----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:28:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.814352569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.641129330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.231959860000000 Atomic positions (fractional): *1 O 0.69333529821303 0.94463074694008 0.82195442336999 15.999 2 O 0.80666470178697 0.05536925305992 0.32195442336999 15.999 3 O 0.19333529821303 0.55536925305992 0.67804557663001 15.999 4 O 0.30666470178697 0.44463074694008 0.17804557663001 15.999 5 O 0.30666470178697 0.05536925305992 0.17804557663001 15.999 6 O 0.19333529821303 0.94463074694008 0.67804557663001 15.999 7 O 0.80666470178697 0.44463074694008 0.32195442336999 15.999 8 O 0.69333529821303 0.55536925305992 0.82195442336999 15.999 *9 O 0.54030164018501 0.75000000000000 0.37975276305374 15.999 10 O 0.95969835981499 0.25000000000000 0.87975276305373 15.999 11 O 0.04030164018501 0.75000000000000 0.12024723694627 15.999 12 O 0.45969835981499 0.25000000000000 0.62024723694627 15.999 *13 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 14 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 15 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 16 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 *17 Sm 0.08373562395595 0.25000000000000 0.46913475563180 150.360 18 Sm 0.41626437604405 0.75000000000000 0.96913475563180 150.360 19 Sm 0.58373562395595 0.25000000000000 0.03086524436820 150.360 20 Sm 0.91626437604405 0.75000000000000 0.53086524436820 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.814352569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.641129330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.231959860000000 Atomic positions (fractional): *1 O 0.69333529821303 0.94463074694008 0.82195442336999 15.999 > 1 2 O 0.80666470178697 0.05536925305992 0.32195442336999 15.999 > 2 3 O 0.19333529821303 0.55536925305992 0.67804557663001 15.999 > 3 4 O 0.30666470178697 0.44463074694008 0.17804557663001 15.999 > 4 5 O 0.30666470178697 0.05536925305992 0.17804557663001 15.999 > 5 6 O 0.19333529821303 0.94463074694008 0.67804557663001 15.999 > 6 7 O 0.80666470178697 0.44463074694008 0.32195442336999 15.999 > 7 8 O 0.69333529821303 0.55536925305992 0.82195442336999 15.999 > 8 *9 O 0.54030164018501 0.75000000000000 0.37975276305374 15.999 > 9 10 O 0.95969835981499 0.25000000000000 0.87975276305373 15.999 > 10 11 O 0.04030164018501 0.75000000000000 0.12024723694627 15.999 > 11 12 O 0.45969835981499 0.25000000000000 0.62024723694627 15.999 > 12 *13 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 13 14 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 14 15 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 15 16 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 16 *17 Sm 0.08373562395595 0.25000000000000 0.46913475563180 150.360 > 17 18 Sm 0.41626437604405 0.75000000000000 0.96913475563180 150.360 > 18 19 Sm 0.58373562395595 0.25000000000000 0.03086524436820 150.360 > 19 20 Sm 0.91626437604405 0.75000000000000 0.53086524436820 150.360 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.628705139999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.641129330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.463919720000000 Atomic positions (fractional): *1 O 0.34666764910652 0.94463074694008 0.41097721168499 15.999 > 1 2 O 0.84666764910652 0.94463074694008 0.41097721168499 15.999 > 1 3 O 0.34666764910652 0.94463074694008 0.91097721168499 15.999 > 1 4 O 0.84666764910652 0.94463074694008 0.91097721168499 15.999 > 1 5 O 0.40333235089348 0.05536925305992 0.16097721168499 15.999 > 2 6 O 0.90333235089348 0.05536925305992 0.16097721168499 15.999 > 2 7 O 0.40333235089348 0.05536925305992 0.66097721168499 15.999 > 2 8 O 0.90333235089348 0.05536925305992 0.66097721168499 15.999 > 2 9 O 0.09666764910652 0.55536925305992 0.33902278831501 15.999 > 3 10 O 0.59666764910652 0.55536925305992 0.33902278831501 15.999 > 3 11 O 0.09666764910652 0.55536925305992 0.83902278831501 15.999 > 3 12 O 0.59666764910652 0.55536925305992 0.83902278831501 15.999 > 3 13 O 0.15333235089348 0.44463074694008 0.08902278831501 15.999 > 4 14 O 0.65333235089348 0.44463074694008 0.08902278831501 15.999 > 4 15 O 0.15333235089348 0.44463074694008 0.58902278831501 15.999 > 4 16 O 0.65333235089348 0.44463074694008 0.58902278831501 15.999 > 4 17 O 0.15333235089348 0.05536925305992 0.08902278831501 15.999 > 5 18 O 0.65333235089348 0.05536925305992 0.08902278831501 15.999 > 5 19 O 0.15333235089348 0.05536925305992 0.58902278831501 15.999 > 5 20 O 0.65333235089348 0.05536925305992 0.58902278831501 15.999 > 5 21 O 0.09666764910652 0.94463074694008 0.33902278831501 15.999 > 6 22 O 0.59666764910652 0.94463074694008 0.33902278831501 15.999 > 6 23 O 0.09666764910652 0.94463074694008 0.83902278831501 15.999 > 6 24 O 0.59666764910652 0.94463074694008 0.83902278831501 15.999 > 6 25 O 0.40333235089348 0.44463074694008 0.16097721168499 15.999 > 7 26 O 0.90333235089348 0.44463074694008 0.16097721168499 15.999 > 7 27 O 0.40333235089348 0.44463074694008 0.66097721168499 15.999 > 7 28 O 0.90333235089348 0.44463074694008 0.66097721168499 15.999 > 7 29 O 0.34666764910652 0.55536925305992 0.41097721168499 15.999 > 8 30 O 0.84666764910652 0.55536925305992 0.41097721168499 15.999 > 8 31 O 0.34666764910652 0.55536925305992 0.91097721168499 15.999 > 8 32 O 0.84666764910652 0.55536925305992 0.91097721168499 15.999 > 8 *33 O 0.27015082009250 0.75000000000000 0.18987638152687 15.999 > 9 34 O 0.77015082009250 0.75000000000000 0.18987638152687 15.999 > 9 35 O 0.27015082009250 0.75000000000000 0.68987638152687 15.999 > 9 36 O 0.77015082009250 0.75000000000000 0.68987638152687 15.999 > 9 37 O 0.47984917990750 0.25000000000000 0.43987638152687 15.999 > 10 38 O 0.97984917990750 0.25000000000000 0.43987638152687 15.999 > 10 39 O 0.47984917990750 0.25000000000000 0.93987638152687 15.999 > 10 40 O 0.97984917990750 0.25000000000000 0.93987638152687 15.999 > 10 41 O 0.02015082009250 0.75000000000000 0.06012361847313 15.999 > 11 42 O 0.52015082009250 0.75000000000000 0.06012361847313 15.999 > 11 43 O 0.02015082009250 0.75000000000000 0.56012361847313 15.999 > 11 44 O 0.52015082009250 0.75000000000000 0.56012361847313 15.999 > 11 45 O 0.22984917990750 0.25000000000000 0.31012361847313 15.999 > 12 46 O 0.72984917990750 0.25000000000000 0.31012361847313 15.999 > 12 47 O 0.22984917990750 0.25000000000000 0.81012361847313 15.999 > 12 48 O 0.72984917990750 0.25000000000000 0.81012361847313 15.999 > 12 *49 Rh 0.25000000000000 0.00000000000000 0.25000000000000 102.906 > 13 50 Rh 0.75000000000000 0.00000000000000 0.25000000000000 102.906 > 13 51 Rh 0.25000000000000 0.00000000000000 0.75000000000000 102.906 > 13 52 Rh 0.75000000000000 0.00000000000000 0.75000000000000 102.906 > 13 53 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 14 54 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 14 55 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 14 56 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 14 57 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 15 58 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 15 59 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 15 60 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 15 61 Rh 0.25000000000000 0.50000000000000 0.25000000000000 102.906 > 16 62 Rh 0.75000000000000 0.50000000000000 0.25000000000000 102.906 > 16 63 Rh 0.25000000000000 0.50000000000000 0.75000000000000 102.906 > 16 64 Rh 0.75000000000000 0.50000000000000 0.75000000000000 102.906 > 16 *65 Sm 0.04186781197798 0.25000000000000 0.23456737781590 150.360 > 17 66 Sm 0.54186781197798 0.25000000000000 0.23456737781590 150.360 > 17 67 Sm 0.04186781197798 0.25000000000000 0.73456737781590 150.360 > 17 68 Sm 0.54186781197798 0.25000000000000 0.73456737781590 150.360 > 17 69 Sm 0.20813218802202 0.75000000000000 0.48456737781590 150.360 > 18 70 Sm 0.70813218802202 0.75000000000000 0.48456737781590 150.360 > 18 71 Sm 0.20813218802202 0.75000000000000 0.98456737781590 150.360 > 18 72 Sm 0.70813218802202 0.75000000000000 0.98456737781590 150.360 > 18 73 Sm 0.29186781197798 0.25000000000000 0.01543262218410 150.360 > 19 74 Sm 0.79186781197798 0.25000000000000 0.01543262218410 150.360 > 19 75 Sm 0.29186781197798 0.25000000000000 0.51543262218410 150.360 > 19 76 Sm 0.79186781197798 0.25000000000000 0.51543262218410 150.360 > 19 77 Sm 0.45813218802202 0.75000000000000 0.26543262218410 150.360 > 20 78 Sm 0.95813218802202 0.75000000000000 0.26543262218410 150.360 > 20 79 Sm 0.45813218802202 0.75000000000000 0.76543262218410 150.360 > 20 80 Sm 0.95813218802202 0.75000000000000 0.76543262218410 150.360 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.5169751 0.0000000 0.0000000 0.0000000 11.0050781 0.0000000 0.0000000 0.0000000 11.9051837 -------------------------- Born effective charges -------------------------- 1 O -2.3394899 -0.0345789 -0.7249556 0.0409024 -1.4226642 -0.2123369 -0.8744452 -0.3497622 -1.9147543 2 O -2.3394899 -0.0345789 0.7249556 0.0409024 -1.4226642 0.2123369 0.8744452 0.3497622 -1.9147543 3 O -2.3394899 0.0345789 0.7249556 -0.0409024 -1.4226642 -0.2123369 0.8744452 -0.3497622 -1.9147543 4 O -2.3394899 0.0345789 -0.7249556 -0.0409024 -1.4226642 0.2123369 -0.8744452 0.3497622 -1.9147543 5 O -2.3394899 -0.0345789 -0.7249556 0.0409024 -1.4226642 -0.2123369 -0.8744452 -0.3497622 -1.9147543 6 O -2.3394899 -0.0345789 0.7249556 0.0409024 -1.4226642 0.2123369 0.8744452 0.3497622 -1.9147543 7 O -2.3394899 0.0345789 0.7249556 -0.0409024 -1.4226642 -0.2123369 0.8744452 -0.3497622 -1.9147543 8 O -2.3394899 0.0345789 -0.7249556 -0.0409024 -1.4226642 0.2123369 -0.8744452 0.3497622 -1.9147543 9 O -1.2167936 0.0000000 -0.6298068 0.0000000 -2.9041846 0.0000000 -0.7594520 0.0000000 -1.4013480 10 O -1.2167936 0.0000000 0.6298068 0.0000000 -2.9041846 0.0000000 0.7594520 0.0000000 -1.4013480 11 O -1.2167936 0.0000000 0.6298068 0.0000000 -2.9041846 0.0000000 0.7594520 0.0000000 -1.4013480 12 O -1.2167936 0.0000000 -0.6298068 0.0000000 -2.9041846 0.0000000 -0.7594520 0.0000000 -1.4013480 13 Rh 1.6256942 -0.2857188 1.0325351 -0.7303170 1.6592270 0.9978929 -0.3003762 -0.6900069 0.8217445 14 Rh 1.6256942 -0.2857188 -1.0325351 -0.7303170 1.6592270 -0.9978929 0.3003762 0.6900069 0.8217445 15 Rh 1.6256942 0.2857188 -1.0325351 0.7303170 1.6592270 0.9978929 0.3003762 -0.6900069 0.8217445 16 Rh 1.6256942 0.2857188 1.0325351 0.7303170 1.6592270 -0.9978929 -0.3003762 0.6900069 0.8217445 17 Sm 4.2700792 0.0000000 0.0416986 0.0000000 4.0902860 0.0000000 0.3132480 0.0000000 4.4091122 18 Sm 4.2700792 0.0000000 -0.0416986 0.0000000 4.0902860 0.0000000 -0.3132480 0.0000000 4.4091122 19 Sm 4.2700792 0.0000000 -0.0416986 0.0000000 4.0902860 0.0000000 -0.3132480 0.0000000 4.4091122 20 Sm 4.2700792 0.0000000 0.0416986 0.0000000 4.0902860 0.0000000 0.3132480 0.0000000 4.4091122 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.714 Solver_block: 200 / 320 - Time: 0.723 Solver_block: 300 / 320 - Time: 0.724 Solver_block: 320 / 320 - Time: 0.183 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.361 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:28:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:28:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.814352569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.641129330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.231959860000000 Atomic positions (fractional): 1 O 0.69333529821303 0.94463074694008 0.82195442336999 15.999 2 O 0.80666470178697 0.05536925305992 0.32195442336999 15.999 3 O 0.19333529821303 0.55536925305992 0.67804557663001 15.999 4 O 0.30666470178697 0.44463074694008 0.17804557663001 15.999 5 O 0.30666470178697 0.05536925305992 0.17804557663001 15.999 6 O 0.19333529821303 0.94463074694008 0.67804557663001 15.999 7 O 0.80666470178697 0.44463074694008 0.32195442336999 15.999 8 O 0.69333529821303 0.55536925305992 0.82195442336999 15.999 9 O 0.54030164018501 0.75000000000000 0.37975276305374 15.999 10 O 0.95969835981499 0.25000000000000 0.87975276305373 15.999 11 O 0.04030164018501 0.75000000000000 0.12024723694627 15.999 12 O 0.45969835981499 0.25000000000000 0.62024723694627 15.999 13 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 14 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 15 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 16 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 17 Sm 0.08373562395595 0.25000000000000 0.46913475563180 150.360 18 Sm 0.41626437604405 0.75000000000000 0.96913475563180 150.360 19 Sm 0.58373562395595 0.25000000000000 0.03086524436820 150.360 20 Sm 0.91626437604405 0.75000000000000 0.53086524436820 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.628705139999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.641129330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.463919720000000 Atomic positions (fractional): 1 O 0.34666764910652 0.94463074694008 0.41097721168499 15.999 > 1 2 O 0.84666764910652 0.94463074694008 0.41097721168499 15.999 > 1 3 O 0.34666764910652 0.94463074694008 0.91097721168499 15.999 > 1 4 O 0.84666764910652 0.94463074694008 0.91097721168499 15.999 > 1 5 O 0.40333235089348 0.05536925305992 0.16097721168499 15.999 > 5 6 O 0.90333235089348 0.05536925305992 0.16097721168499 15.999 > 5 7 O 0.40333235089348 0.05536925305992 0.66097721168499 15.999 > 5 8 O 0.90333235089348 0.05536925305992 0.66097721168499 15.999 > 5 9 O 0.09666764910652 0.55536925305992 0.33902278831501 15.999 > 9 10 O 0.59666764910652 0.55536925305992 0.33902278831501 15.999 > 9 11 O 0.09666764910652 0.55536925305992 0.83902278831501 15.999 > 9 12 O 0.59666764910652 0.55536925305992 0.83902278831501 15.999 > 9 13 O 0.15333235089348 0.44463074694008 0.08902278831501 15.999 > 13 14 O 0.65333235089348 0.44463074694008 0.08902278831501 15.999 > 13 15 O 0.15333235089348 0.44463074694008 0.58902278831501 15.999 > 13 16 O 0.65333235089348 0.44463074694008 0.58902278831501 15.999 > 13 17 O 0.15333235089348 0.05536925305992 0.08902278831501 15.999 > 17 18 O 0.65333235089348 0.05536925305992 0.08902278831501 15.999 > 17 19 O 0.15333235089348 0.05536925305992 0.58902278831501 15.999 > 17 20 O 0.65333235089348 0.05536925305992 0.58902278831501 15.999 > 17 21 O 0.09666764910652 0.94463074694008 0.33902278831501 15.999 > 21 22 O 0.59666764910652 0.94463074694008 0.33902278831501 15.999 > 21 23 O 0.09666764910652 0.94463074694008 0.83902278831501 15.999 > 21 24 O 0.59666764910652 0.94463074694008 0.83902278831501 15.999 > 21 25 O 0.40333235089348 0.44463074694008 0.16097721168499 15.999 > 25 26 O 0.90333235089348 0.44463074694008 0.16097721168499 15.999 > 25 27 O 0.40333235089348 0.44463074694008 0.66097721168499 15.999 > 25 28 O 0.90333235089348 0.44463074694008 0.66097721168499 15.999 > 25 29 O 0.34666764910652 0.55536925305992 0.41097721168499 15.999 > 29 30 O 0.84666764910652 0.55536925305992 0.41097721168499 15.999 > 29 31 O 0.34666764910652 0.55536925305992 0.91097721168499 15.999 > 29 32 O 0.84666764910652 0.55536925305992 0.91097721168499 15.999 > 29 33 O 0.27015082009250 0.75000000000000 0.18987638152687 15.999 > 33 34 O 0.77015082009250 0.75000000000000 0.18987638152687 15.999 > 33 35 O 0.27015082009250 0.75000000000000 0.68987638152687 15.999 > 33 36 O 0.77015082009250 0.75000000000000 0.68987638152687 15.999 > 33 37 O 0.47984917990750 0.25000000000000 0.43987638152687 15.999 > 37 38 O 0.97984917990750 0.25000000000000 0.43987638152687 15.999 > 37 39 O 0.47984917990750 0.25000000000000 0.93987638152687 15.999 > 37 40 O 0.97984917990750 0.25000000000000 0.93987638152687 15.999 > 37 41 O 0.02015082009250 0.75000000000000 0.06012361847313 15.999 > 41 42 O 0.52015082009250 0.75000000000000 0.06012361847313 15.999 > 41 43 O 0.02015082009250 0.75000000000000 0.56012361847313 15.999 > 41 44 O 0.52015082009250 0.75000000000000 0.56012361847313 15.999 > 41 45 O 0.22984917990750 0.25000000000000 0.31012361847313 15.999 > 45 46 O 0.72984917990750 0.25000000000000 0.31012361847313 15.999 > 45 47 O 0.22984917990750 0.25000000000000 0.81012361847313 15.999 > 45 48 O 0.72984917990750 0.25000000000000 0.81012361847313 15.999 > 45 49 Rh 0.25000000000000 0.00000000000000 0.25000000000000 102.906 > 49 50 Rh 0.75000000000000 0.00000000000000 0.25000000000000 102.906 > 49 51 Rh 0.25000000000000 0.00000000000000 0.75000000000000 102.906 > 49 52 Rh 0.75000000000000 0.00000000000000 0.75000000000000 102.906 > 49 53 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 53 54 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 53 55 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 53 56 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 53 57 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 57 58 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 57 59 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 57 60 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 57 61 Rh 