 ( -6.402 11.088 2.605) 13.066 8.107 ( 1.757 -3.043 27.866) 28.087 8.376 ( 0.246 -0.426 23.791) 23.796 8.877 ( 7.613 -13.185 5.364) 16.143 9.056 ( 8.116 -14.057 7.479) 17.872 9.301 ( -0.865 1.498 14.610) 14.712 9.550 ( 2.466 -4.272 17.557) 18.237 10.068 ( -1.194 2.068 28.651) 28.750 10.136 ( -1.396 2.418 29.487) 29.619 10.346 ( -0.272 0.471 24.217) 24.223 10.365 ( 0.020 -0.034 22.206) 22.206 10.778 ( 7.107 -12.310 8.947) 16.796 11.326 ( -0.532 0.922 6.123) 6.214 11.716 ( -4.522 7.832 -6.466) 11.117 11.718 ( -4.906 8.498 -8.147) 12.754 12.336 ( 1.446 -2.505 0.654) 2.966 16.411 ( 8.811 -15.262 -6.834) 18.902 17.540 ( 7.577 -13.123 4.385) 15.775 17.548 ( 7.439 -12.885 1.827) 14.990 18.186 ( -0.967 1.675 0.651) 2.040 18.421 ( -6.273 10.866 1.247) 12.609 18.698 ( -4.135 7.162 8.580) 11.917 18.809 ( -6.315 10.938 10.193) 16.230 20.263 ( -0.453 0.784 5.646) 5.718 20.340 ( 0.252 -0.437 5.709) 5.731 23.967 ( 14.393 -24.929 50.684) 58.288 24.879 ( -5.157 8.932 39.703) 41.021 25.805 ( -0.093 0.161 19.924) 19.925 31.043 ( -0.966 1.672 -1.234) 2.292 31.394 ( 2.007 -3.476 0.300) 4.025 36.190 ( 1.107 -1.918 -1.279) 2.557 36.656 ( -10.702 18.537 -8.851) 23.162 38.178 ( 3.911 -6.775 -14.656) 16.613 38.508 ( -5.257 9.105 -21.616) 24.037 ======================= Grid point 249 (54/80) ======================= q-point: (-0.29 0.43 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 21.150 2.101 -2.014) 21.349 1.797 ( -13.608 -17.004 -6.157) 22.633 2.404 ( 2.638 4.490 -14.509) 15.415 2.489 ( -2.763 -0.547 -11.859) 12.189 2.573 ( 1.840 -1.409 -12.517) 12.730 2.825 ( 1.842 -3.190 -3.247) 4.911 2.948 ( 0.531 5.032 -11.813) 12.852 3.079 ( 3.643 -1.262 -8.524) 9.355 3.118 ( -0.806 -2.443 -19.426) 19.595 3.522 ( 0.661 4.779 3.087) 5.727 3.629 ( -2.330 2.628 0.619) 3.566 3.734 ( 1.977 -3.745 0.062) 4.236 3.912 ( 0.333 1.658 0.622) 1.802 3.975 ( -0.962 -0.500 -4.793) 4.914 4.110 ( 1.728 -1.025 -1.015) 2.251 4.180 ( -2.875 1.288 -7.231) 7.888 4.403 ( 8.036 1.218 -1.968) 8.363 4.662 ( -16.258 -8.168 -2.848) 18.416 5.490 ( 7.069 0.982 12.666) 14.539 5.548 ( 2.733 0.444 7.866) 8.339 5.909 ( -1.629 5.291 12.980) 14.111 6.058 ( 0.026 6.324 14.680) 15.984 6.174 ( -8.780 1.262 5.013) 10.189 6.434 ( -12.316 13.002 5.510) 18.737 6.752 ( -5.615 11.303 0.483) 12.630 7.476 ( -4.978 7.288 6.598) 11.019 7.958 ( 0.890 -1.551 8.585) 8.769 8.065 ( 2.902 -0.558 23.797) 23.979 8.308 ( 4.163 -9.812 20.009) 22.671 8.634 ( 7.577 -3.921 8.060) 11.736 8.811 ( 4.899 -12.000 10.389) 16.611 9.328 ( -0.443 1.834 18.545) 18.640 9.437 ( 4.097 -6.233 14.204) 16.044 10.114 ( 0.515 5.048 28.483) 28.931 10.202 ( -5.009 1.376 27.476) 27.962 10.345 ( 0.603 -0.075 23.256) 23.264 10.367 ( -0.866 -0.892 22.457) 22.491 10.547 ( 7.695 -9.382 16.639) 20.594 11.348 ( -0.051 2.335 4.030) 4.658 11.794 ( 1.133 7.430 -8.358) 11.240 11.936 ( -11.047 1.899 -9.858) 14.927 12.298 ( 0.235 -1.907 -0.202) 1.932 16.153 ( 8.468 -7.359 -5.661) 12.566 17.254 ( 10.415 -6.170 0.925) 12.141 17.395 ( -1.281 -14.922 3.544) 15.390 18.220 ( -0.877 1.520 0.670) 1.878 18.575 ( 2.055 14.379 1.052) 14.563 18.830 ( -4.758 3.249 12.530) 13.791 18.983 ( -6.563 3.205 7.197) 10.254 20.280 ( -0.594 0.886 5.668) 5.767 20.330 ( 0.428 -0.520 5.753) 5.792 23.565 ( 9.756 -15.491 56.471) 59.364 25.058 ( -4.129 11.257 37.441) 39.314 25.755 ( 1.573 -6.475 25.353) 26.214 31.084 ( -1.274 2.721 -1.382) 3.308 31.327 ( 1.865 -3.593 0.222) 4.054 36.156 ( -0.040 -2.873 -0.461) 2.910 37.001 ( -8.415 18.249 -10.793) 22.811 38.027 ( 3.330 -11.097 -16.134) 19.864 38.667 ( -3.744 7.252 -27.368) 28.559 ======================= Grid point 255 (55/80) ======================= q-point: (-0.43 0.57 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 9.973 17.274 -5.134) 20.596 1.839 ( -12.093 -20.945 -2.586) 24.323 2.431 ( 2.590 4.485 -19.857) 20.521 2.451 ( 0.781 1.353 -6.703) 6.883 2.590 ( -0.815 -1.411 -10.744) 10.867 2.763 ( -2.414 -4.181 -10.456) 11.516 2.959 ( 2.802 4.854 -18.686) 19.509 3.040 ( 0.695 1.203 -6.665) 6.808 3.132 ( -1.044 -1.808 -12.646) 12.817 3.531 ( 2.329 4.035 1.666) 4.948 3.675 ( 0.749 1.297 4.272) 4.527 3.695 ( -1.110 -1.923 0.027) 2.221 3.912 ( 1.110 1.922 -2.314) 3.207 3.997 ( -1.348 -2.335 -3.203) 4.187 4.076 ( 0.193 0.335 -1.873) 1.913 4.256 ( 0.954 1.653 -8.565) 8.775 4.285 ( -0.062 -0.107 0.371) 0.391 4.763 ( -10.801 -18.707 -1.691) 21.668 5.426 ( 5.334 9.240 9.356) 14.190 5.536 ( 2.532 4.385 11.196) 12.287 5.933 ( 2.203 3.815 10.159) 11.073 6.091 ( 0.845 1.463 18.072) 18.151 6.233 ( -2.872 -4.974 3.290) 6.619 6.749 ( 3.348 5.799 1.913) 6.963 6.815 ( 3.783 6.552 1.837) 7.786 7.598 ( 3.599 6.233 5.827) 9.261 7.864 ( 0.037 0.064 13.905) 13.905 8.017 ( -0.338 -0.585 22.157) 22.167 8.176 ( -5.090 -8.816 11.781) 15.570 8.607 ( 0.594 1.029 17.359) 17.399 8.698 ( -3.508 -6.076 9.733) 11.998 9.346 ( 0.493 0.854 20.029) 20.053 9.359 ( -1.614 -2.796 12.333) 12.749 10.133 ( 2.498 4.327 29.681) 30.099 10.297 ( -1.765 -3.057 23.652) 23.914 10.320 ( 0.216 0.374 22.511) 22.515 10.379 ( -0.115 -0.199 21.356) 21.357 10.403 ( -1.051 -1.820 23.524) 23.618 11.361 ( 1.429 2.475 3.314) 4.376 11.819 ( 2.218 3.842 -8.796) 9.851 12.042 ( -2.715 -4.703 -10.965) 12.236 12.291 ( -0.440 -0.762 -0.681) 1.112 16.044 ( 0.596 1.032 -5.070) 5.208 17.137 ( -0.286 -0.495 -0.119) 0.584 17.332 ( -6.645 -11.510 3.792) 13.821 18.235 ( 0.376 0.651 0.789) 1.090 18.625 ( 7.536 13.053 0.236) 15.074 18.885 ( 0.743 1.287 15.859) 15.929 19.056 ( -1.949 -3.375 4.846) 6.219 20.292 ( 0.284 0.493 5.671) 5.699 20.321 ( -0.163 -0.282 5.779) 5.788 23.410 ( -3.330 -5.769 58.583) 58.961 25.161 ( 5.301 9.182 35.908) 37.440 25.695 ( -4.163 -7.210 28.150) 29.355 31.114 ( 1.385 2.400 -1.393) 3.101 31.288 ( -1.533 -2.656 0.003) 3.066 36.143 ( -1.593 -2.758 -0.142) 3.188 37.177 ( 7.544 13.067 -10.479) 18.370 37.928 ( -6.226 -10.784 -17.457) 21.444 38.734 ( 2.016 3.491 -29.658) 29.930 ======================= Grid point 257 (56/80) ======================= q-point: (-0.29 0.57 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -1.644 2.848 -2.097) 3.901 1.509 ( 3.498 -6.059 -10.016) 12.217 2.465 ( -0.028 0.048 -3.868) 3.868 2.518 ( -2.310 4.001 -14.898) 15.598 2.538 ( 0.291 -0.503 -14.510) 14.521 2.711 ( 4.082 -7.071 -10.757) 13.505 3.020 ( -1.380 2.391 -20.575) 20.759 3.070 ( 0.590 -1.022 -26.895) 26.921 3.081 ( 0.278 -0.482 5.954) 5.980 3.619 ( -2.010 3.481 5.516) 6.825 3.625 ( 0.275 -0.476 -2.415) 2.476 3.687 ( 1.170 -2.026 3.368) 4.101 3.941 ( -0.765 1.325 1.293) 2.003 3.966 ( 0.081 -0.140 -2.015) 2.022 4.081 ( 0.923 -1.598 -3.234) 3.723 4.245 ( -3.458 5.990 -4.358) 8.175 4.390 ( 3.068 -5.314 1.500) 6.317 4.470 ( 3.904 -6.763 -6.502) 10.161 5.503 ( 0.156 -0.269 22.735) 22.737 5.672 ( -6.471 11.209 -2.676) 13.216 5.932 ( 2.506 -4.341 4.992) 7.075 6.117 ( -0.274 0.474 16.476) 16.485 6.140 ( 0.954 -1.653 8.363) 8.578 6.786 ( -10.433 18.070 3.014) 21.082 6.922 ( -2.418 4.188 1.205) 4.984 7.678 ( -7.493 12.979 5.973) 16.133 7.907 ( 1.300 -2.252 14.985) 15.209 8.000 ( 3.144 -5.445 17.736) 18.818 8.049 ( 8.895 -15.406 13.450) 22.302 8.596 ( 0.197 -0.342 12.584) 12.590 8.641 ( 3.026 -5.241 15.369) 16.517 9.330 ( 2.131 -3.691 12.547) 13.251 9.355 ( -0.457 0.792 20.469) 20.489 10.212 ( -0.851 1.474 28.799) 28.850 10.219 ( -2.014 3.488 26.570) 26.874 10.338 ( 0.507 -0.879 24.059) 24.080 10.358 ( -0.241 0.417 21.147) 21.152 10.405 ( 3.109 -5.385 21.597) 22.475 11.388 ( -0.854 1.480 3.355) 3.765 11.900 ( -0.960 1.663 -9.889) 10.073 11.941 ( -0.493 0.855 -10.612) 10.658 12.294 ( -0.374 0.648 -0.746) 1.057 16.065 ( 1.260 -2.183 -4.970) 5.572 17.161 ( 3.038 -5.262 0.393) 6.089 17.173 ( 2.755 -4.771 1.847) 5.810 18.239 ( -0.287 0.498 1.098) 1.239 18.813 ( -5.212 9.028 5.091) 11.601 18.882 ( -1.410 2.442 10.668) 11.034 18.986 ( 1.535 -2.658 5.535) 6.330 20.298 ( -0.524 0.907 5.707) 5.802 20.317 ( 0.423 -0.732 5.747) 5.809 23.351 ( 3.672 -6.359 59.117) 59.571 25.291 ( -7.130 12.350 34.618) 37.440 25.585 ( 6.105 -10.575 29.898) 32.295 31.149 ( -2.241 3.881 -1.122) 4.620 31.251 ( 2.405 -4.166 -0.366) 4.825 36.112 ( 0.823 -1.425 0.648) 1.769 37.357 ( -10.386 17.989 -13.195) 24.608 37.771 ( 8.652 -14.986 -15.577) 23.282 38.771 ( -1.838 3.183 -30.150) 30.373 ======================= Grid point 275 (57/80) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 0.000 -32.828) 32.828 1.389 ( 0.000 0.000 -32.828) 32.828 2.452 ( 0.000 0.000 -5.095) 5.095 2.464 ( 0.000 0.000 -33.429) 33.429 2.501 ( 0.000 0.000 12.426) 12.426 2.501 ( 0.000 0.000 12.426) 12.426 2.730 ( 0.000 0.000 -1.504) 1.504 2.730 ( 0.000 0.000 -1.504) 1.504 3.154 ( 0.000 0.000 -1.743) 1.743 3.611 ( 0.000 -0.000 5.185) 5.185 3.611 ( 0.000 -0.000 5.185) 5.185 3.905 ( 0.000 0.000 -8.089) 8.089 3.905 ( 0.000 -0.000 -8.089) 8.089 3.953 ( 0.000 0.000 0.180) 0.180 4.004 ( 0.000 -0.000 -1.285) 1.285 4.096 ( 0.000 0.000 -5.454) 5.454 4.096 ( -0.000 -0.000 -5.454) 5.454 4.311 ( 0.000 0.000 11.416) 11.416 5.785 ( 0.000 -0.000 0.895) 0.895 5.785 ( 0.000 0.000 0.895) 0.895 5.983 ( 0.000 0.000 2.715) 2.715 6.026 ( 0.000 0.000 -4.947) 4.947 6.182 ( 0.000 0.000 9.670) 9.670 6.323 ( 0.000 -0.000 9.770) 9.770 6.323 ( -0.000 -0.000 9.770) 9.770 7.452 ( 0.000 0.000 0.771) 0.771 7.452 ( 0.000 0.000 0.771) 0.771 8.671 ( 0.000 0.000 15.053) 15.053 8.671 ( 0.000 0.000 15.053) 15.053 9.347 ( 0.000 -0.000 2.860) 2.860 9.347 ( 0.000 0.000 2.860) 2.860 9.447 ( 0.000 0.000 11.934) 11.934 9.959 ( 0.000 -0.000 13.492) 13.492 10.615 ( 0.000 0.000 23.468) 23.468 10.615 ( 0.000 0.000 23.468) 23.468 10.724 ( -0.000 -0.000 16.693) 16.693 10.724 ( 0.000 -0.000 16.693) 16.693 11.011 ( 0.000 0.000 -2.406) 2.406 11.404 ( 0.000 -0.000 -6.644) 6.644 11.404 ( 0.000 -0.000 -6.644) 6.644 11.608 ( 0.000 0.000 12.507) 12.507 12.446 ( 0.000 0.000 4.229) 4.229 16.676 ( 0.000 0.000 -6.360) 6.360 17.854 ( -0.000 -0.000 -1.593) 1.593 17.854 ( 0.000 -0.000 -1.593) 1.593 18.226 ( 0.000 -0.000 -1.461) 1.461 18.226 ( 0.000 -0.000 -1.461) 1.461 18.637 ( 0.000 0.000 10.058) 10.058 18.637 ( -0.000 0.000 10.058) 10.058 20.342 ( 0.000 0.000 3.925) 3.925 20.439 ( 0.000 -0.000 3.646) 3.646 25.414 ( 0.000 -0.000 30.580) 30.580 25.414 ( 0.000 -0.000 30.580) 30.580 25.841 ( 0.000 0.000 7.771) 7.771 31.007 ( 0.000 0.000 -0.029) 0.029 31.464 ( 0.000 0.000 -0.434) 0.434 36.193 ( -0.000 -0.000 -1.186) 1.186 36.193 ( 0.000 -0.000 -1.186) 1.186 38.077 ( 0.000 0.000 -9.208) 9.208 38.077 ( 0.000 0.000 -9.208) 9.208 ======================= Grid point 276 (58/80) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -1.927 -1.936 -31.625) 31.743 1.424 ( 0.352 1.613 -33.154) 33.195 2.322 ( -6.759 -5.647 -11.950) 14.844 2.432 ( -0.327 -1.382 0.439) 1.487 2.518 ( -3.395 3.558 3.565) 6.073 2.622 ( 5.206 1.902 -8.632) 10.258 2.771 ( 2.989 0.550 -1.237) 3.282 2.805 ( 4.899 1.765 -2.204) 5.655 3.113 ( -2.938 -0.649 -1.580) 3.399 3.508 ( -2.071 -7.589 2.780) 8.343 3.635 ( -2.643 4.322 5.183) 7.248 3.819 ( -3.006 -2.315 -6.257) 7.317 3.870 ( -0.588 -1.181 -1.622) 2.091 3.941 ( -1.096 -2.522 -2.802) 3.926 4.050 ( -0.344 0.830 -4.687) 4.772 4.089 ( 0.647 -0.219 -3.307) 3.376 4.212 ( 7.142 7.598 -4.621) 11.406 4.430 ( 10.371 5.742 9.219) 15.018 5.688 ( -7.368 -3.008 -2.293) 8.282 5.811 ( 2.844 -0.865 1.734) 3.441 5.919 ( -3.748 -2.313 2.540) 5.084 6.107 ( -4.113 -1.082 11.385) 12.153 6.188 ( 10.640 6.568 1.936) 12.653 6.352 ( 4.362 0.321 6.851) 8.128 6.377 ( 3.150 1.642 6.824) 7.693 7.453 ( -1.795 7.339 1.824) 7.772 7.629 ( 15.566 2.339 -0.476) 15.748 8.591 ( -2.983 -3.334 16.701) 17.290 8.738 ( 1.756 1.940 12.896) 13.158 9.197 ( -12.106 -3.699 5.610) 13.846 9.292 ( -4.424 -6.418 4.213) 8.861 9.511 ( 3.322 3.019 10.543) 11.459 9.903 ( -4.642 -3.641 12.075) 13.439 10.580 ( -2.429 -1.135 21.513) 21.679 10.604 ( 0.314 -1.396 20.610) 20.660 10.748 ( 1.631 1.342 18.986) 19.104 10.757 ( 1.656 1.474 18.528) 18.660 10.981 ( -2.925 -1.074 0.409) 3.142 11.409 ( -0.144 1.290 -4.256) 4.449 11.461 ( 5.419 2.471 -6.938) 9.144 11.629 ( 2.524 0.931 9.127) 9.516 12.425 ( -2.159 -0.380 3.684) 4.287 16.516 ( -13.131 -7.390 -5.849) 16.163 17.709 ( -13.496 -8.472 -0.953) 15.963 17.793 ( -5.000 -3.162 -0.708) 5.958 18.205 ( -0.215 -1.713 0.026) 1.727 18.236 ( 3.312 3.706 -0.931) 5.057 18.744 ( 9.540 3.774 7.570) 12.750 18.812 ( 10.827 7.886 8.682) 15.963 20.347 ( 0.451 0.240 3.902) 3.936 20.436 ( -0.257 -0.161 3.639) 3.652 25.101 ( -21.027 -11.479 28.671) 37.362 25.463 ( 4.565 2.023 30.062) 30.474 26.035 ( 10.364 6.135 12.803) 17.578 31.014 ( 0.657 0.397 -0.093) 0.773 31.443 ( -1.872 -1.066 0.051) 2.154 36.186 ( -0.528 -0.361 -1.006) 1.192 36.315 ( 10.653 6.186 -2.661) 12.603 38.031 ( -4.187 -2.484 -9.494) 10.670 38.110 ( 2.791 1.684 -10.767) 11.250 ======================= Grid point 277 (59/80) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -8.893 -5.800 -19.756) 22.428 1.469 ( 3.160 3.510 -34.395) 34.717 2.153 ( -6.828 -4.733 -13.130) 15.538 2.374 ( -3.802 -6.653 -11.196) 13.567 2.449 ( -5.610 3.041 5.384) 8.349 2.662 ( -1.507 -0.972 -15.535) 15.638 2.811 ( 1.670 1.030 -0.319) 1.988 2.875 ( 2.569 -0.099 0.522) 2.623 3.062 ( -1.965 -0.859 -1.385) 2.553 3.495 ( 5.197 -2.169 3.644) 6.707 3.619 ( -1.787 1.119 2.172) 3.027 3.753 ( -1.528 -2.940 -3.458) 4.789 3.858 ( -1.643 -0.438 -2.516) 3.036 3.936 ( 3.104 -0.537 0.403) 3.175 4.043 ( -1.900 2.026 -5.550) 6.207 4.096 ( 0.164 0.277 -1.544) 1.577 4.359 ( 2.362 4.580 -2.202) 5.604 4.705 ( 12.812 8.103 4.530) 15.822 5.519 ( -8.855 -4.144 -2.717) 10.147 5.839 ( 1.165 -2.271 7.510) 7.932 5.914 ( 3.328 0.599 3.625) 4.957 6.118 ( 6.239 6.530 6.873) 11.349 6.351 ( 5.766 1.766 9.242) 11.036 6.399 ( 2.013 -0.189 5.134) 5.518 6.566 ( 12.085 7.447 -0.895) 14.224 7.513 ( 1.248 6.397 2.007) 6.820 7.908 ( 12.617 3.907 -0.166) 13.209 8.501 ( -4.584 -4.206 14.896) 16.143 8.715 ( -7.378 -4.917 6.629) 11.071 8.948 ( -9.493 -1.948 13.191) 16.368 9.128 ( -6.685 -6.646 7.869) 12.280 9.589 ( 3.123 2.054 12.082) 12.647 9.757 ( -7.243 -5.654 9.102) 12.934 10.542 ( -0.635 -1.257 19.310) 19.361 10.612 ( 2.223 -1.466 17.204) 17.409 10.771 ( -0.316 0.844 19.917) 19.937 10.791 ( 0.764 1.447 19.447) 19.515 10.912 ( -4.112 -0.451 7.997) 9.003 11.414 ( 0.065 -0.290 1.869) 1.892 11.586 ( 4.763 3.520 -4.518) 7.449 11.733 ( 7.659 4.084 -1.709) 8.846 12.383 ( -3.165 1.228 2.508) 4.221 16.205 ( -14.253 -7.974 -4.943) 17.064 17.377 ( -14.287 -9.188 -0.935) 17.013 17.659 ( -6.031 -4.657 1.193) 7.713 18.203 ( 1.080 -0.540 0.319) 1.249 18.350 ( 4.669 3.440 -1.285) 5.940 18.956 ( 10.197 4.590 6.051) 12.714 19.034 ( 7.784 5.862 7.819) 12.494 20.360 ( 0.777 0.379 3.844) 3.940 20.428 ( -0.450 -0.305 3.641) 3.681 24.678 ( -17.338 -9.201 31.940) 37.489 25.579 ( 6.072 3.163 28.726) 29.530 26.189 ( 3.801 2.375 16.258) 16.864 31.038 ( 1.475 0.907 -0.197) 1.743 31.391 ( -2.798 -1.563 0.779) 3.298 36.173 ( -0.569 -0.389 -0.664) 0.957 36.602 ( 14.611 8.430 -4.860) 17.554 37.905 ( -7.100 -4.186 -10.467) 13.322 38.182 ( 3.326 2.023 -14.188) 14.712 ======================= Grid point 278 (60/80) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -9.532 -5.482 -4.160) 11.757 1.565 ( 2.924 3.188 -37.395) 37.645 2.052 ( -1.907 -2.203 -23.924) 24.100 2.260 ( -1.991 -4.541 -9.054) 10.323 2.432 ( 1.132 3.547 -1.545) 4.031 2.558 ( -7.521 -3.005 -10.100) 12.947 2.831 ( 0.142 0.384 -0.189) 0.451 2.896 ( 0.586 0.431 -3.363) 3.440 3.061 ( 1.610 -1.123 0.129) 1.967 3.535 ( 0.370 -1.112 4.071) 4.236 3.647 ( 4.495 0.635 -0.158) 4.542 3.712 ( -0.882 -2.957 -0.802) 3.188 3.841 ( -0.423 0.206 -1.890) 1.948 3.968 ( 1.044 0.291 -1.907) 2.193 4.013 ( -2.737 0.073 -5.540) 6.179 4.132 ( 2.216 1.933 0.821) 3.053 4.367 ( -2.913 1.185 1.301) 3.403 4.938 ( 7.027 5.861 0.480) 9.163 5.347 ( -6.827 -3.122 -1.980) 7.764 5.821 ( 0.370 -2.159 12.253) 12.447 5.938 ( 1.047 -2.149 2.172) 3.230 6.319 ( 4.109 2.949 9.191) 10.491 6.401 ( -1.456 2.901 4.821) 5.812 6.589 ( 16.167 7.087 0.873) 17.674 6.760 ( 3.492 2.297 -0.227) 4.186 7.601 ( 2.889 3.467 2.315) 5.072 8.014 ( -2.360 -1.999 2.017) 3.692 8.372 ( -3.705 -2.725 4.982) 6.781 8.467 ( -8.501 -4.221 10.298) 14.004 8.922 ( 1.419 0.785 12.958) 13.059 9.004 ( -2.116 -3.218 15.669) 16.136 9.596 ( -3.797 -2.908 7.855) 9.196 9.652 ( 0.953 0.175 12.754) 12.791 10.532 ( 1.002 -2.149 17.586) 17.745 10.636 ( 2.199 -2.012 13.786) 14.104 10.765 ( -0.949 0.881 20.680) 20.721 10.812 ( 0.157 2.132 19.162) 19.280 10.853 ( -3.152 0.653 15.183) 15.521 11.408 ( 0.811 -2.044 5.368) 5.801 11.665 ( 1.174 2.784 -4.445) 5.375 11.883 ( 4.407 2.665 -6.948) 8.649 12.357 ( -2.709 3.540 1.600) 4.736 15.973 ( -6.209 -3.529 -4.226) 8.298 17.145 ( -5.374 -4.256 -1.264) 6.971 17.550 ( -2.198 -2.923 2.183) 4.259 18.216 ( 1.046 -0.881 0.072) 1.369 18.425 ( 1.588 1.415 -1.650) 2.692 19.111 ( 4.071 2.137 8.702) 9.842 19.157 ( 2.780 1.999 4.669) 5.790 20.376 ( 0.568 0.221 3.768) 3.817 20.418 ( -0.341 -0.275 3.679) 3.705 24.419 ( -6.784 -2.960 34.515) 35.299 25.685 ( 3.067 1.672 27.298) 27.521 26.225 ( 0.175 0.251 19.021) 19.024 31.069 ( 1.046 0.690 -0.236) 1.275 31.339 ( -1.615 -0.848 1.053) 2.106 36.164 ( -0.209 -0.182 -0.443) 