0.25000000000000 0.50000000000000 0.25000000000000 102.906 > 61 62 Rh 0.75000000000000 0.50000000000000 0.25000000000000 102.906 > 61 63 Rh 0.25000000000000 0.50000000000000 0.75000000000000 102.906 > 61 64 Rh 0.75000000000000 0.50000000000000 0.75000000000000 102.906 > 61 65 Sm 0.04186781197798 0.25000000000000 0.23456737781590 150.360 > 65 66 Sm 0.54186781197798 0.25000000000000 0.23456737781590 150.360 > 65 67 Sm 0.04186781197798 0.25000000000000 0.73456737781590 150.360 > 65 68 Sm 0.54186781197798 0.25000000000000 0.73456737781590 150.360 > 65 69 Sm 0.20813218802202 0.75000000000000 0.48456737781590 150.360 > 69 70 Sm 0.70813218802202 0.75000000000000 0.48456737781590 150.360 > 69 71 Sm 0.20813218802202 0.75000000000000 0.98456737781590 150.360 > 69 72 Sm 0.70813218802202 0.75000000000000 0.98456737781590 150.360 > 69 73 Sm 0.29186781197798 0.25000000000000 0.01543262218410 150.360 > 73 74 Sm 0.79186781197798 0.25000000000000 0.01543262218410 150.360 > 73 75 Sm 0.29186781197798 0.25000000000000 0.51543262218410 150.360 > 73 76 Sm 0.79186781197798 0.25000000000000 0.51543262218410 150.360 > 73 77 Sm 0.45813218802202 0.75000000000000 0.26543262218410 150.360 > 77 78 Sm 0.95813218802202 0.75000000000000 0.26543262218410 150.360 > 77 79 Sm 0.45813218802202 0.75000000000000 0.76543262218410 150.360 > 77 80 Sm 0.95813218802202 0.75000000000000 0.76543262218410 150.360 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.5169751 0.0000000 0.0000000 0.0000000 11.0050781 0.0000000 0.0000000 0.0000000 11.9051837 -------------------------- Born effective charges -------------------------- 1 O -2.3394899 -0.0345789 -0.7249556 0.0409024 -1.4226642 -0.2123369 -0.8744452 -0.3497622 -1.9147543 2 O -2.3394899 -0.0345789 0.7249556 0.0409024 -1.4226642 0.2123369 0.8744452 0.3497622 -1.9147543 3 O -2.3394899 0.0345789 0.7249556 -0.0409024 -1.4226642 -0.2123369 0.8744452 -0.3497622 -1.9147543 4 O -2.3394899 0.0345789 -0.7249556 -0.0409024 -1.4226642 0.2123369 -0.8744452 0.3497622 -1.9147543 5 O -2.3394899 -0.0345789 -0.7249556 0.0409024 -1.4226642 -0.2123369 -0.8744452 -0.3497622 -1.9147543 6 O -2.3394899 -0.0345789 0.7249556 0.0409024 -1.4226642 0.2123369 0.8744452 0.3497622 -1.9147543 7 O -2.3394899 0.0345789 0.7249556 -0.0409024 -1.4226642 -0.2123369 0.8744452 -0.3497622 -1.9147543 8 O -2.3394899 0.0345789 -0.7249556 -0.0409024 -1.4226642 0.2123369 -0.8744452 0.3497622 -1.9147543 9 O -1.2167936 0.0000000 -0.6298068 0.0000000 -2.9041846 0.0000000 -0.7594520 0.0000000 -1.4013480 10 O -1.2167936 0.0000000 0.6298068 0.0000000 -2.9041846 0.0000000 0.7594520 0.0000000 -1.4013480 11 O -1.2167936 0.0000000 0.6298068 0.0000000 -2.9041846 0.0000000 0.7594520 0.0000000 -1.4013480 12 O -1.2167936 0.0000000 -0.6298068 0.0000000 -2.9041846 0.0000000 -0.7594520 0.0000000 -1.4013480 13 Rh 1.6256942 -0.2857188 1.0325351 -0.7303170 1.6592270 0.9978929 -0.3003762 -0.6900069 0.8217445 14 Rh 1.6256942 -0.2857188 -1.0325351 -0.7303170 1.6592270 -0.9978929 0.3003762 0.6900069 0.8217445 15 Rh 1.6256942 0.2857188 -1.0325351 0.7303170 1.6592270 0.9978929 0.3003762 -0.6900069 0.8217445 16 Rh 1.6256942 0.2857188 1.0325351 0.7303170 1.6592270 -0.9978929 -0.3003762 0.6900069 0.8217445 17 Sm 4.2700792 0.0000000 0.0416986 0.0000000 4.0902860 0.0000000 0.3132480 0.0000000 4.4091122 18 Sm 4.2700792 0.0000000 -0.0416986 0.0000000 4.0902860 0.0000000 -0.3132480 0.0000000 4.4091122 19 Sm 4.2700792 0.0000000 -0.0416986 0.0000000 4.0902860 0.0000000 -0.3132480 0.0000000 4.4091122 20 Sm 4.2700792 0.0000000 0.0416986 0.0000000 4.0902860 0.0000000 0.3132480 0.0000000 4.4091122 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (yxy) 0.00000005 (yxy) 0.00000005 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xz) -0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:28:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:28:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.814352569999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.641129330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.231959860000000 Atomic positions (fractional): 1 O 0.69333529821303 0.94463074694008 0.82195442336999 15.999 2 O 0.80666470178697 0.05536925305992 0.32195442336999 15.999 3 O 0.19333529821303 0.55536925305992 0.67804557663001 15.999 4 O 0.30666470178697 0.44463074694008 0.17804557663001 15.999 5 O 0.30666470178697 0.05536925305992 0.17804557663001 15.999 6 O 0.19333529821303 0.94463074694008 0.67804557663001 15.999 7 O 0.80666470178697 0.44463074694008 0.32195442336999 15.999 8 O 0.69333529821303 0.55536925305992 0.82195442336999 15.999 9 O 0.54030164018501 0.75000000000000 0.37975276305374 15.999 10 O 0.95969835981499 0.25000000000000 0.87975276305373 15.999 11 O 0.04030164018501 0.75000000000000 0.12024723694627 15.999 12 O 0.45969835981499 0.25000000000000 0.62024723694627 15.999 13 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 14 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 15 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 16 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 17 Sm 0.08373562395595 0.25000000000000 0.46913475563180 150.360 18 Sm 0.41626437604405 0.75000000000000 0.96913475563180 150.360 19 Sm 0.58373562395595 0.25000000000000 0.03086524436820 150.360 20 Sm 0.91626437604405 0.75000000000000 0.53086524436820 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.628705139999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.641129330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.463919720000000 Atomic positions (fractional): 1 O 0.34666764910652 0.94463074694008 0.41097721168499 15.999 > 1 2 O 0.84666764910652 0.94463074694008 0.41097721168499 15.999 > 1 3 O 0.34666764910652 0.94463074694008 0.91097721168499 15.999 > 1 4 O 0.84666764910652 0.94463074694008 0.91097721168499 15.999 > 1 5 O 0.40333235089348 0.05536925305992 0.16097721168499 15.999 > 5 6 O 0.90333235089348 0.05536925305992 0.16097721168499 15.999 > 5 7 O 0.40333235089348 0.05536925305992 0.66097721168499 15.999 > 5 8 O 0.90333235089348 0.05536925305992 0.66097721168499 15.999 > 5 9 O 0.09666764910652 0.55536925305992 0.33902278831501 15.999 > 9 10 O 0.59666764910652 0.55536925305992 0.33902278831501 15.999 > 9 11 O 0.09666764910652 0.55536925305992 0.83902278831501 15.999 > 9 12 O 0.59666764910652 0.55536925305992 0.83902278831501 15.999 > 9 13 O 0.15333235089348 0.44463074694008 0.08902278831501 15.999 > 13 14 O 0.65333235089348 0.44463074694008 0.08902278831501 15.999 > 13 15 O 0.15333235089348 0.44463074694008 0.58902278831501 15.999 > 13 16 O 0.65333235089348 0.44463074694008 0.58902278831501 15.999 > 13 17 O 0.15333235089348 0.05536925305992 0.08902278831501 15.999 > 17 18 O 0.65333235089348 0.05536925305992 0.08902278831501 15.999 > 17 19 O 0.15333235089348 0.05536925305992 0.58902278831501 15.999 > 17 20 O 0.65333235089348 0.05536925305992 0.58902278831501 15.999 > 17 21 O 0.09666764910652 0.94463074694008 0.33902278831501 15.999 > 21 22 O 0.59666764910652 0.94463074694008 0.33902278831501 15.999 > 21 23 O 0.09666764910652 0.94463074694008 0.83902278831501 15.999 > 21 24 O 0.59666764910652 0.94463074694008 0.83902278831501 15.999 > 21 25 O 0.40333235089348 0.44463074694008 0.16097721168499 15.999 > 25 26 O 0.90333235089348 0.44463074694008 0.16097721168499 15.999 > 25 27 O 0.40333235089348 0.44463074694008 0.66097721168499 15.999 > 25 28 O 0.90333235089348 0.44463074694008 0.66097721168499 15.999 > 25 29 O 0.34666764910652 0.55536925305992 0.41097721168499 15.999 > 29 30 O 0.84666764910652 0.55536925305992 0.41097721168499 15.999 > 29 31 O 0.34666764910652 0.55536925305992 0.91097721168499 15.999 > 29 32 O 0.84666764910652 0.55536925305992 0.91097721168499 15.999 > 29 33 O 0.27015082009250 0.75000000000000 0.18987638152687 15.999 > 33 34 O 0.77015082009250 0.75000000000000 0.18987638152687 15.999 > 33 35 O 0.27015082009250 0.75000000000000 0.68987638152687 15.999 > 33 36 O 0.77015082009250 0.75000000000000 0.68987638152687 15.999 > 33 37 O 0.47984917990750 0.25000000000000 0.43987638152687 15.999 > 37 38 O 0.97984917990750 0.25000000000000 0.43987638152687 15.999 > 37 39 O 0.47984917990750 0.25000000000000 0.93987638152687 15.999 > 37 40 O 0.97984917990750 0.25000000000000 0.93987638152687 15.999 > 37 41 O 0.02015082009250 0.75000000000000 0.06012361847313 15.999 > 41 42 O 0.52015082009250 0.75000000000000 0.06012361847313 15.999 > 41 43 O 0.02015082009250 0.75000000000000 0.56012361847313 15.999 > 41 44 O 0.52015082009250 0.75000000000000 0.56012361847313 15.999 > 41 45 O 0.22984917990750 0.25000000000000 0.31012361847313 15.999 > 45 46 O 0.72984917990750 0.25000000000000 0.31012361847313 15.999 > 45 47 O 0.22984917990750 0.25000000000000 0.81012361847313 15.999 > 45 48 O 0.72984917990750 0.25000000000000 0.81012361847313 15.999 > 45 49 Rh 0.25000000000000 0.00000000000000 0.25000000000000 102.906 > 49 50 Rh 0.75000000000000 0.00000000000000 0.25000000000000 102.906 > 49 51 Rh 0.25000000000000 0.00000000000000 0.75000000000000 102.906 > 49 52 Rh 0.75000000000000 0.00000000000000 0.75000000000000 102.906 > 49 53 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 53 54 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 53 55 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 53 56 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 53 57 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 57 58 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 57 59 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 57 60 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 57 61 Rh 0.25000000000000 0.50000000000000 0.25000000000000 102.906 > 61 62 Rh 0.75000000000000 0.50000000000000 0.25000000000000 102.906 > 61 63 Rh 0.25000000000000 0.50000000000000 0.75000000000000 102.906 > 61 64 Rh 0.75000000000000 0.50000000000000 0.75000000000000 102.906 > 61 65 Sm 0.04186781197798 0.25000000000000 0.23456737781590 150.360 > 65 66 Sm 0.54186781197798 0.25000000000000 0.23456737781590 150.360 > 65 67 Sm 0.04186781197798 0.25000000000000 0.73456737781590 150.360 > 65 68 Sm 0.54186781197798 0.25000000000000 0.73456737781590 150.360 > 65 69 Sm 0.20813218802202 0.75000000000000 0.48456737781590 150.360 > 69 70 Sm 0.70813218802202 0.75000000000000 0.48456737781590 150.360 > 69 71 Sm 0.20813218802202 0.75000000000000 0.98456737781590 150.360 > 69 72 Sm 0.70813218802202 0.75000000000000 0.98456737781590 150.360 > 69 73 Sm 0.29186781197798 0.25000000000000 0.01543262218410 150.360 > 73 74 Sm 0.79186781197798 0.25000000000000 0.01543262218410 150.360 > 73 75 Sm 0.29186781197798 0.25000000000000 0.51543262218410 150.360 > 73 76 Sm 0.79186781197798 0.25000000000000 0.51543262218410 150.360 > 73 77 Sm 0.45813218802202 0.75000000000000 0.26543262218410 150.360 > 77 78 Sm 0.95813218802202 0.75000000000000 0.26543262218410 150.360 > 77 79 Sm 0.45813218802202 0.75000000000000 0.76543262218410 150.360 > 77 80 Sm 0.95813218802202 0.75000000000000 0.76543262218410 150.360 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.5169751 0.0000000 0.0000000 0.0000000 11.0050781 0.0000000 0.0000000 0.0000000 11.9051837 -------------------------- Born effective charges -------------------------- 1 O -2.3394899 -0.0345789 -0.7249556 0.0409024 -1.4226642 -0.2123369 -0.8744452 -0.3497622 -1.9147543 2 O -2.3394899 -0.0345789 0.7249556 0.0409024 -1.4226642 0.2123369 0.8744452 0.3497622 -1.9147543 3 O -2.3394899 0.0345789 0.7249556 -0.0409024 -1.4226642 -0.2123369 0.8744452 -0.3497622 -1.9147543 4 O -2.3394899 0.0345789 -0.7249556 -0.0409024 -1.4226642 0.2123369 -0.8744452 0.3497622 -1.9147543 5 O -2.3394899 -0.0345789 -0.7249556 0.0409024 -1.4226642 -0.2123369 -0.8744452 -0.3497622 -1.9147543 6 O -2.3394899 -0.0345789 0.7249556 0.0409024 -1.4226642 0.2123369 0.8744452 0.3497622 -1.9147543 7 O -2.3394899 0.0345789 0.7249556 -0.0409024 -1.4226642 -0.2123369 0.8744452 -0.3497622 -1.9147543 8 O -2.3394899 0.0345789 -0.7249556 -0.0409024 -1.4226642 0.2123369 -0.8744452 0.3497622 -1.9147543 9 O -1.2167936 0.0000000 -0.6298068 0.0000000 -2.9041846 0.0000000 -0.7594520 0.0000000 -1.4013480 10 O -1.2167936 0.0000000 0.6298068 0.0000000 -2.9041846 0.0000000 0.7594520 0.0000000 -1.4013480 11 O -1.2167936 0.0000000 0.6298068 0.0000000 -2.9041846 0.0000000 0.7594520 0.0000000 -1.4013480 12 O -1.2167936 0.0000000 -0.6298068 0.0000000 -2.9041846 0.0000000 -0.7594520 0.0000000 -1.4013480 13 Rh 1.6256942 -0.2857188 1.0325351 -0.7303170 1.6592270 0.9978929 -0.3003762 -0.6900069 0.8217445 14 Rh 1.6256942 -0.2857188 -1.0325351 -0.7303170 1.6592270 -0.9978929 0.3003762 0.6900069 0.8217445 15 Rh 1.6256942 0.2857188 -1.0325351 0.7303170 1.6592270 0.9978929 0.3003762 -0.6900069 0.8217445 16 Rh 1.6256942 0.2857188 1.0325351 0.7303170 1.6592270 -0.9978929 -0.3003762 0.6900069 0.8217445 17 Sm 4.2700792 0.0000000 0.0416986 0.0000000 4.0902860 0.0000000 0.3132480 0.0000000 4.4091122 18 Sm 4.2700792 0.0000000 -0.0416986 0.0000000 4.0902860 0.0000000 -0.3132480 0.0000000 4.4091122 19 Sm 4.2700792 0.0000000 -0.0416986 0.0000000 4.0902860 0.0000000 -0.3132480 0.0000000 4.4091122 20 Sm 4.2700792 0.0000000 0.0416986 0.0000000 4.0902860 0.0000000 0.3132480 0.0000000 4.4091122 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yxy) 0.00000005 (yxy) 0.00000005 (yyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 299, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.388 ( 0.000 0.000 0.000) 0.000 7.407 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.253 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.436 ( 0.000 0.000 0.000) 0.000 9.911 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 11.949 ( 0.000 0.000 0.000) 0.000 12.406 ( 0.000 0.000 0.000) 0.000 12.653 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 13.742 ( 0.000 0.000 0.000) 0.000 13.955 ( 0.000 0.000 0.000) 0.000 14.039 ( 0.000 0.000 0.000) 0.000 14.594 ( 0.000 0.000 0.000) 0.000 14.798 ( 0.000 0.000 0.000) 0.000 14.854 ( 0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 0.000) 0.000 15.377 ( 0.000 0.000 0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 15.847 ( 0.000 0.000 0.000) 0.000 16.042 ( 0.000 0.000 0.000) 0.000 16.459 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 0.000 0.000) 0.000 16.595 ( 0.000 0.000 0.000) 0.000 16.636 ( 0.000 0.000 0.000) 0.000 16.707 ( 0.000 0.000 0.000) 0.000 16.977 ( 0.000 0.000 0.000) 0.000 17.357 ( 0.000 0.000 0.000) 0.000 17.570 ( 0.000 0.000 0.000) 0.000 17.621 ( 0.000 0.000 0.000) 0.000 18.096 ( 0.000 0.000 0.000) 0.000 18.168 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 29.326 0.000 0.000) 29.326 0.700 ( 35.826 0.000 0.000) 35.826 1.187 ( 61.104 0.000 0.000) 61.104 2.372 ( 3.248 0.000 0.000) 3.248 3.033 ( 4.385 0.000 0.000) 4.385 3.065 ( -2.616 0.000 0.000) 2.616 3.486 ( 0.866 0.000 0.000) 0.866 3.910 ( -11.764 0.000 0.000) 11.764 3.953 ( -3.803 0.000 0.000) 3.803 3.962 ( 3.199 0.000 0.000) 3.199 4.117 ( 12.840 0.000 0.000) 12.840 4.298 ( -3.819 0.000 0.000) 3.819 4.611 ( 5.736 0.000 0.000) 5.736 4.629 ( 1.304 0.000 0.000) 1.304 4.750 ( -6.722 0.000 0.000) 6.722 4.868 ( 17.216 0.000 0.000) 17.216 5.074 ( -8.487 0.000 0.000) 8.487 5.448 ( -3.942 0.000 0.000) 3.942 6.846 ( 3.777 0.000 0.000) 3.777 6.944 ( -4.054 0.000 0.000) 4.054 7.250 ( -12.870 0.000 0.000) 12.870 7.280 ( -7.946 0.000 0.000) 7.946 7.327 ( -6.540 0.000 0.000) 6.540 7.374 ( -5.971 0.000 0.000) 5.971 7.635 ( -5.515 0.000 0.000) 5.515 7.888 ( -2.315 0.000 0.000) 2.315 7.932 ( 11.124 0.000 0.000) 11.124 7.972 ( -4.051 0.000 0.000) 4.051 8.085 ( 7.546 0.000 0.000) 7.546 8.162 ( -8.528 0.000 0.000) 8.528 9.288 ( 5.267 0.000 0.000) 5.267 9.511 ( -3.647 0.000 0.000) 3.647 9.985 ( 5.627 0.000 0.000) 5.627 11.164 ( -5.144 0.000 0.000) 5.144 12.124 ( -2.622 0.000 0.000) 2.622 12.412 ( 0.996 0.000 0.000) 0.996 12.695 ( -2.408 0.000 0.000) 2.408 12.894 ( 20.054 0.000 0.000) 20.054 13.773 ( 3.175 0.000 0.000) 3.175 13.987 ( 3.272 0.000 0.000) 3.272 14.040 ( 0.536 0.000 0.000) 0.536 14.597 ( 0.068 0.000 0.000) 0.068 14.687 ( -11.400 0.000 0.000) 11.400 15.191 ( -2.115 0.000 0.000) 2.115 15.240 ( -4.650 0.000 0.000) 4.650 15.399 ( 1.504 0.000 0.000) 1.504 15.790 ( -4.939 0.000 0.000) 4.939 15.819 ( 0.516 0.000 0.000) 0.516 16.058 ( 0.966 0.000 0.000) 0.966 16.406 ( -4.787 0.000 0.000) 4.787 16.512 ( 0.475 0.000 0.000) 0.475 16.599 ( -3.258 0.000 0.000) 3.258 16.618 ( 1.659 0.000 0.000) 1.659 16.699 ( -0.895 0.000 0.000) 0.895 17.010 ( 3.086 0.000 0.000) 3.086 17.570 ( 0.007 0.000 0.000) 0.007 17.614 ( -0.609 0.000 0.000) 0.609 18.099 ( 0.338 0.000 0.000) 0.338 18.160 ( -0.804 0.000 0.000) 0.804 18.173 ( -5.465 0.000 0.000) 5.465 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 29.987 0.000 0.000) 29.987 1.356 ( 32.548 0.000 0.000) 32.548 2.305 ( 54.263 0.000 0.000) 54.263 2.448 ( 4.308 0.000 0.000) 4.308 3.027 ( -0.394 0.000 0.000) 0.394 3.152 ( 7.915 0.000 0.000) 7.915 3.484 ( -1.265 0.000 0.000) 1.265 3.695 ( -10.198 0.000 0.000) 10.198 3.854 ( -6.291 0.000 0.000) 6.291 4.004 ( 0.066 