0.523 36.868 ( 8.038 4.603 -5.084) 10.566 37.760 ( -4.836 -2.898 -12.114) 13.361 38.237 ( 1.397 0.933 -16.855) 16.939 ======================= Grid point 283 (61/80) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -1.011 -1.750 -28.594) 28.665 1.451 ( 0.492 0.852 -29.693) 29.709 2.217 ( -3.497 -6.058 -11.205) 13.209 2.309 ( -5.662 -9.808 2.010) 11.502 2.530 ( -1.487 -2.576 -3.677) 4.730 2.643 ( -0.355 -0.615 -17.345) 17.360 2.825 ( 1.729 2.995 2.069) 4.030 2.837 ( 0.761 1.317 -2.863) 3.242 3.082 ( -1.741 -3.016 -1.130) 3.661 3.444 ( 1.260 2.183 4.695) 5.329 3.647 ( -1.247 -2.160 0.951) 2.669 3.780 ( -1.902 -3.294 -1.435) 4.066 3.863 ( 1.281 2.219 0.293) 2.579 3.900 ( -0.347 -0.601 -1.348) 1.516 4.077 ( 1.277 2.212 -6.592) 7.070 4.099 ( -0.090 -0.156 -2.113) 2.121 4.382 ( 5.758 9.974 -6.247) 13.101 4.572 ( 3.883 6.726 7.896) 11.075 5.597 ( -3.600 -6.235 -3.717) 8.102 5.807 ( 0.202 0.349 6.607) 6.619 5.901 ( 1.561 2.703 3.724) 4.859 6.106 ( 1.741 3.015 7.669) 8.422 6.279 ( 1.531 2.651 10.504) 10.941 6.405 ( 1.144 1.981 6.029) 6.449 6.500 ( 8.100 14.030 -0.869) 16.224 7.585 ( 2.314 4.007 -1.539) 4.877 7.768 ( 7.221 12.506 2.365) 14.634 8.516 ( -2.500 -4.330 15.937) 16.703 8.737 ( -2.225 -3.854 9.713) 10.684 9.070 ( -5.422 -9.391 9.883) 14.672 9.114 ( -6.143 -10.640 6.811) 14.048 9.577 ( 2.044 3.541 11.210) 11.932 9.783 ( -4.907 -8.499 10.484) 14.360 10.558 ( -0.679 -1.176 18.468) 18.518 10.572 ( -0.700 -1.212 19.044) 19.095 10.780 ( 0.904 1.566 20.475) 20.555 10.789 ( 0.851 1.474 18.875) 18.951 10.946 ( -1.365 -2.365 5.631) 6.258 11.416 ( -0.512 -0.887 1.237) 1.606 11.575 ( 5.131 8.887 -7.916) 12.960 11.672 ( 2.332 4.039 2.912) 5.498 12.418 ( -0.029 -0.050 2.331) 2.331 16.297 ( -8.123 -14.070 -5.293) 17.087 17.522 ( -8.110 -14.046 -0.297) 16.222 17.570 ( -8.000 -13.857 0.143) 16.001 18.174 ( 0.278 0.482 0.296) 0.630 18.426 ( 6.499 11.257 -0.863) 13.027 18.831 ( 3.934 6.814 6.927) 10.483 19.014 ( 5.979 10.356 7.710) 14.228 20.356 ( 0.392 0.678 3.874) 3.953 20.431 ( -0.270 -0.467 3.650) 3.689 24.782 ( -11.149 -19.310 30.763) 37.994 25.553 ( 4.136 7.164 29.217) 30.365 26.158 ( 2.833 4.907 15.317) 16.332 31.032 ( 0.929 1.608 -0.173) 1.865 31.405 ( -1.699 -2.942 0.598) 3.450 36.170 ( -0.679 -1.176 -0.564) 1.470 36.528 ( 8.952 15.506 -4.668) 18.503 37.935 ( -4.409 -7.637 -9.837) 13.212 38.169 ( 2.374 4.111 -13.456) 14.269 ======================= Grid point 284 (62/80) ======================= q-point: ( 0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -13.573 4.567 -13.552) 19.716 1.490 ( 6.972 -2.783 -28.867) 29.827 2.103 ( -4.350 -0.744 -17.658) 18.201 2.182 ( 1.110 -9.600 -5.461) 11.100 2.444 ( -4.264 -3.781 -5.067) 7.626 2.577 ( -2.059 -7.837 -20.148) 21.716 2.824 ( -0.900 -0.307 -0.757) 1.215 2.864 ( 1.239 -1.702 -2.244) 3.077 3.056 ( 0.428 0.913 2.144) 2.369 3.523 ( 2.305 3.615 4.964) 6.559 3.611 ( 0.297 -1.461 -0.433) 1.552 3.709 ( -2.005 -3.095 -1.055) 3.835 3.882 ( -1.835 3.775 -0.039) 4.198 3.945 ( 2.990 1.142 0.082) 3.202 4.068 ( -2.536 -0.915 -1.871) 3.282 4.138 ( 1.606 5.377 -3.640) 6.689 4.462 ( -6.785 5.454 -0.871) 8.749 4.714 ( 15.037 -6.689 0.512) 16.466 5.485 ( -7.083 2.262 -3.133) 8.069 5.792 ( 0.134 -2.296 12.116) 12.333 5.953 ( -0.759 1.151 3.237) 3.518 6.283 ( 4.950 6.466 7.671) 11.188 6.348 ( 7.174 -1.181 6.003) 9.429 6.498 ( 7.788 14.866 3.581) 17.160 6.758 ( 6.023 11.964 -0.550) 13.405 7.639 ( -0.653 6.249 -0.284) 6.290 7.975 ( 6.820 2.991 2.080) 7.732 8.407 ( -5.950 -6.650 9.290) 12.881 8.544 ( -9.818 -12.054 5.909) 16.632 8.916 ( -3.289 -3.397 14.640) 15.384 8.978 ( -0.586 -6.844 15.085) 16.575 9.615 ( -4.027 -5.331 9.477) 11.595 9.641 ( 0.899 -0.011 12.094) 12.127 10.530 ( -1.665 0.123 17.291) 17.372 10.576 ( 2.373 -2.169 15.671) 15.998 10.794 ( -0.963 1.563 19.894) 19.978 10.816 ( 1.341 1.196 19.249) 19.333 10.901 ( -2.277 -0.760 12.980) 13.200 11.386 ( -0.696 -2.442 5.856) 6.383 11.706 ( 0.098 8.086 -5.467) 9.761 11.801 ( 7.999 2.942 -6.129) 10.498 12.428 ( -0.880 3.480 0.697) 3.657 16.057 ( -8.124 -6.653 -4.517) 11.431 17.218 ( -11.282 -7.699 -0.519) 13.668 17.399 ( 2.945 -18.251 1.084) 18.519 18.190 ( 1.036 -0.269 0.606) 1.230 18.579 ( -3.602 16.046 -0.617) 16.457 18.996 ( 10.136 1.753 6.340) 12.083 19.147 ( 1.982 3.591 7.197) 8.284 20.371 ( 0.567 0.735 3.829) 3.940 20.420 ( -0.389 -0.616 3.689) 3.760 24.472 ( -7.935 -11.235 33.655) 36.357 25.698 ( 3.192 9.100 27.434) 29.080 26.195 ( 0.863 -2.387 18.462) 18.635 31.072 ( 1.204 2.975 -0.181) 3.215 31.342 ( -1.837 -3.699 0.898) 4.226 36.150 ( 0.013 -1.773 -0.036) 1.773 36.836 ( 9.089 15.880 -6.194) 19.317 37.764 ( -5.170 -10.833 -10.523) 15.963 38.241 ( 1.487 3.772 -16.752) 17.235 ======================= Grid point 285 (63/80) ======================= q-point: ( 0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -7.758 13.437 -5.169) 16.354 1.562 ( 3.141 -5.440 -31.901) 32.514 2.059 ( -1.826 3.162 -22.887) 23.177 2.149 ( 3.011 -5.215 -5.299) 8.021 2.407 ( 3.175 -5.500 -3.677) 7.339 2.481 ( 1.942 -3.364 -19.216) 19.605 2.826 ( 0.468 -0.810 -1.827) 2.053 2.857 ( 1.761 -3.050 -4.355) 5.600 3.070 ( -0.365 0.633 2.834) 2.926 3.541 ( -0.853 1.478 2.709) 3.202 3.650 ( 0.650 -1.126 1.911) 2.311 3.658 ( 1.319 -2.284 -0.318) 2.656 3.885 ( -2.223 3.850 -0.562) 4.481 3.984 ( 0.177 -0.306 -1.319) 1.366 4.027 ( -0.946 1.639 -2.205) 2.906 4.196 ( -2.995 5.187 -1.261) 6.121 4.397 ( -1.247 2.159 1.166) 2.752 4.824 ( 8.518 -14.753 -1.662) 17.116 5.434 ( -6.917 11.981 -2.393) 14.039 5.785 ( 0.978 -1.694 13.644) 13.783 5.939 ( 0.232 -0.402 1.520) 1.589 6.328 ( 0.328 -0.567 10.017) 10.038 6.387 ( 2.299 -3.982 4.649) 6.539 6.783 ( -5.461 9.458 -0.515) 10.934 6.841 ( -3.937 6.819 0.074) 7.874 7.674 ( -2.449 4.242 0.821) 4.967 8.009 ( -1.534 2.656 3.108) 4.366 8.279 ( 3.797 -6.577 2.322) 7.942 8.399 ( 2.497 -4.325 9.273) 10.532 8.881 ( 1.970 -3.412 13.908) 14.456 8.950 ( 1.663 -2.880 19.820) 20.097 9.534 ( 1.708 -2.959 7.865) 8.575 9.663 ( -0.450 0.780 13.874) 13.903 10.516 ( -0.277 0.479 16.821) 16.830 10.588 ( 1.598 -2.768 13.878) 14.242 10.791 ( -1.134 1.964 20.441) 20.567 10.852 ( -0.566 0.980 18.745) 18.779 10.861 ( -0.365 0.632 16.421) 16.437 11.366 ( 1.242 -2.152 6.712) 7.157 11.745 ( -2.921 5.059 -5.695) 8.158 11.890 ( 0.864 -1.496 -7.795) 7.984 12.441 ( -2.603 4.508 -0.058) 5.206 15.954 ( -0.735 1.272 -4.088) 4.344 17.085 ( 1.045 -1.810 -0.759) 2.224 17.334 ( 8.841 -15.312 1.455) 17.741 18.197 ( 0.585 -1.013 0.744) 1.386 18.622 ( -8.814 15.266 -0.609) 17.638 19.130 ( 0.293 -0.508 9.310) 9.328 19.144 ( 1.724 -2.987 3.938) 5.235 20.381 ( -0.219 0.380 3.786) 3.812 20.411 ( 0.240 -0.416 3.734) 3.765 24.352 ( 2.063 -3.573 34.815) 35.059 25.777 ( -4.335 7.508 26.215) 27.611 26.180 ( 2.800 -4.850 20.277) 21.036 31.103 ( -1.627 2.819 -0.135) 3.258 31.302 ( 1.694 -2.935 0.894) 3.505 36.141 ( 0.979 -1.696 0.174) 1.966 37.015 ( -5.865 10.158 -6.108) 13.224 37.643 ( 5.088 -8.813 -11.380) 15.266 38.273 ( -1.308 2.266 -18.171) 18.359 ======================= Grid point 292 (64/80) ======================= q-point: ( 0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -1.773 -3.071 -14.018) 14.459 1.364 ( 1.799 3.115 -16.115) 16.512 2.102 ( 1.138 1.970 -13.851) 14.037 2.133 ( 0.618 1.071 -20.321) 20.358 2.321 ( -4.292 -7.434 -1.618) 8.735 2.448 ( -2.514 -4.355 -23.991) 24.512 2.810 ( -0.102 -0.177 -4.330) 4.335 2.830 ( -0.940 -1.628 -4.726) 5.086 3.070 ( 0.073 0.127 5.622) 5.624 3.582 ( -0.303 -0.524 -1.660) 1.767 3.596 ( 1.696 2.938 4.719) 5.812 3.652 ( -1.521 -2.634 1.648) 3.459 3.940 ( 0.832 1.440 -1.100) 1.994 3.964 ( 0.361 0.626 -0.697) 1.004 4.044 ( -0.463 -0.802 1.235) 1.544 4.267 ( 4.520 7.829 -1.188) 9.118 4.461 ( -4.334 -7.506 3.652) 9.405 4.600 ( -0.767 -1.329 -6.364) 6.546 5.627 ( 6.093 10.553 -2.972) 12.543 5.760 ( -0.415 -0.718 13.745) 13.770 5.893 ( -4.175 -7.232 -0.260) 8.354 6.323 ( 0.109 0.189 9.739) 9.742 6.331 ( -0.186 -0.322 7.564) 7.573 6.856 ( 9.238 16.000 -0.313) 18.478 6.944 ( 3.257 5.641 -0.568) 6.538 7.733 ( 2.019 3.498 -1.037) 4.170 8.044 ( 3.345 5.794 3.635) 7.614 8.253 ( -5.158 -8.935 3.919) 11.036 8.288 ( -7.340 -12.713 4.445) 15.338 8.856 ( -0.106 -0.184 18.568) 18.569 8.908 ( -1.585 -2.745 19.696) 19.949 9.505 ( -2.093 -3.626 8.292) 9.289 9.672 ( 0.649 1.125 14.271) 14.330 10.536 ( -0.143 -0.248 15.880) 15.883 10.547 ( -0.154 -0.267 14.873) 14.876 10.829 ( 0.868 1.503 19.067) 19.145 10.835 ( 0.835 1.446 19.580) 19.651 10.877 ( -1.146 -1.985 17.030) 17.183 11.343 ( -0.888 -1.538 6.857) 7.083 11.823 ( 1.523 2.637 -6.573) 7.244 11.847 ( 1.433 2.482 -7.967) 8.467 12.489 ( 1.271 2.201 -0.548) 2.600 15.978 ( -1.100 -1.905 -4.068) 4.624 17.099 ( -3.160 -5.474 -0.151) 6.323 17.134 ( -3.872 -6.707 0.603) 7.768 18.186 ( -0.086 -0.150 1.135) 1.148 18.827 ( 4.711 8.159 -1.162) 9.493 19.047 ( 2.476 4.289 6.903) 8.496 19.144 ( -2.146 -3.716 7.359) 8.519 20.386 ( 0.491 0.851 3.809) 3.933 20.406 ( -0.453 -0.784 3.753) 3.860 24.314 ( -2.732 -4.733 35.012) 35.436 25.885 ( 5.564 9.638 25.044) 27.405 26.101 ( -3.990 -6.910 21.439) 22.876 31.145 ( 2.514 4.355 0.079) 5.029 31.260 ( -2.679 -4.641 0.631) 5.396 36.122 ( -0.516 -0.893 0.673) 1.232 37.151 ( 9.343 16.182 -7.870) 20.275 37.521 ( -8.077 -13.990 -9.721) 18.853 38.297 ( 1.004 1.739 -18.945) 19.052 ======================= Grid point 296 (65/80) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.122 -0.211 -29.762) 29.763 1.398 ( 0.947 -1.641 -28.529) 28.591 2.253 ( 2.996 -5.189 -11.187) 12.691 2.311 ( 5.755 -9.967 3.316) 11.977 2.476 ( 0.592 -1.026 -5.047) 5.184 2.629 ( 1.552 -2.688 -15.744) 16.047 2.839 ( 0.123 -0.213 -2.640) 2.651 2.872 ( -2.308 3.998 1.080) 4.742 3.062 ( 0.847 -1.468 -2.198) 2.776 3.574 ( -0.951 1.648 0.406) 1.946 3.575 ( -1.601 2.773 6.475) 7.224 3.796 ( 2.923 -5.063 -1.414) 6.014 3.871 ( -2.451 4.245 -4.320) 6.533 3.938 ( 0.353 -0.612 -0.819) 1.081 4.032 ( 0.165 -0.286 -4.196) 4.209 4.100 ( -0.008 0.014 -2.513) 2.513 4.302 ( -3.871 6.705 -4.218) 8.816 4.574 ( -3.900 6.755 7.531) 10.842 5.580 ( 3.734 -6.467 -3.057) 8.069 5.838 ( -1.136 1.967 6.028) 6.442 5.937 ( -2.592 4.489 0.590) 5.217 6.066 ( -0.050 0.087 10.088) 10.089 6.318 ( -2.782 4.818 9.390) 10.914 6.412 ( -1.757 3.044 5.960) 6.919 6.497 ( -6.903 11.956 -0.903) 13.835 7.445 ( -2.236 3.873 3.374) 5.602 7.863 ( -6.692 11.590 -1.403) 13.457 8.551 ( 2.224 -3.851 16.172) 16.773 8.739 ( 1.136 -1.968 9.510) 9.778 8.982 ( 7.365 -12.757 9.033) 17.279 9.191 ( 5.021 -8.696 6.822) 12.140 9.568 ( -2.372 4.109 11.756) 12.677 9.812 ( 4.434 -7.680 9.462) 12.969 10.559 ( 0.098 -0.170 19.997) 19.998 10.625 ( -0.740 1.281 18.753) 18.812 10.767 ( -0.089 0.154 19.679) 19.680 10.771 ( -0.671 1.162 19.480) 19.526 10.917 ( 2.456 -4.254 5.520) 7.389 11.409 ( -0.510 0.883 -0.350) 1.078 11.568 ( -4.275 7.405 -7.331) 11.263 11.682 ( -2.169 3.758 3.758) 5.740 12.374 ( 1.874 -3.247 3.320) 5.008 16.292 ( 8.203 -14.207 -5.131) 17.189 17.548 ( 7.762 -13.444 -1.066) 15.561 17.577 ( 7.375 -12.774 0.320) 14.754 18.189 ( -0.766 1.326 -0.187) 1.543 18.417 ( -6.536 11.320 -0.796) 13.096 18.846 ( -3.842 6.655 6.225) 9.889 18.999 ( -5.998 10.390 8.231) 14.549 20.357 ( -0.434 0.751 3.854) 3.950 20.431 ( 0.241 -0.418 3.624) 3.656 24.768 ( 11.446 -19.826 31.340) 38.811 25.561 ( -4.107 7.113 28.919) 30.063 26.155 ( -2.771 4.800 15.415) 16.381 31.031 ( -0.895 1.550 -0.150) 1.797 31.404 ( 1.731 -2.998 0.616) 3.516 36.172 ( 0.661 -1.145 -0.613) 1.458 36.527 ( -8.974 15.544 -4.656) 18.542 37.936 ( 4.381 -7.589 -9.869) 13.198 38.167 ( -2.336 4.047 -13.410) 14.201 ======================= Grid point 304 (66/80) ======================= q-point: (-0.29 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 15.091 3.120 -13.950) 20.787 1.455 ( -8.761 -3.605 -27.907) 29.471 2.117 ( 4.977 0.177 -15.501) 16.282 2.231 ( -3.452 -9.590 -5.916) 11.785 2.409 ( 6.274 -0.368 -9.060) 11.026 2.549 ( 0.235 -9.820 -17.378) 19.962 2.814 ( 0.957 -1.020 -0.984) 1.710 2.869 ( 0.271 -3.866 -2.439) 4.580 3.098 ( -1.176 4.917 0.473) 5.077 3.587 ( 2.707 1.319 1.431) 3.334 3.643 ( -2.056 4.744 2.131) 5.593 3.732 ( -0.376 -1.805 -0.451) 1.898 3.889 ( 3.356 3.464 -1.598) 5.080 3.960 ( -1.625 -1.660 0.521) 2.381 4.049 ( 2.347 4.506 -4.790) 6.983 4.105 ( -2.553 1.512 -0.074) 2.968 4.378 ( 2.662 1.917 -0.946) 3.414 4.680 ( -13.033 -9.601 3.314) 16.524 5.468 ( 6.705 2.089 -2.414) 7.426 5.850 ( 0.835 -0.549 10.936) 10.981 6.006 ( 1.234 2.101 0.020) 2.437 6.215 ( -9.801 8.497 6.541) 14.527 6.362 ( -0.953 -0.493 8.543) 8.610 6.524 ( -8.060 11.226 3.551) 14.268 6.748 ( -6.536 11.870 -0.635) 13.566 7.559 ( -4.726 6.484 2.725) 8.474 8.021 ( -3.106 3.049 0.590) 4.392 8.423 ( 7.257 -7.339 10.436) 14.677 8.537 ( 11.020 -14.403 4.867) 18.777 8.880 ( -2.135 -0.763 15.191) 15.359 9.045 ( 3.821 -4.809 12.879) 14.269 9.632 ( 2.114 -0.912 10.734) 10.978 9.653 ( 1.754 -3.572 9.753) 10.533 10.576 ( 0.167 3.461 17.760) 18.095 10.652 ( -0.947 1.262 15.842) 15.921 10.759 ( 0.562 -0.424 20.544) 20.556 10.784 ( -0.700 -0.753 19.564) 19.591 10.845 ( 1.735 -3.216 12.966) 13.471 11.433 ( -0.432 1.783 3.245) 3.728 11.669 ( 0.625 5.832 -4.759) 7.554 11.789 ( -7.899 0.543 -4.618) 9.166 12.325 ( 0.765 -1.903 3.042) 3.669 16.053 ( 7.850 -6.646 -4.376) 11.178 17.246 ( 11.741 -6.243 -1.191) 13.351 17.430 ( -3.043 -16.942 0.483) 17.220 18.221 ( -0.945 1.444 -0.333) 1.758 18.572 ( 3.509 16.124 -0.689) 16.516 19.004 ( -9.690 1.420 5.864) 11.415 19.136 ( -2.340 3.741 7.421) 8.634 20.373 ( -0.558 0.860 3.776) 3.913 20.421 ( 0.388 -0.515 3.631) 3.687 24.451 ( 7.714 -12.200 34.505) 37.403 25.701 ( -2.933 8.988 27.291) 28.882 26.191 ( -0.975 -2.527 18.607) 18.803 31.071 ( -1.212 2.872 -0.131) 3.120 31.340 ( 1.834 -3.802 0.943) 4.326 36.151 ( 0.008 -1.720 -0.100) 1.723 36.837 ( -9.099 15.950 -6.208) 19.384 37.766 ( 5.184 -10.757 -10.577) 15.952 38.239 ( -1.505 3.669 -16.672) 17.137 ======================= Grid point 310 (67/80) ======================= q-point: (-0.43 0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 6.721 11.641 -6.498) 14.930 1.526 ( -3.624 -6.278 -28.865) 29.761 2.108 ( 3.010 5.214 -24.238) 24.975 2.182 ( -3.271 -5.665 -4.427) 7.899 2.389 ( -3.218 -5.574 -19.906) 20.920 2.452 ( -1.285 -2.226 -3.171) 4.082 2.811 ( -1.162 -2.012 -2.027) 3.083 2.842 ( -2.379 -4.121 -5.272) 7.101 3.134 ( 2.408 4.171 1.617) 5.081 3.557 ( 0.620 1.073 0.578) 1.367 3.704 ( 0.148 0.256 1.419) 1.450 3.728 ( 1.243 2.154 0.446) 2.527 3.877 ( 2.069 3.583 -1.538) 4.414 3.951 ( -0.624 -1.081 -0.494) 1.343 4.039 ( 1.622 2.809 -3.773) 4.976 4.174 ( 2.163 3.746 0.496) 4.354 4.319 ( -0.825 -1.429 2.253) 2.793 4.763 ( -10.679 -18.497 1.225) 21.393 5.421 ( 6.867 11.894 -1.826) 13.855 5.837 ( 0.253 0.439 11.920) 11.931 5.994 ( -0.152 -0.263 -1.027) 1.071 6.338 ( -1.206 -2.089 5.864) 6.341 6.348 ( 0.078 0.134 9.029) 9.030 6.773 ( 4.031 6.982 0.659) 8.089 6.832 ( 3.699 6.407 0.204) 7.401 7.659 ( 2.522 4.369 1.504) 5.264 8.010 ( 1.484 2.570 3.612) 4.674 8.291 ( -4.114 -7.125 1.997) 8.467 8.363 ( -3.408 -5.903 11.246) 13.150 8.915 ( -0.817 -1.416 12.063) 12.173 8.987 ( -0.671 -1.162 18.062) 18.112 9.547 ( -1.482 -2.567 7.203) 7.790 9.675 ( 0.805 1.395 13.424) 13.520 10.595 ( 2.333 4.041 16.451) 17.100 10.668 ( 0.206 0.356 13.328) 13.334 10.751 ( -0.103 -0.179 21.060) 21.061 10.788 ( -0.697 -1.208 20.140) 20.188 10.810 ( -0.833 -1.442 16.828) 16.910 11.446 ( 1.243 2.154 4.688) 5.307 11.686 ( 1.446 2.505 -4.866) 5.661 11.866 ( -2.490 -4.313 -6.925) 8.530 12.313 ( -0.170 -0.294 2.967) 2.987 15.953 ( 0.705 1.221 -4.022) 4.262 17.116 ( -0.197 -0.341 -1.566) 1.615 17.372 ( -8.067 -13.972 0.702) 16.149 18.236 ( 0.418 0.723 -0.391) 0.922 18.616 ( 8.860 15.347 -0.749) 17.736 19.126 ( -0.368 -0.638 9.165) 9.195 19.143 ( -1.752 -3.034 3.814) 5.179 20.384 ( 0.287 0.497 3.716) 3.760 20.414 ( -0.179 -0.310 3.662) 3.680 24.327 ( -2.644 -4.580 35.772) 36.161 25.778 ( 4.288 7.426 26.196) 27.564 26.177 ( -2.874 -4.978 20.405) 21.200 31.101 ( 1.568 2.715 -0.074) 3.136 31.300 ( -1.754 -3.038 0.954) 3.635 36.143 ( -0.946 -1.639 0.107) 1.896 37.016 ( 5.905 10.228 -6.132) 13.307 37.645 ( -5.048 -8.744 -11.446) 15.263 38.270 ( 1.250 2.165 -18.079) 18.251 ======================= Grid point 312 (68/80) ======================= q-point: (-0.29 0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.441 -0.764 -13.888) 13.916 1.354 ( 0.785 -1.359 -13.201) 13.294 2.141 ( -1.206 2.089 -17.468) 17.634 2.164 ( -0.907 1.570 -17.333) 17.427 2.346 ( 4.550 -7.881 -22.866) 24.610 2.416 ( 0.789 -1.366 -3.226) 3.591 2.791 ( 0.717 -1.242 -4.576) 4.796 2.795 ( 1.277 -2.212 -5.269) 5.856 3.176 ( -1.401 2.426 3.138) 4.207 3.564 ( 1.089 -1.886 -2.486) 3.305 3.713 ( -1.482 2.566 3.657) 4.707 3.740 ( -0.487 0.843 0.901) 1.326 3.928 ( -0.280 0.485 -2.017) 2.093 3.939 ( -0.194 0.337 -0.240) 0.457 4.065 ( 0.585 -1.014 0.490) 1.269 4.217 ( -4.913 8.510 0.784) 9.858 4.396 ( 2.278 -3.946 -1.275) 4.732 4.452 ( 4.947 -8.568 3.743) 10.578 5.617 ( -6.652 11.521 -2.547) 13.545 5.837 ( 0.244 -0.422 11.275) 11.285 5.924 ( 5.192 -8.993 -1.965) 10.568 6.320 ( -1.503 2.604 7.673) 8.241 