0.000 0.000) 0.066 4.194 ( -6.895 0.000 0.000) 6.895 4.466 ( 22.779 0.000 0.000) 22.779 4.552 ( -6.959 0.000 0.000) 6.959 4.563 ( -12.226 0.000 0.000) 12.226 4.746 ( 0.347 0.000 0.000) 0.347 4.913 ( 0.853 0.000 0.000) 0.853 5.331 ( 27.769 0.000 0.000) 27.769 5.363 ( -3.833 0.000 0.000) 3.833 6.862 ( -3.767 0.000 0.000) 3.767 6.895 ( -3.660 0.000 0.000) 3.660 6.971 ( -16.190 0.000 0.000) 16.190 7.100 ( -6.138 0.000 0.000) 6.138 7.131 ( -14.291 0.000 0.000) 14.291 7.222 ( -9.226 0.000 0.000) 9.226 7.501 ( -8.664 0.000 0.000) 8.664 7.776 ( -10.839 0.000 0.000) 10.839 7.883 ( -4.518 0.000 0.000) 4.518 8.007 ( -5.230 0.000 0.000) 5.230 8.142 ( 10.190 0.000 0.000) 10.190 8.237 ( 7.583 0.000 0.000) 7.583 9.404 ( 6.129 0.000 0.000) 6.129 9.475 ( 0.074 0.000 0.000) 0.074 10.084 ( 4.835 0.000 0.000) 4.835 11.023 ( -9.462 0.000 0.000) 9.462 12.157 ( 5.732 0.000 0.000) 5.732 12.466 ( 5.306 0.000 0.000) 5.306 12.636 ( -3.464 0.000 0.000) 3.464 13.298 ( 20.434 0.000 0.000) 20.434 13.859 ( 5.395 0.000 0.000) 5.395 14.069 ( 4.959 0.000 0.000) 4.959 14.087 ( 5.415 0.000 0.000) 5.415 14.382 ( -19.661 0.000 0.000) 19.661 14.584 ( -1.716 0.000 0.000) 1.716 15.109 ( -7.099 0.000 0.000) 7.099 15.117 ( -7.884 0.000 0.000) 7.884 15.360 ( -7.309 0.000 0.000) 7.309 15.748 ( 2.805 0.000 0.000) 2.805 15.836 ( 1.354 0.000 0.000) 1.354 16.081 ( 1.388 0.000 0.000) 1.388 16.295 ( -6.599 0.000 0.000) 6.599 16.526 ( 1.021 0.000 0.000) 1.021 16.533 ( -3.249 0.000 0.000) 3.249 16.643 ( 0.805 0.000 0.000) 0.805 16.669 ( -2.360 0.000 0.000) 2.360 17.085 ( 4.760 0.000 0.000) 4.760 17.570 ( 0.032 0.000 0.000) 0.032 17.600 ( -0.802 0.000 0.000) 0.802 18.025 ( -9.815 0.000 0.000) 9.815 18.107 ( 0.438 0.000 0.000) 0.438 18.141 ( -1.057 0.000 0.000) 1.057 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 29.068 0.000 0.000) 29.068 1.937 ( 28.051 0.000 0.000) 28.051 2.519 ( 2.428 0.000 0.000) 2.428 2.908 ( 0.731 0.000 0.000) 0.731 3.312 ( 28.072 0.000 0.000) 28.072 3.323 ( 9.562 0.000 0.000) 9.562 3.482 ( 9.456 0.000 0.000) 9.456 3.529 ( -7.007 0.000 0.000) 7.007 3.710 ( -9.088 0.000 0.000) 9.088 3.944 ( -6.261 0.000 0.000) 6.261 4.043 ( -8.550 0.000 0.000) 8.550 4.318 ( -11.316 0.000 0.000) 11.316 4.397 ( -8.708 0.000 0.000) 8.708 4.543 ( -12.988 0.000 0.000) 12.988 4.964 ( 28.106 0.000 0.000) 28.106 5.213 ( 22.143 0.000 0.000) 22.143 5.359 ( 5.403 0.000 0.000) 5.403 5.857 ( 24.908 0.000 0.000) 24.908 6.609 ( -21.196 0.000 0.000) 21.196 6.638 ( -17.348 0.000 0.000) 17.348 6.761 ( -24.767 0.000 0.000) 24.767 6.817 ( -0.791 0.000 0.000) 0.791 7.049 ( -8.375 0.000 0.000) 8.375 7.139 ( 5.249 0.000 0.000) 5.249 7.290 ( -13.780 0.000 0.000) 13.780 7.534 ( -12.151 0.000 0.000) 12.151 7.824 ( -1.145 0.000 0.000) 1.145 7.948 ( -2.314 0.000 0.000) 2.314 8.307 ( 6.905 0.000 0.000) 6.905 8.359 ( 4.908 0.000 0.000) 4.908 9.503 ( 2.339 0.000 0.000) 2.339 9.504 ( 4.074 0.000 0.000) 4.074 10.189 ( 6.717 0.000 0.000) 6.717 10.813 ( -12.167 0.000 0.000) 12.167 12.300 ( 7.970 0.000 0.000) 7.970 12.571 ( -3.317 0.000 0.000) 3.317 12.635 ( 12.765 0.000 0.000) 12.765 13.637 ( 15.186 0.000 0.000) 15.186 13.848 ( -17.154 0.000 0.000) 17.154 14.089 ( 0.326 0.000 0.000) 0.326 14.156 ( 3.215 0.000 0.000) 3.215 14.277 ( 14.278 0.000 0.000) 14.278 14.521 ( -5.049 0.000 0.000) 5.049 14.916 ( -11.981 0.000 0.000) 11.981 14.953 ( -8.883 0.000 0.000) 8.883 15.160 ( -12.268 0.000 0.000) 12.268 15.872 ( 8.374 0.000 0.000) 8.374 15.874 ( 2.635 0.000 0.000) 2.635 16.104 ( 0.801 0.000 0.000) 0.801 16.163 ( -6.934 0.000 0.000) 6.934 16.485 ( -1.661 0.000 0.000) 1.661 16.552 ( 1.670 0.000 0.000) 1.670 16.607 ( -3.963 0.000 0.000) 3.963 16.646 ( -0.504 0.000 0.000) 0.504 17.197 ( 7.113 0.000 0.000) 7.113 17.571 ( 0.067 0.000 0.000) 0.067 17.586 ( -0.612 0.000 0.000) 0.612 17.811 ( -12.165 0.000 0.000) 12.165 18.114 ( 0.238 0.000 0.000) 0.238 18.124 ( -0.667 0.000 0.000) 0.667 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 22.462 0.000 0.000) 22.462 2.421 ( 22.320 0.000 0.000) 22.320 2.490 ( -7.353 0.000 0.000) 7.353 2.771 ( -13.538 0.000 0.000) 13.538 3.446 ( -0.908 0.000 0.000) 0.908 3.452 ( 4.636 0.000 0.000) 4.636 3.481 ( 4.801 0.000 0.000) 4.801 3.523 ( -8.717 0.000 0.000) 8.717 3.809 ( -4.884 0.000 0.000) 4.884 3.847 ( -4.491 0.000 0.000) 4.491 4.016 ( 19.067 0.000 0.000) 19.067 4.191 ( -1.418 0.000 0.000) 1.418 4.246 ( -6.274 0.000 0.000) 6.274 4.311 ( -12.085 0.000 0.000) 12.085 5.509 ( 28.136 0.000 0.000) 28.136 5.637 ( 23.775 0.000 0.000) 23.775 5.673 ( 24.992 0.000 0.000) 24.992 5.983 ( -17.515 0.000 0.000) 17.515 6.165 ( -24.521 0.000 0.000) 24.521 6.208 ( -31.413 0.000 0.000) 31.413 6.583 ( 17.141 0.000 0.000) 17.141 6.834 ( 2.553 0.000 0.000) 2.553 6.914 ( -5.685 0.000 0.000) 5.685 6.970 ( -19.495 0.000 0.000) 19.495 7.236 ( 5.018 0.000 0.000) 5.018 7.348 ( -7.318 0.000 0.000) 7.318 7.840 ( 2.423 0.000 0.000) 2.423 7.897 ( -3.072 0.000 0.000) 3.072 8.401 ( 2.913 0.000 0.000) 2.913 8.418 ( 1.177 0.000 0.000) 1.177 9.545 ( 1.628 0.000 0.000) 1.628 9.553 ( 0.997 0.000 0.000) 0.997 10.352 ( 10.281 0.000 0.000) 10.281 10.573 ( -12.516 0.000 0.000) 12.516 12.430 ( 5.291 0.000 0.000) 5.291 12.509 ( -3.361 0.000 0.000) 3.361 12.955 ( 20.443 0.000 0.000) 20.443 13.396 ( -24.967 0.000 0.000) 24.967 13.911 ( 13.949 0.000 0.000) 13.949 14.133 ( -7.180 0.000 0.000) 7.180 14.224 ( 9.116 0.000 0.000) 9.116 14.393 ( -8.125 0.000 0.000) 8.125 14.589 ( 17.051 0.000 0.000) 17.051 14.747 ( -3.196 0.000 0.000) 3.196 14.798 ( -6.589 0.000 0.000) 6.589 14.901 ( -14.937 0.000 0.000) 14.937 15.940 ( 4.300 0.000 0.000) 4.300 16.021 ( 6.431 0.000 0.000) 6.431 16.038 ( -5.975 0.000 0.000) 5.975 16.099 ( -1.786 0.000 0.000) 1.786 16.477 ( 1.060 0.000 0.000) 1.060 16.527 ( -3.927 0.000 0.000) 3.927 16.588 ( 2.039 0.000 0.000) 2.039 16.625 ( -1.631 0.000 0.000) 1.631 17.361 ( 10.049 0.000 0.000) 10.049 17.573 ( 0.143 0.000 0.000) 0.143 17.575 ( -12.124 0.000 0.000) 12.124 17.577 ( -0.328 0.000 0.000) 0.328 18.116 ( 0.001 0.000 0.000) 0.001 18.116 ( -0.136 0.000 0.000) 0.136 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 0.000 19.481 0.000) 19.481 0.612 ( 0.000 32.469 0.000) 32.469 1.170 ( 0.000 60.615 0.000) 60.615 2.258 ( 0.000 -9.414 0.000) 9.414 2.997 ( 0.000 2.286 0.000) 2.286 3.002 ( 0.000 -9.991 0.000) 9.991 3.415 ( 0.000 -0.104 0.000) 0.104 3.936 ( 0.000 -2.633 0.000) 2.633 3.983 ( 0.000 1.579 0.000) 1.579 4.021 ( 0.000 3.832 0.000) 3.832 4.036 ( 0.000 -3.733 0.000) 3.733 4.149 ( 0.000 -14.565 0.000) 14.565 4.552 ( 0.000 -0.562 0.000) 0.562 4.675 ( 0.000 8.194 0.000) 8.194 4.919 ( 0.000 5.592 0.000) 5.592 5.110 ( 0.000 -0.790 0.000) 0.790 5.202 ( 0.000 9.386 0.000) 9.386 5.360 ( 0.000 3.889 0.000) 3.889 6.676 ( 0.000 -10.667 0.000) 10.667 6.974 ( 0.000 -1.317 0.000) 1.317 7.286 ( 0.000 -11.541 0.000) 11.541 7.302 ( 0.000 -1.485 0.000) 1.485 7.383 ( 0.000 -2.799 0.000) 2.799 7.495 ( 0.000 -9.993 0.000) 9.993 7.788 ( 0.000 -0.215 0.000) 0.215 7.933 ( 0.000 -6.328 0.000) 6.328 7.967 ( 0.000 -2.765 0.000) 2.765 8.123 ( 0.000 1.537 0.000) 1.537 8.276 ( 0.000 12.706 0.000) 12.706 8.420 ( 0.000 9.494 0.000) 9.494 9.245 ( 0.000 0.890 0.000) 0.890 9.392 ( 0.000 -4.592 0.000) 4.592 10.093 ( 0.000 18.057 0.000) 18.057 11.339 ( 0.000 12.747 0.000) 12.747 11.887 ( 0.000 -6.629 0.000) 6.629 12.425 ( 0.000 2.003 0.000) 2.003 12.655 ( 0.000 -0.038 0.000) 0.038 12.680 ( 0.000 -4.278 0.000) 4.278 13.768 ( 0.000 2.623 0.000) 2.623 13.963 ( 0.000 0.853 0.000) 0.853 14.108 ( 0.000 7.528 0.000) 7.528 14.630 ( 0.000 2.488 0.000) 2.488 14.798 ( 0.000 0.166 0.000) 0.166 14.844 ( 0.000 -1.157 0.000) 1.157 15.222 ( 0.000 1.475 0.000) 1.475 15.353 ( 0.000 -2.598 0.000) 2.598 15.778 ( 0.000 -7.029 0.000) 7.029 15.861 ( 0.000 4.908 0.000) 4.908 15.934 ( 0.000 -11.305 0.000) 11.305 16.486 ( 0.000 1.877 0.000) 1.877 16.512 ( 0.000 0.367 0.000) 0.367 16.596 ( 0.000 0.081 0.000) 0.081 16.629 ( 0.000 -0.647 0.000) 0.647 16.715 ( 0.000 0.953 0.000) 0.953 16.906 ( 0.000 -7.277 0.000) 7.277 17.285 ( 0.000 -6.925 0.000) 6.925 17.602 ( 0.000 3.319 0.000) 3.319 18.079 ( 0.000 -1.886 0.000) 1.886 18.235 ( 0.000 6.434 0.000) 6.434 18.814 ( 0.000 -2.179 0.000) 2.179 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 31.786 8.719 0.000) 32.960 0.964 ( 21.892 26.645 0.000) 34.485 1.576 ( 41.372 39.604 0.000) 57.272 2.309 ( 4.855 -7.690 0.000) 9.094 2.984 ( -1.137 -8.376 0.000) 8.453 3.027 ( 3.106 0.891 0.000) 3.231 3.438 ( 0.151 -3.279 0.000) 3.283 3.894 ( -8.963 -2.709 0.000) 9.363 3.905 ( -3.564 -4.804 0.000) 5.981 4.006 ( 2.684 4.120 0.000) 4.917 4.149 ( 12.476 3.069 0.000) 12.848 4.189 ( -0.683 -8.635 0.000) 8.662 4.595 ( 4.616 -1.250 0.000) 4.783 4.843 ( -7.498 4.264 0.000) 8.626 4.847 ( 15.864 5.358 0.000) 16.744 5.022 ( -7.146 18.888 0.000) 20.194 5.143 ( -5.974 11.839 0.000) 13.261 5.319 ( -1.599 -8.930 0.000) 9.072 6.728 ( 4.722 -11.219 0.000) 12.172 6.932 ( -3.755 -1.049 0.000) 3.898 7.206 ( -10.401 -2.150 0.000) 10.621 7.243 ( -4.804 -9.541 0.000) 10.682 7.254 ( -11.227 -1.997 0.000) 11.404 7.488 ( -1.059 -9.229 0.000) 9.290 7.558 ( -19.417 6.920 0.000) 20.614 7.834 ( -0.681 -4.327 0.000) 4.381 7.877 ( -7.259 -2.021 0.000) 7.535 8.082 ( -7.164 -6.946 0.000) 9.978 8.255 ( -0.127 19.971 0.000) 19.971 8.315 ( 5.253 18.036 0.000) 18.785 9.296 ( 4.830 0.427 0.000) 4.848 9.455 ( 0.063 -5.939 0.000) 5.940 10.133 ( 4.709 16.368 0.000) 17.032 11.289 ( -5.102 12.797 0.000) 13.777 12.003 ( 3.432 -10.444 0.000) 10.994 12.435 ( 1.558 2.339 0.000) 2.811 12.654 ( -2.565 -4.433 0.000) 5.122 12.850 ( 18.320 -3.514 0.000) 18.654 13.795 ( 2.782 2.222 0.000) 3.561 13.996 ( 3.198 0.807 0.000) 3.298 14.112 ( 0.696 7.719 0.000) 7.751 14.625 ( 0.040 2.828 0.000) 2.828 14.702 ( -10.092 1.661 0.000) 10.227 15.043 ( 6.814 -11.968 0.000) 13.771 15.194 ( -2.871 0.357 0.000) 2.893 15.382 ( 2.050 -1.831 0.000) 2.749 15.720 ( -5.100 -7.252 0.000) 8.866 15.861 ( -0.004 4.347 0.000) 4.347 15.946 ( 1.191 -11.318 0.000) 11.380 16.429 ( -4.850 2.211 0.000) 5.330 16.514 ( -0.082 -0.153 0.000) 0.173 16.586 ( -3.353 -1.138 0.000) 3.541 16.615 ( 1.126 -0.328 0.000) 1.173 16.710 ( -0.472 1.293 0.000) 1.377 16.948 ( 3.725 -6.232 0.000) 7.260 17.386 ( 5.980 -13.161 0.000) 14.456 17.603 ( 0.112 3.408 0.000) 3.410 18.082 ( 0.345 -1.881 0.000) 1.912 18.198 ( -3.809 6.092 0.000) 7.185 18.493 ( -18.199 13.238 0.000) 22.504 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 22.853 21.953 0.000) 31.689 1.398 ( 31.191 4.440 0.000) 31.505 2.420 ( 6.201 -3.865 0.000) 7.307 2.492 ( 48.698 19.658 0.000) 52.516 2.980 ( 1.421 -5.178 0.000) 5.369 3.118 ( 6.486 -2.201 0.000) 6.850 3.391 ( -4.899 -6.800 0.000) 8.381 3.750 ( -5.842 2.469 0.000) 6.342 3.809 ( -6.340 -4.944 0.000) 8.040 4.032 ( -1.276 3.194 0.000) 3.439 4.115 ( -6.309 -5.485 0.000) 8.360 4.478 ( 19.280 0.884 0.000) 19.300 4.586 ( -9.482 0.923 0.000) 9.527 4.794 ( -11.696 20.154 0.000) 23.302 4.818 ( 11.012 2.183 0.000) 11.227 4.996 ( -7.686 15.082 0.000) 16.927 5.286 ( 13.845 -4.280 0.000) 14.491 5.332 ( 13.473 -2.113 0.000) 13.638 6.809 ( 0.146 -8.749 0.000) 8.750 6.860 ( -3.189 -0.039 0.000) 3.190 6.944 ( -15.731 -2.821 0.000) 15.982 7.024 ( -10.227 -5.386 0.000) 11.558 7.089 ( -11.706 -5.202 0.000) 12.810 7.280 ( -11.569 3.634 0.000) 12.126 7.432 ( -5.444 -6.121 0.000) 8.191 7.698 ( -12.511 -5.272 0.000) 13.576 7.783 ( -4.194 -7.134 0.000) 8.276 7.911 ( -7.841 -9.250 0.000) 12.127 8.337 ( 6.682 15.891 0.000) 17.239 8.434 ( 6.263 16.451 0.000) 17.602 9.403 ( 5.742 -0.361 0.000) 5.753 9.452 ( 0.733 -3.079 0.000) 3.165 10.230 ( 4.994 15.464 0.000) 16.250 11.149 ( -9.358 12.966 0.000) 15.990 12.075 ( 5.447 -8.184 0.000) 9.831 12.507 ( 6.621 3.934 0.000) 7.701 12.590 ( -3.846 -4.965 0.000) 6.280 13.233 ( 19.891 -6.502 0.000) 20.926 13.872 ( 5.045 1.375 0.000) 5.229 14.067 ( 3.173 -0.297 0.000) 3.187 14.154 ( 4.318 7.168 0.000) 8.368 14.429 ( -17.074 4.990 0.000) 17.789 14.619 ( -0.914 3.520 0.000) 3.636 15.046 ( -4.481 -6.375 0.000) 7.792 15.100 ( -7.664 -0.935 0.000) 7.721 15.347 ( -7.367 -1.301 0.000) 7.481 15.683 ( 3.589 -6.768 0.000) 7.661 15.866 ( 0.757 3.117 0.000) 3.208 15.975 ( 1.740 -10.904 0.000) 11.042 16.320 ( -6.390 2.568 0.000) 6.887 16.478 ( -3.385 -4.194 0.000) 5.390 16.561 ( 0.828 2.011 0.000) 2.175 16.619 ( -1.122 -1.737 0.000) 2.068 16.700 ( -0.491 2.520 0.000) 2.568 17.031 ( 4.963 -5.329 0.000) 7.282 17.455 ( 1.613 -12.139 0.000) 12.246 17.606 ( 0.294 3.702 0.000) 3.714 18.084 ( -8.454 5.722 0.000) 10.209 18.091 ( 0.494 -1.828 0.000) 1.894 18.254 ( -7.691 8.165 0.000) 11.217 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 24.272 13.327 0.000) 27.690 1.956 ( 26.912 2.139 0.000) 26.997 2.527 ( 4.416 -0.025 0.000) 4.416 2.956 ( -0.731 4.339 0.000) 4.400 3.266 ( 8.511 -5.067 0.000) 9.905 3.271 ( 1.436 -12.619 0.000) 12.701 3.351 ( 21.363 3.484 0.000) 21.645 3.659 ( -9.594 -5.339 0.000) 10.979 3.705 ( 5.631 9.208 0.000) 10.793 3.946 ( -7.044 1.519 0.000) 7.205 3.975 ( -7.438 -4.389 0.000) 8.636 4.307 ( -13.186 -0.667 0.000) 13.203 4.582 ( -9.264 16.604 0.000) 19.014 4.783 ( -8.437 22.614 0.000) 24.137 4.973 ( 26.921 1.109 0.000) 26.944 5.197 ( 21.955 -1.603 0.000) 22.013 5.379 ( 8.159 2.869 0.000) 8.649 5.830 ( 25.576 -2.974 0.000) 25.749 6.566 ( -20.430 -3.873 0.000) 20.794 6.610 ( -18.058 -2.777 0.000) 18.270 6.766 ( -21.765 0.448 0.000) 21.770 6.827 ( -1.184 0.867 0.000) 1.468 6.998 ( -0.177 -7.901 0.000) 7.903 7.117 ( -3.232 -0.089 0.000) 3.233 7.261 ( -12.776 -3.003 0.000) 13.124 7.431 ( -12.939 -9.179 0.000) 15.864 7.713 ( -2.297 -9.331 0.000) 9.609 7.812 ( -3.457 -12.182 0.000) 12.663 8.465 ( 6.056 13.802 0.000) 15.072 8.535 ( 3.966 15.037 0.000) 15.551 9.487 ( 2.549 -2.192 0.000) 3.361 9.498 ( 3.826 -0.965 0.000) 3.946 10.335 ( 6.573 15.276 0.000) 16.631 10.942 ( -11.961 13.311 0.000) 17.896 12.204 ( 7.364 -9.237 0.000) 11.813 12.514 ( -4.037 -6.035 0.000) 7.261 12.701 ( 13.687 5.978 0.000) 14.936 13.581 ( 16.693 -6.025 0.000) 17.747 13.874 ( -15.683 2.561 0.000) 15.890 14.051 ( 2.852 -2.262 0.000) 3.640 14.229 ( -1.136 5.912 0.000) 6.020 14.277 ( 7.137 1.532 0.000) 7.299 14.596 ( -0.370 6.617 0.000) 6.628 14.894 ( -12.638 -2.457 0.000) 12.874 14.924 ( -7.384 -2.653 0.000) 7.846 15.161 ( -10.804 0.338 0.000) 10.809 15.813 ( 8.104 -5.960 0.000) 10.060 15.897 ( 2.675 2.201 0.000) 3.463 16.006 ( 1.287 -10.112 0.000) 10.193 16.191 ( -6.858 2.827 0.000) 7.418 16.423 ( -1.891 -5.464 0.000) 5.782 16.569 ( -3.915 -2.756 0.000) 4.788 16.590 ( 1.956 3.127 0.000) 3.688 16.689 ( -0.735 3.358 0.000) 3.437 17.140 ( 6.494 -5.535 0.000) 8.532 17.459 ( -1.148 -10.759 0.000) 10.820 17.616 ( 0.746 4.369 0.000) 4.432 17.894 ( -10.380 6.651 0.000) 12.328 18.100 ( 0.434 -1.605 0.000) 1.662 18.161 ( -2.968 3.055 0.000) 4.260 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 18.716 5.941 0.000) 19.636 2.392 ( 14.416 -1.192 0.000) 14.466 2.569 ( 2.420 5.687 0.000) 6.181 2.809 ( -13.707 3.909 0.000) 14.253 3.300 ( 5.002 -10.690 0.000) 11.802 3.400 ( 1.421 -9.025 0.000) 9.136 3.472 ( -5.567 -3.701 0.000) 6.685 3.478 ( -0.457 -1.901 0.000) 1.955 3.806 ( -4.442 -0.669 0.000) 4.492 3.808 ( -5.593 1.555 0.000) 5.805 4.022 ( 9.565 1.169 0.000) 9.637 4.126 ( -5.487 -1.774 0.000) 5.766 4.509 ( 2.979 23.520 0.000) 23.708 4.629 ( -7.511 25.828 0.000) 26.898 5.505 ( 27.665 -0.333 0.000) 27.667 5.654 ( 24.904 -1.920 0.000) 24.978 5.680 ( 23.547 4.637 0.000) 24.000 5.982 ( -17.210 -0.055 0.000) 17.210 6.135 ( -23.894 -2.880 0.000) 24.067 6.244 ( -30.527 3.754 0.000) 30.757 6.536 ( 17.733 -5.004 0.000) 18.426 6.843 ( 1.827 0.704 0.000) 1.958 6.919 ( -4.875 0.111 0.000) 4.876 6.942 ( -19.593 -2.764 0.000) 19.787 7.156 ( 4.017 -8.007 0.000) 8.958 7.251 ( -6.452 -9.799 0.000) 11.733 7.707 ( 1.491 -11.605 0.000) 11.700 7.753 ( -2.905 -12.762 0.000) 13.089 8.554 ( 3.093 13.472 0.000) 13.823 8.579 ( 0.544 14.033 0.000) 14.043 9.532 ( 1.782 -1.756 0.000) 2.502 9.543 ( 0.827 -1.390 0.000) 1.618 10.492 ( 9.917 14.654 0.000) 17.695 10.707 ( -12.186 13.895 0.000) 18.482 12.336 ( 6.085 -9.281 0.000) 11.098 12.435 ( -4.431 -7.698 0.000) 8.882 13.024 ( 19.908 6.574 0.000) 20.966 13.448 ( -23.807 5.215 0.000) 24.372 13.890 ( 15.889 -2.996 0.000) 16.169 14.155 ( -9.653 0.968 0.000) 9.702 14.184 ( 8.067 -2.573 0.000) 8.467 14.314 ( -4.137 -4.200 0.000) 5.895 14.685 ( 8.705 5.406 0.000) 10.247 14.723 ( -2.809 -2.500 0.000) 3.761 14.797 ( -4.077 1.560 0.000) 4.365 14.940 ( -12.167 4.192 0.000) 12.869 15.942 ( 5.113 -3.781 0.000) 6.359 15.975 ( 4.950 -1.002 0.000) 5.050 16.011 ( -1.334 -8.335 0.000) 8.441 16.068 ( -5.725 2.133 0.000) 6.109 16.418 ( 1.643 -5.103 0.000) 5.361 16.483 ( -4.578 -3.711 0.000) 5.894 16.630 ( 2.138 3.616 0.000) 4.201 16.667 ( -1.621 3.649 0.000) 3.993 17.277 ( 7.526 -7.375 0.000) 10.537 17.404 ( -4.971 -10.075 0.000) 11.235 17.642 ( 2.294 5.865 0.000) 6.297 17.723 ( -6.748 7.517 0.000) 10.102 18.108 ( 0.496 -0.983 0.000) 1.101 18.123 ( -1.205 0.389 0.000) 1.266 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 20.929 0.000) 20.929 1.209 ( 0.000 31.330 0.000) 31.330 1.980 ( 0.000 -19.434 