6.351 ( 0.419 -0.726 8.236) 8.278 6.824 ( -8.900 15.415 1.160) 17.838 6.929 ( -2.808 4.864 -0.148) 5.618 7.716 ( -4.868 8.431 0.100) 9.736 8.062 ( -1.762 3.051 3.559) 5.008 8.231 ( 8.278 -14.338 4.840) 17.249 8.249 ( 5.808 -10.060 7.487) 13.820 8.899 ( -1.455 2.520 15.992) 16.255 8.972 ( 1.934 -3.349 16.251) 16.705 9.522 ( 2.301 -3.985 7.375) 8.693 9.690 ( -0.913 1.582 13.617) 13.739 10.645 ( -1.523 2.638 15.203) 15.505 10.660 ( -0.053 0.091 14.716) 14.716 10.761 ( -0.292 0.506 21.186) 21.194 10.768 ( 0.185 -0.321 19.611) 19.614 10.797 ( 1.222 -2.117 17.696) 17.864 11.471 ( -1.026 1.778 4.366) 4.825 11.753 ( 0.101 -0.175 -5.108) 5.112 11.769 ( -0.612 1.060 -6.766) 6.876 12.318 ( -0.273 0.473 3.331) 3.375 15.976 ( 1.036 -1.794 -3.939) 4.450 17.147 ( 2.864 -4.960 -1.380) 5.891 17.183 ( 3.487 -6.039 -0.490) 6.991 18.242 ( -0.359 0.622 -0.483) 0.865 18.823 ( -4.762 8.249 -1.154) 9.594 19.048 ( -2.254 3.904 6.424) 7.848 19.137 ( 1.970 -3.412 7.225) 8.229 20.390 ( -0.510 0.883 3.706) 3.844 20.410 ( 0.413 -0.716 3.648) 3.741 24.280 ( 2.939 -5.090 36.353) 36.825 25.884 ( -5.415 9.378 25.072) 27.311 26.096 ( 3.948 -6.838 21.615) 23.012 31.142 ( -2.488 4.310 0.169) 4.979 31.256 ( 2.707 -4.689 0.718) 5.462 36.124 ( 0.507 -0.879 0.583) 1.170 37.153 ( -9.374 16.237 -7.919) 20.352 37.524 ( 8.074 -13.985 -9.792) 18.885 38.293 ( -0.986 1.708 -18.830) 18.933 ======================= Grid point 330 (69/80) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 0.000 -21.729) 21.729 0.805 ( 0.000 -0.000 -21.729) 21.729 1.974 ( 0.000 0.000 -14.442) 14.442 2.380 ( 0.000 0.000 -1.988) 1.988 2.647 ( 0.000 -0.000 1.233) 1.233 2.647 ( 0.000 -0.000 1.233) 1.233 2.778 ( 0.000 -0.000 5.350) 5.350 2.778 ( 0.000 0.000 5.350) 5.350 3.142 ( 0.000 0.000 -0.059) 0.059 3.633 ( -0.000 -0.000 -2.518) 2.518 3.633 ( 0.000 -0.000 -2.518) 2.518 3.826 ( 0.000 -0.000 0.680) 0.680 3.826 ( 0.000 0.000 0.680) 0.680 3.959 ( 0.000 0.000 0.226) 0.226 3.987 ( -0.000 0.000 -0.448) 0.448 4.014 ( 0.000 0.000 -2.959) 2.959 4.014 ( 0.000 -0.000 -2.959) 2.959 4.461 ( 0.000 0.000 3.957) 3.957 5.794 ( 0.000 -0.000 0.198) 0.198 5.794 ( 0.000 0.000 0.198) 0.198 5.956 ( 0.000 0.000 -1.980) 1.980 6.000 ( 0.000 0.000 0.173) 0.173 6.317 ( 0.000 0.000 3.548) 3.548 6.443 ( -0.000 -0.000 2.935) 2.935 6.443 ( 0.000 -0.000 2.935) 2.935 7.458 ( 0.000 0.000 0.079) 0.079 7.458 ( -0.000 -0.000 0.079) 0.079 8.846 ( 0.000 0.000 3.833) 3.833 8.846 ( 0.000 -0.000 3.833) 3.833 9.409 ( 0.000 -0.000 2.366) 2.366 9.409 ( 0.000 0.000 2.366) 2.366 9.608 ( 0.000 0.000 4.303) 4.303 10.130 ( 0.000 0.000 4.329) 4.329 10.933 ( 0.000 0.000 8.055) 8.055 10.933 ( 0.000 -0.000 8.055) 8.055 10.978 ( 0.000 0.000 -0.815) 0.815 10.991 ( 0.000 -0.000 10.553) 10.553 10.991 ( 0.000 -0.000 10.553) 10.553 11.270 ( 0.000 0.000 -6.513) 6.513 11.270 ( 0.000 0.000 -6.513) 6.513 11.767 ( 0.000 0.000 3.909) 3.909 12.523 ( 0.000 0.000 2.690) 2.690 16.590 ( 0.000 -0.000 -2.352) 2.352 17.829 ( 0.000 -0.000 -0.750) 0.750 17.829 ( 0.000 -0.000 -0.750) 0.750 18.203 ( 0.000 -0.000 -0.653) 0.653 18.203 ( 0.000 -0.000 -0.653) 0.653 18.771 ( 0.000 0.000 3.524) 3.524 18.771 ( 0.000 0.000 3.524) 3.524 20.395 ( 0.000 0.000 1.402) 1.402 20.487 ( 0.000 -0.000 1.255) 1.255 25.826 ( 0.000 0.000 11.053) 11.053 25.826 ( 0.000 0.000 11.053) 11.053 25.946 ( 0.000 0.000 2.800) 2.800 31.009 ( -0.000 0.000 0.105) 0.105 31.459 ( 0.000 0.000 -0.133) 0.133 36.178 ( 0.000 0.000 -0.353) 0.353 36.178 ( 0.000 0.000 -0.353) 0.353 37.954 ( -0.000 -0.000 -3.297) 3.297 37.954 ( -0.000 -0.000 -3.297) 3.297 ======================= Grid point 331 (70/80) ======================= q-point: ( 0.14 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.241 -1.462 -20.171) 20.226 0.825 ( 0.357 2.131 -23.373) 23.472 1.973 ( -0.255 -0.227 -12.655) 12.660 2.387 ( 0.671 0.068 -1.795) 1.917 2.612 ( -8.859 -4.417 3.029) 10.352 2.674 ( 0.033 0.372 2.880) 2.904 2.771 ( 0.789 -0.030 1.009) 1.281 2.816 ( 4.025 1.662 1.847) 4.730 3.104 ( -3.100 -0.954 0.019) 3.244 3.553 ( -0.892 -4.428 2.490) 5.158 3.643 ( -0.661 -0.178 -5.506) 5.548 3.742 ( -4.831 2.269 0.887) 5.410 3.858 ( 0.729 -0.966 0.412) 1.278 3.905 ( -0.313 -1.111 -1.222) 1.680 3.978 ( -0.908 -1.400 -2.227) 2.783 4.043 ( 1.692 1.112 -1.403) 2.463 4.163 ( 8.098 6.027 -0.938) 10.139 4.560 ( 8.769 5.060 3.565) 10.734 5.652 ( -8.204 -4.336 -1.114) 9.346 5.825 ( 2.670 0.648 0.199) 2.754 5.943 ( -2.779 -1.549 0.477) 3.217 6.187 ( 14.780 8.898 -0.243) 17.253 6.260 ( -3.562 -1.701 3.762) 5.453 6.451 ( 1.370 -0.549 2.747) 3.118 6.467 ( 1.036 0.921 2.226) 2.623 7.475 ( 0.434 3.556 0.564) 3.627 7.617 ( 13.672 5.254 -0.482) 14.655 8.801 ( -2.619 -3.033 5.775) 7.030 8.856 ( -1.439 0.351 0.939) 1.754 9.311 ( -8.440 -2.738 4.419) 9.912 9.360 ( -3.567 -4.163 2.070) 5.860 9.660 ( 3.868 2.443 4.118) 6.155 10.054 ( -6.581 -4.119 3.766) 8.629 10.859 ( -2.980 -3.320 7.209) 8.478 10.866 ( -3.403 -1.676 6.647) 7.653 10.983 ( 0.333 0.953 1.083) 1.481 11.060 ( 2.459 1.730 11.592) 11.976 11.069 ( 3.378 2.352 11.376) 12.097 11.290 ( 2.004 2.065 -6.689) 7.282 11.321 ( 5.753 2.535 -7.068) 9.460 11.767 ( 0.008 -0.165 3.720) 3.723 12.494 ( -2.604 -1.169 2.481) 3.782 16.436 ( -12.563 -7.186 -2.176) 14.636 17.691 ( -13.321 -7.943 -0.596) 15.521 17.778 ( -4.025 -2.474 -0.525) 4.753 18.199 ( 0.312 -0.555 -0.275) 0.693 18.223 ( 3.707 2.994 -0.356) 4.778 18.847 ( 6.948 3.535 2.773) 8.274 18.928 ( 10.787 6.690 3.102) 13.067 20.399 ( 0.412 0.230 1.390) 1.468 20.484 ( -0.280 -0.165 1.243) 1.285 25.466 ( -19.360 -10.997 9.139) 24.068 25.868 ( 3.772 1.989 10.876) 11.682 26.224 ( 12.141 7.081 5.598) 15.129 31.015 ( 0.606 0.356 0.089) 0.709 31.444 ( -1.345 -0.771 0.047) 1.551 36.174 ( -0.354 -0.219 -0.294) 0.509 36.282 ( 9.232 5.339 -0.794) 10.695 37.904 ( -4.540 -2.648 -3.379) 6.248 37.968 ( 1.169 0.702 -3.762) 4.002 ======================= Grid point 332 (71/80) ======================= q-point: ( 0.29 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 4.690 0.370 -17.266) 17.895 0.876 ( 2.144 4.107 -21.307) 21.805 1.940 ( -3.913 -2.910 -8.164) 9.509 2.191 ( -19.815 -11.308 -3.669) 23.107 2.457 ( 0.906 1.021 -2.449) 2.804 2.610 ( -5.618 -2.971 2.902) 6.987 2.817 ( 2.179 1.445 0.544) 2.671 2.883 ( -0.215 -1.054 0.112) 1.081 3.049 ( -0.357 0.300 -0.232) 0.521 3.567 ( 2.540 1.357 3.225) 4.324 3.635 ( 1.772 -4.902 -2.698) 5.869 3.705 ( -1.925 1.801 2.172) 3.416 3.802 ( -2.127 0.631 -3.626) 4.251 3.926 ( -1.666 -2.005 -1.634) 3.077 3.999 ( 2.850 2.476 0.839) 3.868 4.075 ( 2.113 1.093 -0.912) 2.548 4.327 ( 5.214 4.335 -0.857) 6.834 4.779 ( 9.564 5.658 2.282) 11.344 5.478 ( -8.140 -4.395 -1.168) 9.325 5.887 ( 3.562 0.807 0.404) 3.674 5.977 ( 4.997 3.048 1.659) 6.083 6.216 ( 2.660 2.369 2.777) 4.516 6.461 ( 1.638 -0.431 2.264) 2.827 6.484 ( 3.662 2.043 3.557) 5.498 6.543 ( 12.006 7.426 -1.512) 14.198 7.537 ( 3.039 3.717 0.554) 4.833 7.900 ( 12.231 5.916 -0.362) 13.591 8.664 ( -10.365 -7.012 3.269) 12.934 8.765 ( -8.043 -4.322 0.736) 9.160 9.151 ( -5.875 -1.877 5.689) 8.391 9.265 ( -2.638 -2.828 4.590) 6.002 9.752 ( 4.066 2.410 4.389) 6.450 9.870 ( -9.208 -5.799 2.794) 11.235 10.794 ( -1.882 -1.945 6.568) 7.104 10.821 ( -0.470 -1.656 5.103) 5.385 11.003 ( 0.775 1.181 3.140) 3.444 11.074 ( -0.817 0.131 9.445) 9.481 11.110 ( 0.036 0.835 9.908) 9.943 11.378 ( 5.049 3.329 -3.431) 6.953 11.492 ( 8.540 5.114 -4.092) 10.762 11.766 ( 0.535 -0.210 2.236) 2.309 12.435 ( -3.153 -0.631 1.999) 3.786 16.137 ( -13.635 -7.784 -1.866) 15.811 17.360 ( -14.681 -8.840 -0.534) 17.146 17.669 ( -5.281 -3.553 0.120) 6.366 18.206 ( 0.741 -0.004 0.019) 0.741 18.333 ( 4.534 2.988 -0.465) 5.450 19.029 ( 9.260 5.041 1.841) 10.702 19.143 ( 7.786 4.869 2.933) 9.640 20.412 ( 0.700 0.377 1.357) 1.573 20.476 ( -0.461 -0.280 1.229) 1.342 25.089 ( -14.911 -8.366 10.524) 20.077 25.967 ( 5.002 2.785 10.411) 11.881 26.414 ( 5.601 3.298 6.197) 8.981 31.038 ( 1.460 0.863 0.070) 1.697 31.403 ( -2.392 -1.362 0.361) 2.776 36.165 ( -0.395 -0.245 -0.177) 0.497 36.541 ( 13.709 7.910 -1.533) 15.902 37.766 ( -7.945 -4.619 -3.679) 9.899 37.997 ( 1.377 0.830 -4.778) 5.041 ======================= Grid point 333 (72/80) ======================= q-point: ( 0.43 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 2.167 0.884 -6.302) 6.722 0.936 ( 1.044 1.793 -20.650) 20.754 1.697 ( -10.339 -6.767 -10.052) 15.929 2.006 ( -0.882 -0.737 -9.232) 9.304 2.442 ( -1.678 -1.001 -0.376) 1.990 2.508 ( -3.771 -1.305 1.238) 4.178 2.833 ( 0.047 0.632 0.130) 0.647 2.863 ( 0.119 -0.245 -0.589) 0.649 3.066 ( 0.562 -0.440 0.216) 0.745 3.578 ( -1.405 -1.198 -0.208) 1.858 3.654 ( 3.913 1.091 0.313) 4.074 3.712 ( 0.727 -1.373 2.429) 2.884 3.808 ( -0.097 1.697 -1.675) 2.387 3.883 ( -0.903 -0.954 -3.914) 4.129 3.994 ( -1.946 -0.453 0.657) 2.103 4.159 ( 3.562 2.036 0.953) 4.212 4.381 ( -0.758 0.754 0.252) 1.098 4.953 ( 6.116 4.004 0.630) 7.337 5.319 ( -6.058 -3.262 -0.782) 6.924 5.931 ( 2.136 0.137 0.588) 2.220 5.993 ( -2.026 -1.721 3.121) 4.100 6.424 ( 5.504 5.169 2.203) 7.866 6.468 ( -0.094 -0.151 1.998) 2.006 6.607 ( 11.722 5.591 0.685) 13.005 6.753 ( 4.112 2.536 -0.329) 4.842 7.628 ( 3.353 2.522 0.627) 4.242 8.033 ( -0.711 -0.693 0.274) 1.030 8.402 ( -7.617 -4.718 0.290) 8.964 8.595 ( -5.765 -3.081 2.739) 7.087 9.096 ( -0.950 -0.574 5.038) 5.159 9.242 ( 0.687 -0.109 6.628) 6.664 9.694 ( -5.048 -3.148 2.471) 6.442 9.825 ( 1.886 0.985 4.633) 5.099 10.762 ( -0.185 -1.505 6.121) 6.306 10.811 ( 0.544 -1.200 4.455) 4.646 11.024 ( 0.362 1.023 4.209) 4.346 11.063 ( -0.480 0.382 8.471) 8.494 11.103 ( -1.006 0.459 8.215) 8.289 11.476 ( 3.148 1.426 1.220) 3.665 11.606 ( 1.255 1.535 -1.665) 2.589 11.801 ( 2.354 0.996 -1.621) 3.026 12.396 ( -1.711 0.969 1.625) 2.551 15.914 ( -5.930 -3.412 -1.625) 7.032 17.125 ( -5.811 -3.787 -0.617) 6.963 17.575 ( -2.277 -2.014 0.553) 3.090 18.217 ( 0.540 -0.221 -0.008) 0.583 18.402 ( 1.536 1.163 -0.622) 2.025 19.191 ( 4.901 2.774 1.451) 5.815 19.249 ( 1.814 1.232 2.972) 3.694 20.425 ( 0.488 0.241 1.315) 1.423 20.466 ( -0.333 -0.218 1.239) 1.302 24.865 ( -5.644 -2.964 11.451) 13.106 26.053 ( 2.439 1.383 9.921) 10.309 26.482 ( 1.198 0.742 6.918) 7.060 31.069 ( 1.072 0.650 0.072) 1.255 31.356 ( -1.501 -0.835 0.526) 1.796 36.159 ( -0.156 -0.107 -0.099) 0.214 36.803 ( 8.392 4.829 -1.667) 9.824 37.599 ( -5.845 -3.411 -4.254) 7.994 38.020 ( 0.574 0.373 -5.565) 5.607 ======================= Grid point 338 (73/80) ======================= q-point: ( 0.14 0.14 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 1.441 2.496 -18.788) 19.008 0.890 ( 2.821 4.886 -22.597) 23.290 1.971 ( -0.227 -0.393 -9.590) 9.601 2.346 ( -4.221 -7.312 1.043) 8.507 2.486 ( -6.104 -10.572 -1.473) 12.296 2.506 ( -7.380 -12.782 -0.319) 14.763 2.817 ( 1.371 2.376 -0.195) 2.750 2.861 ( 2.045 3.542 1.528) 4.365 3.062 ( -1.605 -2.779 -1.113) 3.397 3.569 ( 2.472 4.281 7.768) 9.208 3.603 ( -1.220 -2.113 -3.342) 4.138 3.772 ( -3.025 -5.239 0.103) 6.050 3.855 ( 3.853 6.674 -2.608) 8.136 3.920 ( 1.741 3.015 2.307) 4.177 3.958 ( 0.044 0.076 -3.936) 3.937 4.066 ( 0.294 0.509 -1.364) 1.485 4.300 ( 4.642 8.040 -2.552) 9.628 4.682 ( 3.012 5.218 2.989) 6.725 5.543 ( -3.688 -6.388 -1.659) 7.561 5.869 ( 2.775 4.806 1.499) 5.748 5.945 ( 1.775 3.075 0.860) 3.653 6.216 ( -0.619 -1.072 2.912) 3.164 6.418 ( 4.351 7.536 4.292) 9.703 6.480 ( 5.487 9.503 -1.129) 11.031 6.486 ( 0.786 1.361 2.207) 2.710 7.549 ( 2.253 3.902 -2.188) 5.009 7.801 ( 7.192 12.457 1.446) 14.456 8.715 ( -4.021 -6.964 5.862) 9.951 8.802 ( -4.178 -7.237 -0.526) 8.373 9.216 ( -4.377 -7.581 2.445) 9.088 9.258 ( -2.401 -4.159 6.690) 8.235 9.730 ( 2.631 4.557 4.133) 6.690 9.917 ( -5.694 -9.861 3.549) 11.927 10.789 ( -1.620 -2.806 6.220) 7.014 10.832 ( -1.230 -2.130 7.626) 8.013 11.000 ( 0.602 1.043 2.068) 2.393 11.089 ( 0.268 0.464 9.763) 9.778 11.107 ( 0.771 1.336 9.857) 9.977 11.356 ( 2.769 4.797 -5.128) 7.548 11.439 ( 5.532 9.582 -5.268) 12.255 11.759 ( -0.467 -0.809 3.380) 3.507 12.462 ( -1.066 -1.846 1.280) 2.486 16.224 ( -7.838 -13.576 -2.050) 15.810 17.517 ( -7.987 -13.833 -0.015) 15.973 17.569 ( -7.419 -12.851 -0.008) 14.839 18.178 ( 0.497 0.860 0.222) 1.018 18.409 ( 6.553 11.350 -0.645) 13.122 18.924 ( 3.427 5.936 2.560) 7.317 19.115 ( 5.772 9.997 2.538) 11.819 20.408 ( 0.376 0.651 1.388) 1.579 20.478 ( -0.264 -0.457 1.241) 1.349 25.176 ( -9.850 -17.061 9.976) 22.082 25.948 ( 3.525 6.105 10.647) 12.769 26.372 ( 3.834 6.640 5.937) 9.697 31.032 ( 0.907 1.572 0.063) 1.816 31.414 ( -1.451 -2.513 0.265) 2.913 36.164 ( -0.443 -0.768 -0.140) 0.898 36.469 ( 8.053 13.948 -1.443) 16.170 37.805 ( -4.559 -7.897 -3.439) 9.745 37.993 ( 1.020 1.766 -4.612) 5.043 ======================= Grid point 339 (74/80) ======================= q-point: ( 0.29 0.14 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 4.137 6.181 -14.901) 16.654 0.980 ( 0.458 6.037 -18.302) 19.277 1.899 ( -13.449 -0.877 -3.911) 14.033 2.048 ( -9.042 -4.025 -7.003) 12.124 2.341 ( 5.764 -20.607 -2.082) 21.500 2.416 ( 1.023 -5.170 -1.901) 5.602 2.813 ( -2.214 -3.099 -0.486) 3.839 2.843 ( -0.196 -3.327 -0.352) 3.351 3.091 ( 1.355 4.467 1.202) 4.820 3.580 ( -0.461 -1.864 -0.860) 2.104 3.627 ( 1.064 3.348 3.931) 5.272 3.698 ( -0.056 -2.581 0.498) 2.629 3.897 ( -3.114 4.006 1.232) 5.221 3.943 ( -2.316 5.990 -1.255) 6.544 4.025 ( -2.299 1.211 -1.673) 3.090 4.108 ( 6.532 3.569 -0.363) 7.452 4.417 ( -0.992 5.295 -2.631) 5.995 4.743 ( 10.102 -9.565 1.205) 13.964 5.440 ( -6.074 2.222 -1.375) 6.612 5.918 ( 1.021 0.406 2.377) 2.619 6.010 ( -0.881 -0.868 2.545) 2.830 6.347 ( 9.555 9.409 0.317) 13.413 6.451 ( 0.875 -0.363 3.420) 3.548 6.555 ( 5.502 9.330 1.979) 11.011 6.743 ( 6.638 12.406 -0.740) 14.090 7.625 ( 1.933 5.227 -1.080) 5.677 8.000 ( 5.937 4.348 0.861) 7.409 8.495 ( -12.557 -10.942 1.792) 16.751 8.609 ( -5.153 -12.454 1.259) 13.536 9.111 ( -2.060 -1.783 5.312) 5.970 9.217 ( 0.523 -2.059 7.124) 7.434 9.729 ( -5.669 -7.898 2.998) 10.173 9.812 ( 2.259 3.272 4.671) 6.134 10.760 ( -0.373 -0.763 6.586) 6.641 10.796 ( -0.720 -1.581 7.169) 7.376 11.022 ( 0.802 1.077 3.381) 3.638 11.086 ( -0.933 1.004 7.789) 7.909 11.116 ( -0.162 -0.021 7.494) 7.496 11.446 ( 2.849 3.113 0.206) 4.225 11.612 ( 3.437 7.190 -3.661) 8.770 11.751 ( 2.005 -1.466 0.354) 2.509 12.440 ( -1.268 1.400 -0.230) 1.903 15.994 ( -7.690 -6.292 -1.756) 10.090 17.212 ( -11.852 -7.093 0.039) 13.812 17.415 ( 3.820 -18.421 0.683) 18.825 18.201 ( 1.004 0.366 0.571) 1.212 18.565 ( -3.579 16.220 -0.547) 16.619 19.075 ( 9.592 1.818 2.001) 9.966 19.243 ( 1.832 3.379 2.446) 4.556 20.422 ( 0.514 0.728 1.376) 1.639 20.468 ( -0.367 -0.558 1.261) 1.427 24.905 ( -6.832 -9.995 10.969) 16.338 26.068 ( 2.425 7.645 9.965) 12.792 26.446 ( 2.099 -0.572 6.740) 7.083 31.073 ( 1.203 3.074 0.066) 3.302 31.356 ( -1.698 -3.715 0.426) 4.107 36.150 ( -0.009 -1.165 0.040) 1.166 36.757 ( 9.265 14.636 -2.001) 17.437 37.625 ( -6.180 -10.388 -3.620) 12.618 38.024 ( 0.567 1.734 -5.655) 5.942 ======================= Grid point 340 (75/80) ======================= q-point: ( 0.43 0.14 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -3.084 5.342 -5.534) 8.287 0.991 ( -2.127 3.684 -20.383) 20.822 1.719 ( -4.840 8.384 -9.120) 13.300 2.003 ( 0.020 -0.034 -7.312) 7.312 2.294 ( 9.806 -16.985 -2.711) 19.799 2.384 ( 2.628 -4.551 0.386) 5.270 2.799 ( 1.942 -3.363 -0.897) 3.985 2.803 ( 2.388 -4.135 -1.589) 5.033 3.122 ( -2.317 4.013 2.142) 5.105 3.557 ( 0.425 -0.735 -0.353) 0.919 3.673 ( -0.225 0.390 1.119) 1.206 3.689 ( 0.615 -1.066 2.571) 2.850 3.881 ( -2.136 3.699 -0.134) 4.274 3.975 ( -5.130 8.885 -2.187) 10.489 3.980 ( 0.479 -0.830 0.088) 0.963 4.201 ( -1.719 2.978 0.584) 3.488 4.395 ( -0.673 1.165 -1.187) 1.795 4.808 ( 9.577 -16.588 -0.525) 19.162 5.399 ( -6.654 11.524 -1.004) 13.345 5.947 ( 1.169 -2.025 0.190) 2.346 5.960 ( 0.568 -0.983 4.776) 4.909 6.445 ( 0.879 -1.523 0.981) 2.014 6.454 ( 0.376 -0.651 3.246) 3.332 6.777 ( -4.963 8.596 -0.059) 9.926 6.836 ( -3.784 6.554 -0.356) 7.576 7.680 ( -1.659 2.873 -0.026) 3.318 8.044 ( -1.804 3.124 0.819) 3.699 8.301 ( 3.321 -5.753 0.473) 6.660 8.491 ( 4.730 -8.192 1.607) 9.595 9.092 ( -0.393 0.680 6.199) 6.249 9.218 ( 1.454 -2.518 7.331) 7.887 9.636 ( 1.441 -2.496 2.709) 3.956 9.848 ( -0.770 1.334 5.003) 5.235 10.752 ( -0.236 0.408 7.456) 7.471 10.785 ( 0.806 -1.396 6.263) 6.467 11.036 ( -0.274 0.475 3.779) 3.819 11.084 ( -0.851 1.474 7.199) 7.398 11.112 ( -0.230 0.399 6.815) 6.830 11.485 ( 0.261 -0.453 4.107) 4.140 11.657 ( -2.054 3.558 -3.230) 5.226 11.783 ( 1.456 -2.522 -2.811) 4.047 12.439 ( -1.738 3.010 -0.868) 3.582 15.897 ( -0.773 1.339 -1.563) 2.199 17.076 ( 0.642 -1.111 0.011) 1.283 17.356 ( 9.203 -15.941 0.942) 18.431 18.211 ( 0.186 -0.323 0.728) 0.818 18.609 ( -9.101 15.764 -0.532) 18.210 19.197 ( 1.261 -2.185 1.358) 2.865 19.247 ( 0.737 -1.276 2.878) 3.233 20.432 ( -0.237 0.410 1.354) 1.434 20.460 ( 0.211 -0.366 1.289) 1.356 24.799 ( 1.947 -3.372 11.356) 12.005 26.131 ( -3.639 6.303 9.504) 11.971 26.453 ( 2.145 -3.716 7.289) 8.458 31.104 ( -1.723 2.985 0.085) 3.448 31.317 ( 1.826 -3.162 0.455) 3.680 36.145 ( 0.640 -1.109 0.112) 1.285 36.937 ( -5.026 8.706 -1.983) 10.246 37.493 ( 4.245 -7.353 -3.921) 9.352 38.037 ( -0.665 1.152 -6.106) 6.250 ======================= Grid point 347 (76/80) ======================= q-point: ( 0.29 0.29 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 3.415 5.914 -13.841) 15.434 1.049 ( 0.393 0.680 -12.898) 12.921 1.900 ( -1.128 -1.954 -4.034) 4.622 1.964 ( -2.365 -4.096 -2.614) 5.404 2.083 ( -1.599 -2.770 -12.212) 12.624 2.321 ( -2.403 -4.162 1.175) 4.948 2.751 ( -0.991 -1.716 -1.812) 2.685 2.771 ( -1.925 -3.334 -1.832) 4.263 3.160 ( 1.124 1.948 3.524) 4.181 3.548 ( -0.793 -1.373 -1.303) 2.052 3.677 ( 0.946 1.638 3.631) 4.094 3.683 ( 0.401 0.694 1.575) 1.767 3.923 ( 0.517 0.896 -0.706) 1.252 3.964 ( -1.035 -1.792 0.164) 2.076 4.071 ( 0.801 1.388 1.015) 1.897 4.252 ( 5.863 10.156 -0.569) 11.741 4.491 ( -0.588 -1.019 -4.922) 5.061 4.511 ( -5.671 -9.823 1.286) 11.415 5.585 ( 6.376 11.044 -1.198) 12.809 5.865 ( -4.039 -6.995 0.009) 8.077 5.955 ( -1.328 -2.301 4.734) 5.428 6.429 ( 0.809 1.401 2.294) 2.807 6.446 ( -0.215 -0.372 3.167) 3.196 6.847 ( 8.388 14.529 -0.518) 16.785 6.931 ( 3.136 5.432 -0.564) 6.298 7.717 ( 2.274 3.939 -0.540) 4.581 8.086 ( 3.669 6.355 1.123) 7.424 8.288 ( -6.196 -10.732 0.419) 12.399 8.336 ( -7.338 -12.709 0.981) 14.708 9.113 ( 0.996 1.725 7.159) 7.431 9.177 ( -1.328 -2.299 7.520) 7.975 9.612 ( -2.103 -3.643 2.840) 5.075 9.863 ( 0.967 1.675 5.214) 5.561 10.761 ( 0.175 0.303 7.122) 7.131 10.768 ( -0.550 -0.952 7.812) 7.889 11.042 ( 0.459 0.795 3.394) 3.516 11.103 ( 0.371 0.642 6.833) 6.873 11.114 ( -0.103 -0.178 6.476) 6.479 11.476 ( 0.199 0.345 5.344) 5.359 11.723 ( 1.597 2.767 -4.467) 5.492 11.725 ( 0.008 0.014 -3.199) 3.199 12.474 ( 0.840 1.454 -1.718) 2.403 15.922 ( -0.960 -1.663 -1.557) 2.472 17.101 ( -2.945 -5.101 0.478) 5.909 17.146 ( -4.016 -6.956 0.800) 8.072 18.207 ( 0.099 0.171 1.076) 1.094 18.807 ( 4.319 7.481 -0.684) 8.666 19.134 ( 2.763 4.785 2.129) 5.921 19.239 ( -2.059 -3.567 2.346) 4.740 20.437 ( 0.468 0.811 1.370) 1.660 20.456 ( -0.413 -0.716 1.315) 1.553 24.764 ( -2.433 -4.214 11.358) 12.356 26.222 ( 4.464 7.731 9.030) 12.698 26.389 ( -2.799 -4.848 7.697) 9.517 31.149 ( 2.664 4.613 0.157) 5.329 31.271 ( -2.829 -4.900 0.350) 5.669 36.132 ( -0.348 -0.602 0.283) 0.750 37.049 ( 8.776 15.201 -2.582) 17.741 37.395 ( -7.672 -13.288 -3.261) 15.686 38.050 ( 0.476 0.824 -6.461) 6.530 ======================= Grid point 351 (77/80) ======================= q-point: (-0.14 0.29 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -2.341 4.054 -17.168) 17.795 0.836 ( -1.721 2.982 -23.259) 23.512 1.979 ( -0.247 0.428 -10.646) 10.657 2.362 ( 4.333 -7.505 -0.314) 8.672 2.445 ( 5.721 -9.910 2.238) 11.660 2.516 ( 7.998 -13.853 -0.835) 16.018 2.820 ( -0.990 1.715 -0.369) 2.015 2.880 ( -2.297 3.978 -0.332) 4.605 3.046 ( 1.372 -2.377 0.283) 2.759 3.569 ( 0.007 -0.012 0.046) 0.048 3.696 ( -0.753 1.304 0.925) 1.766 3.764 ( -5.933 10.276 -1.099) 11.917 3.777 ( 3.427 -5.936 -0.508) 6.873 3.944 ( -1.531 2.651 0.339) 3.080 3.965 ( 0.378 -0.654 -2.812) 2.911 4.061 ( -0.283 0.490 -1.192) 1.320 4.271 ( -3.963 6.864 0.391) 7.936 4.682 ( -3.024 5.238 2.990) 6.747 5.537 ( 3.729 -6.459 -1.091) 7.537 5.886 ( -3.484 6.034 0.005) 6.967 5.945 ( -1.459 2.528 0.530) 2.967 6.207 ( 0.989 -1.713 3.890) 4.364 6.432 ( -7.165 12.409 2.989) 14.638 6.478 ( -2.642 4.575 -1.108) 5.398 6.489 ( -1.052 1.823 1.906) 2.839 7.502 ( -2.272 3.935 2.611) 5.241 7.831 ( -6.993 12.112 -1.710) 14.089 8.748 ( 3.731 -6.462 5.446) 9.237 8.783 ( 4.203 -7.280 -1.555) 8.549 9.173 ( 4.162 -7.209 7.099) 10.940 9.295 ( 2.674 -4.632 2.625) 5.958 9.728 ( -2.703 4.683 4.380) 6.958 9.926 ( 5.542 -9.599 2.576) 11.379 10.805 ( 1.299 -2.250 5.316) 5.917 10.855 ( 0.505 -0.875 5.401) 5.494 10.985 ( -0.378 0.654 3.054) 3.146 11.079 ( 0.006 -0.010 10.460) 10.460 11.094 ( -0.410 0.710 11.204) 11.234 11.345 ( -2.885 4.996 -4.252) 7.167 11.440 ( -5.046 8.741 -5.113) 11.314 11.767 ( 0.197 -0.340 2.646) 2.675 12.445 ( 1.789 -3.098 2.998) 4.668 16.222 ( 7.864 -13.621 -1.863) 15.838 17.526 ( 7.847 -13.591 -0.924) 15.721 17.573 ( 7.183 -12.441 -0.378) 14.371 18.183 ( -0.668 1.157 -0.304) 1.370 18.405 ( -6.559 11.361 -0.238) 13.121 18.928 ( -3.384 5.861 2.077) 7.079 19.110 ( -5.759 9.975 3.067) 11.920 20.408 ( -0.392 0.679 1.349) 1.560 20.478 ( 0.255 -0.442 1.220) 1.322 25.172 ( 9.946 -17.227 10.419) 22.456 25.950 ( -3.515 6.088 10.395) 12.550 26.370 ( -3.816 6.610 6.065) 9.749 31.031 ( -0.895 1.551 0.094) 1.793 31.414 ( 1.463 -2.533 0.294) 2.940 36.164 ( 0.438 -0.759 -0.173) 0.894 36.469 ( -8.061 13.962 -1.444) 16.186 37.805 ( 4.549 -7.879 -3.493) 9.745 37.992 ( -1.007 1.745 -4.552) 4.977 ======================= Grid point 359 (78/80) ======================= q-point: (-0.29 0.43 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 319 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -1.446 6.148 -11.761) 13.349 0.926 ( -3.183 5.502 -20.027) 21.012 1.923 ( 15.236 0.542 -5.402) 16.175 2.045 ( 7.416 -3.825 -8.218) 11.712 2.319 ( -4.591 -22.545 0.723) 23.019 2.417 ( -2.842 -4.129 -2.121) 5.443 2.807 ( 2.431 -2.871 0.030) 3.762 2.845 ( 0.644 -4.887 -0.515) 4.956 3.102 ( -1.927 6.061 -0.100) 6.361 3.577 ( -0.191 -1.264 -0.760) 1.487 3.673 ( 2.174 2.009 -0.723) 3.047 3.726 ( -1.234 -1.147 -0.934) 1.927 3.874 ( 3.352 6.428 1.658) 7.436 3.963 ( 2.694 5.808 -2.705) 6.950 3.998 ( 1.437 0.985 1.255) 2.147 4.107 ( -6.320 2.545 -0.068) 6.813 4.379 ( -0.714 3.101 1.139) 3.380 4.738 ( -9.329 -9.943 1.893) 13.766 5.435 ( 5.942 2.186 -0.821) 6.384 5.943 ( -0.573 0.612 -0.156) 0.853 6.019 ( 0.686 -0.081 1.502) 1.653 6.315 ( -9.277 9.292 3.488) 13.586 6.465 ( -0.088 -0.438 2.204) 2.249 6.567 ( -5.745 8.848 0.823) 10.582 6.737 ( -6.998 12.485 -0.235) 14.314 7.599 ( -3.673 5.440 1.609) 6.758 8.015 ( -4.861 4.409 -0.718) 6.601 8.507 ( 13.928 -11.139 0.645) 17.846 8.602 ( 4.442 -12.937 1.961) 13.819 9.101 ( 0.537 -0.740 6.400) 6.465 9.234 ( 0.491 -1.950 5.143) 5.522 9.737 ( 6.028 -7.870 2.223) 10.160 9.813 ( -2.351 3.486 4.492) 6.153 10.788 ( 0.337 0.727 4.209) 4.285 10.834 ( 1.361 0.061 3.612) 3.860 11.003 ( -1.092 0.183 5.000) 5.121 11.069 ( 0.673 0.199 9.397) 9.423 11.095 ( 0.019 -0.873 9.622) 9.662 11.449 ( -3.625 4.331 -0.628) 5.683 11.597 ( -3.265 6.068 -2.191) 7.230 11.759 ( -1.499 -1.912 0.022) 2.429 12.400 ( 1.194 -0.690 3.738) 3.985 15.993 ( 7.591 -6.277 -1.633) 9.984 17.223 ( 12.038 -6.550 -1.016) 13.742 17.427 ( -3.865 -17.930 -0.537) 18.349 18.212 ( -0.983 0.989 -0.564) 1.504 18.562 ( 3.569 16.257 -0.220) 16.645 19.077 ( -9.468 1.660 1.809) 9.781 19.239 ( -1.950 3.365 2.877) 4.837 20.423 ( -0.510 0.774 1.287) 1.586 20.468 ( 0.365 -0.524 1.206) 1.364 24.898 ( 6.768 -10.297 11.664) 16.967 26.069 ( -2.342 7.609 9.849) 12.664 26.444 ( -2.141 -0.618 6.882) 7.233 31.072 ( -1.205 3.036 0.135) 3.269 31.355 ( 1.697 -3.753 0.494) 4.148 36.151 ( 0.015 -1.150 -0.003) 1.150 36.757 ( -9.268 14.663 -2.033) 17.465 37.626 ( 6.188 -10.359 -3.698) 12.620 38.023 ( -0.576 1.698 -5.563) 5.845 ======================= Grid point 365 (79/80) ======================= q-point: (-0.43 0.57 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 2.831 4.903 -4.226) 7.064 0.988 ( 2.278 3.946 -19.804) 20.322 1.739 ( 5.056 8.757 -11.046) 14.975 2.008 ( 0.272 0.470 -8.512) 8.529 2.258 ( -10.789 -18.688 1.254) 21.615 2.407 ( -1.841 -3.188 -1.789) 4.093 2.793 ( -2.297 -3.979 -0.206) 4.600 2.793 ( -2.617 -4.533 -0.663) 5.276 3.147 ( 3.069 5.315 -0.343) 6.147 3.556 ( -0.837 -1.449 -0.298) 1.699 3.704 ( 1.003 1.738 -1.969) 2.811 3.723 ( 0.223 0.386 -0.409) 0.605 3.865 ( 2.279 3.948 0.841) 4.635 3.968 ( -0.656 -1.137 1.298) 1.846 3.976 ( 5.136 8.895 -2.204) 10.505 4.198 ( 1.465 2.538 0.960) 3.083 4.361 ( -0.348 -0.603 2.060) 2.175 4.791 ( -10.120 -17.528 1.293) 20.280 5.396 ( 6.638 11.498 -0.628) 13.291 5.962 ( -1.197 -2.073 -1.483) 2.816 5.978 ( -0.137 -0.237 2.950) 2.962 6.425 ( -0.403 -0.697 2.917) 3.027 6.459 ( -0.311 -0.539 2.689) 2.760 6.778 ( 4.399 7.619 -0.023) 8.798 6.832 ( 3.717 6.439 0.043) 7.435 7.676 ( 1.715 2.970 0.466) 3.461 8.046 ( 1.844 3.193 0.598) 3.735 8.305 ( -3.419 -5.922 0.039) 6.838 8.483 ( -4.890 -8.469 2.555) 10.108 9.099 ( 0.653 1.131 5.343) 5.500 9.229 ( -1.190 -2.061 6.176) 6.619 9.639 ( -1.394 -2.414 2.316) 3.624 9.852 ( 0.889 1.540 4.615) 4.946 10.790 ( 1.179 2.041 3.937) 4.589 10.822 ( 0.066 0.114 2.738) 2.741 11.015 ( -0.276 -0.477 5.798) 5.824 11.067 ( 0.367 0.635 8.937) 8.967 11.087 ( -0.274 -0.474 9.281) 9.298 11.509 ( 0.739 1.280 1.243) 1.931 11.631 ( 1.400 