0.000) 19.434 2.222 ( 0.000 49.893 0.000) 49.893 2.735 ( 0.000 -17.298 0.000) 17.298 3.113 ( 0.000 9.826 0.000) 9.826 3.422 ( 0.000 1.094 0.000) 1.094 3.806 ( 0.000 -9.678 0.000) 9.678 3.870 ( 0.000 -14.216 0.000) 14.216 3.917 ( 0.000 -9.530 0.000) 9.530 4.070 ( 0.000 5.674 0.000) 5.674 4.100 ( 0.000 4.122 0.000) 4.122 4.547 ( 0.000 0.475 0.000) 0.475 4.817 ( 0.000 7.022 0.000) 7.022 4.880 ( 0.000 -7.031 0.000) 7.031 5.085 ( 0.000 -2.017 0.000) 2.017 5.471 ( 0.000 8.259 0.000) 8.259 5.608 ( 0.000 29.910 0.000) 29.910 6.393 ( 0.000 -18.832 0.000) 18.832 6.949 ( 0.000 -0.938 0.000) 0.938 7.029 ( 0.000 -14.423 0.000) 14.423 7.274 ( 0.000 -1.345 0.000) 1.345 7.312 ( 0.000 -11.636 0.000) 11.636 7.323 ( 0.000 -3.159 0.000) 3.159 7.781 ( 0.000 -0.450 0.000) 0.450 7.830 ( 0.000 -4.126 0.000) 4.126 7.914 ( 0.000 -2.519 0.000) 2.519 8.013 ( 0.000 -7.359 0.000) 7.359 8.621 ( 0.000 18.886 0.000) 18.886 8.627 ( 0.000 12.106 0.000) 12.106 9.239 ( 0.000 -2.225 0.000) 2.225 9.268 ( 0.000 -8.472 0.000) 8.472 10.516 ( 0.000 25.375 0.000) 25.375 11.654 ( 0.000 19.716 0.000) 19.716 11.702 ( 0.000 -13.128 0.000) 13.128 12.476 ( 0.000 3.358 0.000) 3.358 12.558 ( 0.000 -8.882 0.000) 8.882 12.644 ( 0.000 -1.225 0.000) 1.225 13.834 ( 0.000 4.194 0.000) 4.194 13.979 ( 0.000 0.534 0.000) 0.534 14.320 ( 0.000 14.769 0.000) 14.769 14.698 ( 0.000 4.930 0.000) 4.930 14.810 ( 0.000 -2.452 0.000) 2.452 14.819 ( 0.000 2.649 0.000) 2.649 15.266 ( 0.000 3.201 0.000) 3.201 15.271 ( 0.000 -6.566 0.000) 6.566 15.611 ( 0.000 -9.831 0.000) 9.831 15.636 ( 0.000 -19.942 0.000) 19.942 15.993 ( 0.000 8.994 0.000) 8.994 16.511 ( 0.000 -1.123 0.000) 1.123 16.531 ( 0.000 2.533 0.000) 2.533 16.596 ( 0.000 -0.137 0.000) 0.137 16.614 ( 0.000 -0.883 0.000) 0.883 16.731 ( 0.000 -10.240 0.000) 10.240 16.749 ( 0.000 2.918 0.000) 2.918 17.131 ( 0.000 -8.929 0.000) 8.929 17.688 ( 0.000 5.704 0.000) 5.704 18.023 ( 0.000 -4.139 0.000) 4.139 18.378 ( 0.000 8.203 0.000) 8.203 18.754 ( 0.000 -4.254 0.000) 4.254 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 24.248 14.917 0.000) 28.469 1.439 ( 18.913 25.217 0.000) 31.522 2.069 ( 8.609 -17.289 0.000) 19.314 2.412 ( 20.154 42.548 0.000) 47.080 2.758 ( 2.741 -13.799 0.000) 14.068 3.113 ( 0.192 8.373 0.000) 8.375 3.401 ( -2.754 -0.290 0.000) 2.769 3.769 ( -3.714 -9.610 0.000) 10.303 3.774 ( -4.505 -9.493 0.000) 10.507 4.025 ( 4.853 -9.157 0.000) 10.364 4.110 ( 3.230 6.542 0.000) 7.296 4.214 ( 11.317 3.401 0.000) 11.817 4.572 ( 3.123 -0.862 0.000) 3.240 4.807 ( -6.928 -5.877 0.000) 9.085 4.913 ( 10.621 3.200 0.000) 11.093 5.148 ( 4.168 -5.260 0.000) 6.711 5.382 ( -7.271 15.328 0.000) 16.966 5.570 ( -3.965 30.191 0.000) 30.450 6.440 ( 4.751 -19.013 0.000) 19.597 6.916 ( -2.714 -0.476 0.000) 2.755 7.007 ( -2.730 -14.215 0.000) 14.475 7.174 ( -10.655 -1.232 0.000) 10.726 7.210 ( -10.792 -2.400 0.000) 11.056 7.321 ( 0.720 -10.391 0.000) 10.416 7.616 ( -15.678 1.377 0.000) 15.738 7.762 ( -4.273 -3.600 0.000) 5.587 7.831 ( -7.923 -2.438 0.000) 8.290 7.926 ( -9.200 -8.161 0.000) 12.298 8.594 ( -0.152 16.121 0.000) 16.121 8.666 ( 4.236 18.315 0.000) 18.798 9.281 ( 4.039 -2.641 0.000) 4.825 9.309 ( 2.330 -9.357 0.000) 9.643 10.545 ( 3.285 25.573 0.000) 25.783 11.607 ( -4.897 19.882 0.000) 20.477 11.771 ( 4.943 -14.579 0.000) 15.394 12.496 ( 2.661 4.078 0.000) 4.870 12.527 ( -3.031 -9.179 0.000) 9.667 12.776 ( 12.811 -4.491 0.000) 13.575 13.852 ( 1.949 3.762 0.000) 4.237 14.008 ( 2.681 0.129 0.000) 2.684 14.325 ( 0.653 14.639 0.000) 14.654 14.698 ( 0.341 4.974 0.000) 4.986 14.759 ( -6.625 4.918 0.000) 8.251 14.886 ( 4.910 -5.651 0.000) 7.487 15.202 ( -4.692 -0.226 0.000) 4.698 15.330 ( 3.772 -3.520 0.000) 5.159 15.545 ( -6.078 -10.299 0.000) 11.959 15.652 ( 1.680 -19.499 0.000) 19.571 15.977 ( -1.471 7.914 0.000) 8.050 16.474 ( -4.626 -4.809 0.000) 6.673 16.482 ( -4.225 3.208 0.000) 5.305 16.581 ( -0.097 0.961 0.000) 0.966 16.604 ( -0.012 -0.938 0.000) 0.938 16.752 ( 0.335 3.338 0.000) 3.354 16.806 ( 5.381 -7.922 0.000) 9.577 17.167 ( 3.075 -10.684 0.000) 11.118 17.691 ( 0.286 5.779 0.000) 5.786 18.026 ( 0.369 -4.127 0.000) 4.143 18.333 ( -4.613 7.628 0.000) 8.915 18.605 ( -12.752 0.756 0.000) 12.774 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 27.538 8.991 0.000) 28.968 1.790 ( 17.228 20.824 0.000) 27.027 2.271 ( 11.507 -12.056 0.000) 16.666 2.804 ( 8.117 -11.316 0.000) 13.927 2.982 ( 29.025 26.189 0.000) 39.094 3.131 ( 2.076 4.361 0.000) 4.830 3.304 ( -7.190 -1.647 0.000) 7.376 3.672 ( -6.353 -9.414 0.000) 11.357 3.721 ( -0.467 -4.378 0.000) 4.403 4.049 ( -2.398 -1.984 0.000) 3.112 4.126 ( -2.772 6.658 0.000) 7.212 4.473 ( 5.335 -2.109 0.000) 5.736 4.603 ( 4.323 1.650 0.000) 4.628 4.790 ( 12.170 -3.307 0.000) 12.611 5.070 ( -10.264 3.772 0.000) 10.935 5.235 ( 21.550 -2.846 0.000) 21.737 5.376 ( 6.659 13.623 0.000) 15.164 5.465 ( -6.518 31.233 0.000) 31.906 6.553 ( 5.960 -18.471 0.000) 19.409 6.867 ( -2.316 -0.769 0.000) 2.440 6.894 ( -17.239 -1.700 0.000) 17.322 6.922 ( -5.780 -10.489 0.000) 11.977 6.947 ( -16.172 -3.068 0.000) 16.461 7.319 ( -1.889 -6.531 0.000) 6.798 7.340 ( -12.342 3.210 0.000) 12.753 7.615 ( -15.726 -3.806 0.000) 16.180 7.651 ( -6.824 -6.972 0.000) 9.756 7.698 ( -12.059 -11.580 0.000) 16.719 8.646 ( 4.746 16.265 0.000) 16.944 8.759 ( 4.910 17.214 0.000) 17.901 9.350 ( 2.476 -7.713 0.000) 8.101 9.372 ( 4.930 -3.456 0.000) 6.021 10.625 ( 4.612 25.137 0.000) 25.557 11.473 ( -8.903 20.408 0.000) 22.266 11.865 ( 5.235 -14.278 0.000) 15.208 12.449 ( -4.928 -10.177 0.000) 11.307 12.601 ( 8.756 5.992 0.000) 10.610 13.078 ( 17.472 -9.485 0.000) 19.880 13.910 ( 4.005 2.633 0.000) 4.793 14.055 ( 0.989 -1.098 0.000) 1.477 14.347 ( 1.464 12.746 0.000) 12.830 14.564 ( -12.825 9.319 0.000) 15.853 14.707 ( 0.376 5.346 0.000) 5.359 14.929 ( -0.518 -4.812 0.000) 4.840 15.071 ( -9.943 -2.489 0.000) 10.250 15.316 ( -6.820 -1.884 0.000) 7.076 15.514 ( 5.698 -10.352 0.000) 11.817 15.695 ( 2.631 -18.419 0.000) 18.606 15.950 ( -0.920 5.751 0.000) 5.825 16.372 ( -5.077 -6.991 0.000) 8.640 16.385 ( -5.832 4.114 0.000) 7.137 16.582 ( -2.374 -2.259 0.000) 3.277 16.609 ( 2.384 3.215 0.000) 4.003 16.761 ( 0.508 4.158 0.000) 4.189 16.909 ( 5.368 -7.151 0.000) 8.942 17.222 ( 2.217 -12.082 0.000) 12.284 17.700 ( 0.678 6.001 0.000) 6.040 18.036 ( 0.636 -4.041 0.000) 4.090 18.206 ( -8.531 6.660 0.000) 10.823 18.365 ( -10.898 3.258 0.000) 11.374 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 23.874 4.934 0.000) 24.379 2.109 ( 16.237 14.745 0.000) 21.933 2.477 ( 9.524 -5.978 0.000) 11.244 2.946 ( 7.911 -11.305 0.000) 13.798 3.118 ( -10.904 1.630 0.000) 11.025 3.195 ( 4.275 -1.044 0.000) 4.401 3.392 ( 6.221 -1.089 0.000) 6.316 3.527 ( -8.651 -8.196 0.000) 11.917 3.854 ( 14.894 7.530 0.000) 16.690 3.958 ( -6.132 2.661 0.000) 6.685 4.015 ( -7.760 5.372 0.000) 9.438 4.286 ( -12.444 -1.992 0.000) 12.602 4.927 ( -1.331 18.889 0.000) 18.936 4.992 ( 25.493 1.792 0.000) 25.556 5.133 ( 20.512 -1.216 0.000) 20.548 5.344 ( -4.851 31.033 0.000) 31.410 5.510 ( 10.385 12.048 0.000) 15.906 5.738 ( 26.596 -7.086 0.000) 27.524 6.492 ( -18.246 -4.352 0.000) 18.757 6.544 ( -19.067 -4.077 0.000) 19.498 6.739 ( -13.123 -5.877 0.000) 14.379 6.752 ( 1.633 -16.457 0.000) 16.538 6.858 ( -0.853 3.440 0.000) 3.544 7.149 ( -7.590 3.100 0.000) 8.199 7.183 ( -12.999 -4.549 0.000) 13.772 7.269 ( -17.880 -6.784 0.000) 19.124 7.531 ( -5.007 -9.641 0.000) 10.864 7.532 ( -4.817 -17.000 0.000) 17.669 8.747 ( 5.278 15.446 0.000) 16.323 8.837 ( 2.969 16.293 0.000) 16.561 9.408 ( 3.377 -6.362 0.000) 7.203 9.453 ( 3.196 -4.225 0.000) 5.298 10.723 ( 5.980 24.692 0.000) 25.406 11.277 ( -11.209 21.318 0.000) 24.085 11.976 ( 6.384 -15.031 0.000) 16.330 12.346 ( -5.797 -11.953 0.000) 13.285 12.834 ( 15.390 8.039 0.000) 17.364 13.419 ( 18.140 -10.731 0.000) 21.076 13.931 ( -11.836 3.154 0.000) 12.249 14.021 ( 3.136 -0.968 0.000) 3.282 14.361 ( -6.697 8.149 0.000) 10.547 14.364 ( -0.402 7.469 0.000) 7.480 14.709 ( -0.285 2.902 0.000) 2.916 14.821 ( -14.070 -5.315 0.000) 15.041 14.898 ( -1.325 2.620 0.000) 2.936 15.185 ( -6.513 2.663 0.000) 7.037 15.656 ( 7.457 -10.436 0.000) 12.826 15.746 ( 2.519 -17.031 0.000) 17.216 15.956 ( 1.849 4.108 0.000) 4.505 16.263 ( -6.778 4.602 0.000) 8.193 16.301 ( -1.911 -7.204 0.000) 7.453 16.512 ( -4.830 -3.348 0.000) 5.877 16.661 ( 2.806 4.435 0.000) 5.249 16.765 ( -0.170 4.879 0.000) 4.882 17.014 ( 5.645 -7.443 0.000) 9.341 17.242 ( -0.255 -11.725 0.000) 11.728 17.719 ( 1.485 6.379 0.000) 6.550 18.023 ( -9.782 6.702 0.000) 11.858 