2.425 -0.762) 2.902 11.780 ( -2.091 -3.621 -2.110) 4.684 12.390 ( 0.645 1.118 4.044) 4.245 15.897 ( 0.770 1.333 -1.562) 2.193 17.088 ( -0.321 -0.556 -1.158) 1.324 17.371 ( -8.919 -15.448 -0.546) 17.847 18.225 ( 0.176 0.305 -0.704) 0.788 18.605 ( 9.126 15.807 -0.222) 18.254 19.196 ( -1.300 -2.251 1.450) 2.976 19.245 ( -0.795 -1.377 3.099) 3.483 20.433 ( 0.261 0.452 1.249) 1.354 20.461 ( -0.190 -0.329 1.212) 1.270 24.792 ( -2.128 -3.685 12.146) 12.870 26.131 ( 3.623 6.275 9.497) 11.945 26.452 ( -2.170 -3.759 7.405) 8.584 31.104 ( 1.701 2.947 0.171) 3.407 31.316 ( -1.848 -3.201 0.541) 3.735 36.145 ( -0.631 -1.093 0.068) 1.264 36.938 ( 5.042 8.732 -2.032) 10.286 37.494 ( -4.229 -7.325 -4.006) 9.359 38.036 ( 0.644 1.115 -6.004) 6.140 ======================= Grid point 367 (80/80) ======================= q-point: (-0.29 0.57 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -1.972 3.415 -9.775) 10.540 1.023 ( -2.120 3.671 -14.894) 15.485 1.942 ( 3.968 -6.872 -6.567) 10.300 1.961 ( 2.244 -3.888 -2.839) 5.311 2.018 ( -0.009 0.016 -7.507) 7.507 2.359 ( 1.187 -2.057 -2.558) 3.491 2.741 ( 1.435 -2.486 -0.885) 3.004 2.755 ( 1.943 -3.366 -0.189) 3.891 3.201 ( -1.770 3.066 -0.515) 3.577 3.538 ( 1.035 -1.793 -0.337) 2.097 3.720 ( -1.267 2.195 -2.111) 3.299 3.733 ( -0.579 1.002 -1.659) 2.023 3.909 ( -0.513 0.888 0.433) 1.113 3.954 ( 1.223 -2.118 1.148) 2.701 4.077 ( -0.685 1.186 0.357) 1.415 4.239 ( -5.848 10.128 0.969) 11.735 4.414 ( 1.009 -1.748 2.774) 3.430 4.507 ( 5.856 -10.143 1.662) 11.829 5.582 ( -6.552 11.349 -0.920) 13.137 5.877 ( 4.687 -8.119 -1.377) 9.475 5.978 ( 0.888 -1.538 2.506) 3.072 6.422 ( -1.371 2.375 2.866) 3.967 6.452 ( 0.455 -0.788 2.403) 2.569 6.838 ( -8.197 14.197 0.470) 16.400 6.926 ( -3.042 5.269 -0.019) 6.084 7.713 ( -3.157 5.469 -0.084) 6.315 8.094 ( -3.207 5.555 0.358) 6.424 8.281 ( 7.035 -12.186 1.145) 14.117 8.330 ( 6.919 -11.984 1.766) 13.950 9.124 ( -1.402 2.428 6.010) 6.632 9.194 ( 1.392 -2.411 5.688) 6.333 9.616 ( 2.205 -3.819 2.361) 5.002 9.869 ( -1.056 1.829 4.597) 5.059 10.811 ( -0.641 1.111 2.482) 2.794 10.824 ( 0.391 -0.677 2.551) 2.668 11.011 ( -0.272 0.471 6.373) 6.396 11.075 ( -0.174 0.301 9.581) 9.588 11.083 ( 0.242 -0.419 9.510) 9.523 11.521 ( -1.696 2.938 0.367) 3.413 11.690 ( -1.210 2.096 -1.241) 2.720 11.702 ( 1.276 -2.209 -0.528) 2.605 12.407 ( -0.446 0.772 4.866) 4.947 15.921 ( 0.933 -1.616 -1.519) 2.406 17.119 ( 2.821 -4.886 -1.338) 5.798 17.165 ( 3.891 -6.740 -1.088) 7.858 18.227 ( -0.264 0.457 -0.984) 1.117 18.805 ( -4.354 7.541 -0.473) 8.720 19.132 ( -2.676 4.635 2.257) 5.808 19.235 ( 2.026 -3.510 2.687) 4.863 20.439 ( -0.473 0.819 1.226) 1.549 20.457 ( 0.398 -0.689 1.198) 1.438 24.754 ( 2.498 -4.327 12.466) 13.430 26.222 ( -4.416 7.649 9.059) 12.651 26.388 ( 2.785 -4.825 7.858) 9.632 31.148 ( -2.654 4.596 0.281) 5.315 31.270 ( 2.839 -4.917 0.474) 5.698 36.132 ( 0.345 -0.598 0.222) 0.725 37.050 ( -8.788 15.220 -2.662) 17.776 37.396 ( 7.670 -13.285 -3.366) 15.705 38.049 ( -0.469 0.813 -6.325) 6.394 =================== 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 3/38220 10.0 12.522 12.522 12.787 -0.000 0.000 -0.000 3/38220 20.0 2.664 2.664 5.431 -0.000 0.000 -0.000 3/38220 30.0 1.373 1.373 3.369 -0.000 0.000 -0.000 3/38220 40.0 0.936 0.936 2.546 -0.000 0.000 -0.000 3/38220 50.0 0.732 0.732 2.130 -0.000 0.000 -0.000 3/38220 60.0 0.618 0.618 1.896 -0.000 0.000 -0.000 3/38220 70.0 0.548 0.548 1.757 -0.000 0.000 -0.000 3/38220 80.0 0.501 0.501 1.669 -0.000 0.000 -0.000 3/38220 90.0 0.466 0.466 1.609 -0.000 0.000 -0.000 3/38220 100.0 0.440 0.440 1.564 -0.000 0.000 -0.000 3/38220 110.0 0.419 0.419 1.527 -0.000 0.000 -0.000 3/38220 120.0 0.401 0.401 1.494 -0.000 0.000 -0.000 3/38220 130.0 0.386 0.386 1.463 -0.000 0.000 -0.000 3/38220 140.0 0.372 0.372 1.434 -0.000 0.000 -0.000 3/38220 150.0 0.360 0.360 1.405 -0.000 0.000 -0.000 3/38220 160.0 0.350 0.350 1.378 -0.000 0.000 -0.000 3/38220 170.0 0.340 0.340 1.352 -0.000 0.000 -0.000 3/38220 180.0 0.331 0.331 1.327 -0.000 0.000 -0.000 3/38220 190.0 0.322 0.322 1.302 -0.000 0.000 -0.000 3/38220 200.0 0.315 0.315 1.279 -0.000 0.000 -0.000 3/38220 210.0 0.307 0.307 1.256 -0.000 0.000 -0.000 3/38220 220.0 0.300 0.300 1.234 -0.000 0.000 -0.000 3/38220 230.0 0.294 0.294 1.213 -0.000 0.000 -0.000 3/38220 240.0 0.287 0.287 1.192 -0.000 0.000 -0.000 3/38220 250.0 0.282 0.282 1.171 -0.000 0.000 -0.000 3/38220 260.0 0.276 0.276 1.152 -0.000 0.000 -0.000 3/38220 270.0 0.270 0.270 1.133 -0.000 0.000 -0.000 3/38220 280.0 0.265 0.265 1.114 -0.000 0.000 -0.000 3/38220 290.0 0.260 0.260 1.096 -0.000 0.000 -0.000 3/38220 300.0 0.255 0.255 1.078 -0.000 0.000 -0.000 3/38220 310.0 0.251 0.251 1.061 -0.000 0.000 -0.000 3/38220 320.0 0.246 0.246 1.044 -0.000 0.000 -0.000 3/38220 330.0 0.242 0.242 1.027 -0.000 0.000 -0.000 3/38220 340.0 0.238 0.238 1.011 -0.000 0.000 -0.000 3/38220 350.0 0.234 0.234 0.996 -0.000 0.000 -0.000 3/38220 360.0 0.230 0.230 0.980 -0.000 0.000 -0.000 3/38220 370.0 0.226 0.226 0.965 -0.000 0.000 -0.000 3/38220 380.0 0.222 0.222 0.951 -0.000 0.000 -0.000 3/38220 390.0 0.219 0.219 0.936 -0.000 0.000 -0.000 3/38220 400.0 0.215 0.215 0.922 -0.000 0.000 -0.000 3/38220 410.0 0.212 0.212 0.909 -0.000 0.000 -0.000 3/38220 420.0 0.209 0.209 0.896 -0.000 0.000 -0.000 3/38220 430.0 0.205 0.205 0.882 -0.000 0.000 -0.000 3/38220 440.0 0.202 0.202 0.870 -0.000 0.000 -0.000 3/38220 450.0 0.199 0.199 0.857 -0.000 0.000 -0.000 3/38220 460.0 0.196 0.196 0.845 -0.000 0.000 -0.000 3/38220 470.0 0.193 0.193 0.833 -0.000 0.000 -0.000 3/38220 480.0 0.191 0.191 0.822 -0.000 0.000 -0.000 3/38220 490.0 0.188 0.188 0.811 -0.000 0.000 -0.000 3/38220 500.0 0.185 0.185 0.799 -0.000 0.000 -0.000 3/38220 510.0 0.183 0.183 0.789 -0.000 0.000 -0.000 3/38220 520.0 0.180 0.180 0.778 -0.000 0.000 -0.000 3/38220 530.0 0.178 0.178 0.768 -0.000 0.000 -0.000 3/38220 540.0 0.175 0.175 0.758 -0.000 0.000 -0.000 3/38220 550.0 0.173 0.173 0.748 -0.000 0.000 -0.000 3/38220 560.0 0.171 0.171 0.738 -0.000 0.000 -0.000 3/38220 570.0 0.168 0.168 0.729 -0.000 0.000 -0.000 3/38220 580.0 0.166 0.166 0.719 -0.000 0.000 -0.000 3/38220 590.0 0.164 0.164 0.710 -0.000 0.000 -0.000 3/38220 600.0 0.162 0.162 0.702 -0.000 0.000 -0.000 3/38220 610.0 0.160 0.160 0.693 -0.000 0.000 -0.000 3/38220 620.0 0.158 0.158 0.684 -0.000 0.000 -0.000 3/38220 630.0 0.156 0.156 0.676 -0.000 0.000 -0.000 3/38220 640.0 0.154 0.154 0.668 -0.000 0.000 -0.000 3/38220 650.0 0.152 0.152 0.660 -0.000 0.000 -0.000 3/38220 660.0 0.150 0.150 0.652 -0.000 0.000 -0.000 3/38220 670.0 0.149 0.149 0.645 -0.000 0.000 -0.000 3/38220 680.0 0.147 0.147 0.637 -0.000 0.000 -0.000 3/38220 690.0 0.145 0.145 0.630 -0.000 0.000 -0.000 3/38220 700.0 0.144 0.144 0.623 -0.000 0.000 -0.000 3/38220 710.0 0.142 0.142 0.616 -0.000 0.000 -0.000 3/38220 720.0 0.140 0.140 0.609 -0.000 0.000 -0.000 3/38220 730.0 0.139 0.139 0.602 -0.000 0.000 -0.000 3/38220 740.0 0.137 0.137 0.596 -0.000 0.000 -0.000 3/38220 750.0 0.136 0.136 0.589 -0.000 0.000 -0.000 3/38220 760.0 0.134 0.134 0.583 -0.000 0.000 -0.000 3/38220 770.0 0.133 0.133 0.576 -0.000 0.000 -0.000 3/38220 780.0 0.131 0.131 0.570 -0.000 0.000 -0.000 3/38220 790.0 0.130 0.130 0.564 -0.000 0.000 -0.000 3/38220 800.0 0.129 0.129 0.559 -0.000 0.000 -0.000 3/38220 810.0 0.127 0.127 0.553 -0.000 0.000 -0.000 3/38220 820.0 0.126 0.126 0.547 -0.000 0.000 -0.000 3/38220 830.0 0.125 0.125 0.542 -0.000 0.000 -0.000 3/38220 840.0 0.123 0.123 0.536 -0.000 0.000 -0.000 3/38220 850.0 0.122 0.122 0.531 -0.000 0.000 -0.000 3/38220 860.0 0.121 0.121 0.526 -0.000 0.000 -0.000 3/38220 870.0 0.120 0.120 0.520 -0.000 0.000 -0.000 3/38220 880.0 0.119 0.119 0.515 -0.000 0.000 -0.000 3/38220 890.0 0.117 0.117 0.510 -0.000 0.000 -0.000 3/38220 900.0 0.116 0.116 0.506 -0.000 0.000 -0.000 3/38220 910.0 0.115 0.115 0.501 -0.000 0.000 -0.000 3/38220 920.0 0.114 0.114 0.496 -0.000 0.000 -0.000 3/38220 930.0 0.113 0.113 0.491 -0.000 0.000 -0.000 3/38220 940.0 0.112 0.112 0.487 -0.000 0.000 -0.000 3/38220 950.0 0.111 0.111 0.482 -0.000 0.000 -0.000 3/38220 960.0 0.110 0.110 0.478 -0.000 0.000 -0.000 3/38220 970.0 0.109 0.109 0.474 -0.000 0.000 -0.000 3/38220 980.0 0.108 0.108 0.469 -0.000 0.000 -0.000 3/38220 990.0 0.107 0.107 0.465 -0.000 0.000 -0.000 3/38220 1000.0 0.106 0.106 0.461 -0.000 0.000 -0.000 3/38220 Thermal conductivity related properties were written into "kappa-m7713.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:31:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|