18.050 ( 0.896 -3.717 0.000) 3.824 18.205 ( -6.145 1.224 0.000) 6.266 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 10.469 6.362 0.000) 12.250 2.392 ( 12.091 1.293 0.000) 12.160 2.634 ( 8.446 -0.182 0.000) 8.447 2.868 ( -13.893 -1.379 0.000) 13.962 3.110 ( 7.922 -5.585 0.000) 9.693 3.236 ( -3.061 -5.999 0.000) 6.735 3.387 ( -2.878 -5.214 0.000) 5.956 3.396 ( -1.698 -5.968 0.000) 6.205 3.856 ( -3.179 4.925 0.000) 5.862 3.877 ( -5.359 5.232 0.000) 7.490 4.042 ( 3.540 0.443 0.000) 3.568 4.105 ( -5.592 -1.231 0.000) 5.726 5.040 ( 9.620 32.018 0.000) 33.432 5.194 ( -6.291 33.039 0.000) 33.632 5.502 ( 26.605 0.212 0.000) 26.606 5.612 ( 24.353 -1.955 0.000) 24.431 5.805 ( 19.355 8.288 0.000) 21.055 5.988 ( -13.137 0.883 0.000) 13.167 6.075 ( -23.350 -2.848 0.000) 23.523 6.340 ( -27.133 6.033 0.000) 27.795 6.400 ( 18.694 -9.458 0.000) 20.950 6.810 ( 2.628 -15.639 0.000) 15.858 6.820 ( -11.005 -4.589 0.000) 11.923 6.873 ( -12.765 -7.436 0.000) 14.773 7.042 ( -3.761 -7.771 0.000) 8.634 7.048 ( -3.102 0.496 0.000) 3.141 7.474 ( -0.970 -12.338 0.000) 12.376 7.481 ( -1.389 -15.242 0.000) 15.306 8.832 ( 3.277 15.254 0.000) 15.602 8.865 ( -0.141 15.615 0.000) 15.616 9.466 ( 2.343 -5.543 0.000) 6.018 9.487 ( 0.295 -4.891 0.000) 4.900 10.864 ( 8.918 23.781 0.000) 25.398 11.059 ( -11.182 22.530 0.000) 25.152 12.104 ( 6.758 -15.358 0.000) 16.779 12.230 ( -6.354 -14.076 0.000) 15.443 13.174 ( 19.823 9.088 0.000) 21.807 13.575 ( -21.404 7.890 0.000) 22.812 13.771 ( 18.437 -9.497 0.000) 20.739 14.057 ( -6.408 -7.590 0.000) 9.933 14.252 ( -1.933 6.288 0.000) 6.578 14.315 ( -4.451 4.235 0.000) 6.143 14.653 ( -2.079 -4.958 0.000) 5.376 14.679 ( -2.711 -3.989 0.000) 4.823 14.931 ( 4.983 10.838 0.000) 11.929 15.055 ( -7.083 8.045 0.000) 10.719 15.763 ( 3.281 -12.830 0.000) 13.243 15.782 ( 0.880 -15.314 0.000) 15.340 16.022 ( 4.824 3.809 0.000) 6.146 16.133 ( -6.578 4.391 0.000) 7.909 16.312 ( 3.185 -5.897 0.000) 6.702 16.406 ( -5.877 -4.402 0.000) 7.343 16.712 ( 2.460 5.131 0.000) 5.690 16.750 ( -1.440 5.270 0.000) 5.464 17.121 ( 5.409 -8.772 0.000) 10.306 17.208 ( -3.324 -10.519 0.000) 11.031 17.763 ( 3.413 6.871 0.000) 7.672 17.860 ( -6.867 7.059 0.000) 9.848 18.073 ( 1.589 -2.880 0.000) 3.290 18.118 ( -3.270 -1.228 0.000) 3.493 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.000 22.658 0.000) 22.658 1.574 ( 0.000 -23.082 0.000) 23.082 1.777 ( 0.000 29.223 0.000) 29.223 2.290 ( 0.000 -24.951 0.000) 24.951 3.076 ( 0.000 35.434 0.000) 35.434 3.338 ( 0.000 13.485 0.000) 13.485 3.452 ( 0.000 0.018 0.000) 0.018 3.591 ( 0.000 -13.000 0.000) 13.000 3.646 ( 0.000 -9.032 0.000) 9.032 3.665 ( 0.000 -15.891 0.000) 15.891 4.156 ( 0.000 2.669 0.000) 2.669 4.160 ( 0.000 1.893 0.000) 1.893 4.592 ( 0.000 4.854 0.000) 4.854 4.725 ( 0.000 -8.579 0.000) 8.579 4.939 ( 0.000 5.843 0.000) 5.843 5.031 ( 0.000 -3.907 0.000) 3.907 5.682 ( 0.000 14.602 0.000) 14.602 6.014 ( 0.000 -20.255 0.000) 20.255 6.203 ( 0.000 31.566 0.000) 31.566 6.715 ( 0.000 -21.542 0.000) 21.542 6.959 ( 0.000 2.627 0.000) 2.627 7.078 ( 0.000 -10.756 0.000) 10.756 7.259 ( 0.000 -0.032 0.000) 0.032 7.276 ( 0.000 -1.783 0.000) 1.783 7.774 ( 0.000 -0.191 0.000) 0.191 7.781 ( 0.000 -1.268 0.000) 1.268 7.885 ( 0.000 -0.307 0.000) 0.307 7.910 ( 0.000 -3.274 0.000) 3.274 8.859 ( 0.000 12.462 0.000) 12.462 8.935 ( 0.000 14.276 0.000) 14.276 9.083 ( 0.000 -11.175 0.000) 11.175 9.145 ( 0.000 -8.050 0.000) 8.050 10.989 ( 0.000 24.225 0.000) 24.225 11.398 ( 0.000 -19.279 0.000) 19.279 12.028 ( 0.000 19.142 0.000) 19.142 12.343 ( 0.000 -14.229 0.000) 14.229 12.544 ( 0.000 3.662 0.000) 3.662 12.606 ( 0.000 -2.819 0.000) 2.819 13.914 ( 0.000 3.984 0.000) 3.984 13.970 ( 0.000 -1.784 0.000) 1.784 14.606 ( 0.000 12.570 0.000) 12.570 14.748 ( 0.000 -4.507 0.000) 4.507 14.851 ( 0.000 13.862 0.000) 13.862 14.918 ( 0.000 8.089 0.000) 8.089 15.104 ( 0.000 -10.685 0.000) 10.685 15.223 ( 0.000 -23.000 0.000) 23.000 15.341 ( 0.000 4.772 0.000) 4.772 15.449 ( 0.000 -7.075 0.000) 7.075 16.189 ( 0.000 11.687 0.000) 11.687 16.408 ( 0.000 -10.507 0.000) 10.507 16.570 ( 0.000 1.563 0.000) 1.563 16.590 ( 0.000 -0.612 0.000) 0.612 16.600 ( 0.000 -0.554 0.000) 0.554 16.605 ( 0.000 -2.038 0.000) 2.038 16.832 ( 0.000 6.005 0.000) 6.005 16.967 ( 0.000 -8.272 0.000) 8.272 17.806 ( 0.000 6.638 0.000) 6.638 17.926 ( 0.000 -6.007 0.000) 6.007 18.528 ( 0.000 7.592 0.000) 7.592 18.657 ( 0.000 -6.116 0.000) 6.116 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 17.689 18.994 0.000) 25.955 1.705 ( 12.702 -20.562 0.000) 24.169 1.911 ( 12.183 25.055 0.000) 27.861 2.359 ( 6.689 -22.215 0.000) 23.200 3.167 ( 8.582 28.965 0.000) 30.210 3.316 ( -2.089 12.583 0.000) 12.756 3.418 ( -3.471 -0.218 0.000) 3.478 3.557 ( -3.340 -12.616 0.000) 13.051 3.619 ( 1.524 -3.027 0.000) 3.389 3.801 ( 9.618 -15.239 0.000) 18.020 4.223 ( 5.815 4.546 0.000) 7.381 4.258 ( 9.464 0.741 0.000) 9.493 4.582 ( -0.173 2.628 0.000) 2.634 4.678 ( -4.200 -6.968 0.000) 8.136 4.979 ( 4.532 3.915 0.000) 5.988 5.058 ( 2.042 -4.424 0.000) 4.872 5.686 ( 0.989 17.700 0.000) 17.728 6.053 ( 4.015 -21.175 0.000) 21.552 6.166 ( -3.763 31.457 0.000) 31.681 6.676 ( -3.817 -21.836 0.000) 22.167 6.954 ( -0.223 4.148 0.000) 4.154 7.098 ( 1.889 -11.330 0.000) 11.486 7.162 ( -10.283 -0.076 0.000) 10.283 7.174 ( -10.330 -1.376 0.000) 10.421 7.647 ( -11.528 2.172 0.000) 11.731 7.698 ( -7.762 -3.193 0.000) 8.393 7.800 ( -8.635 -0.597 0.000) 8.656 7.819 ( -9.479 -3.047 0.000) 9.957 8.871 ( 1.736 13.752 0.000) 13.861 8.973 ( 3.566 14.072 0.000) 14.517 9.110 ( 2.471 -11.769 0.000) 12.026 9.182 ( 3.536 -8.190 0.000) 8.921 11.027 ( 3.646 24.846 0.000) 25.112 11.449 ( 4.416 -19.988 0.000) 20.470 11.984 ( -4.421 19.449 0.000) 19.945 12.306 ( -3.723 -14.595 0.000) 15.063 12.584 ( 4.556 5.176 0.000) 6.896 12.683 ( 7.887 -5.301 0.000) 9.503 13.927 ( 1.432 4.001 0.000) 4.249 13.989 ( 1.767 -2.303 0.000) 2.903 14.603 ( -0.438 12.309 0.000) 12.317 14.749 ( -0.167 -3.853 0.000) 3.856 14.895 ( 4.091 12.211 0.000) 12.878 14.898 ( -2.804 9.942 0.000) 10.330 15.105 ( -1.372 -10.470 0.000) 10.559 15.250 ( 2.746 -22.290 0.000) 22.459 15.311 ( -1.570 2.307 0.000) 2.790 15.388 ( -5.616 -5.916 0.000) 8.157 16.148 ( -3.682 10.095 0.000) 10.745 16.337 ( -5.885 -9.410 0.000) 11.099 16.539 ( -2.933 2.683 0.000) 3.975 16.580 ( -1.386 -1.679 0.000) 2.178 16.615 ( 2.757 2.588 0.000) 3.781 16.683 ( 5.177 -4.942 0.000) 7.157 16.840 ( 0.874 6.246 0.000) 6.307 16.983 ( 1.500 -8.878 0.000) 9.004 17.809 ( 0.384 6.666 0.000) 6.677 17.930 ( 0.397 -6.002 0.000) 6.015 18.467 ( -5.991 6.527 0.000) 8.859 18.568 ( -8.400 -4.053 0.000) 9.326 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 22.561 13.196 0.000) 26.137 2.004 ( 17.170 -15.322 0.000) 23.013 2.163 ( 12.858 19.398 0.000) 23.272 2.515 ( 8.838 -17.830 0.000) 19.900 3.271 ( -2.251 9.839 0.000) 10.093 3.296 ( -0.018 4.603 0.000) 4.603 3.341 ( -2.349 2.088 0.000) 3.143 3.474 ( -5.122 -11.257 0.000) 12.367 3.755 ( 12.968 11.574 0.000) 17.382 3.972 ( 6.431 -7.889 0.000) 10.178 4.264 ( -3.683 7.661 0.000) 8.500 4.395 ( -2.888 -5.929 0.000) 6.595 4.651 ( 12.396 3.304 0.000) 12.829 4.720 ( 13.206 -3.908 0.000) 13.772 5.088 ( 3.514 1.665 0.000) 3.889 5.154 ( 13.913 -4.764 0.000) 14.705 5.737 ( 4.337 21.645 0.000) 22.075 6.071 ( -5.741 31.566 0.000) 32.084 6.157 ( 6.236 -22.727 0.000) 23.567 6.584 ( -5.438 -22.234 0.000) 22.889 6.883 ( -17.953 0.330 0.000) 17.956 6.902 ( -17.471 -1.716 0.000) 17.555 6.959 ( 0.769 6.782 0.000) 6.825 7.140 ( 2.218 -11.724 0.000) 11.932 7.415 ( -11.452 4.955 0.000) 12.478 7.524 ( -9.522 -6.499 0.000) 11.528 7.554 ( -18.081 -1.727 0.000) 18.163 7.567 ( -15.475 -2.730 0.000) 15.714 8.931 ( 4.304 14.130 0.000) 14.771 9.052 ( 4.249 13.730 0.000) 14.372 9.170 ( 3.773 -11.323 0.000) 11.935 9.262 ( 4.305 -8.529 0.000) 9.553 11.109 ( 4.575 25.323 0.000) 25.733 11.540 ( 4.940 -20.416 0.000) 21.005 11.865 ( -7.916 20.414 0.000) 21.895 12.207 ( -6.450 -15.787 0.000) 17.054 12.732 ( 11.084 7.994 0.000) 13.666 12.897 ( 14.060 -9.517 0.000) 16.978 13.966 ( 2.456 3.226 0.000) 4.055 14.022 ( 1.011 -2.504 0.000) 2.700 14.581 ( -1.986 10.801 0.000) 10.982 14.728 ( -2.223 -4.743 0.000) 5.238 14.768 ( -11.093 12.020 0.000) 16.356 14.975 ( -12.356 -8.652 0.000) 15.084 14.984 ( 4.809 12.855 0.000) 13.725 15.293 ( -2.540 0.192 0.000) 2.547 15.319 ( 4.185 -20.665 0.000) 21.085 15.347 ( 4.730 -6.115 0.000) 7.731 16.076 ( -3.163 7.609 0.000) 8.240 16.227 ( -4.973 -8.204 0.000) 9.593 16.464 ( -4.881 4.104 0.000) 6.377 16.532 ( -3.619 -3.139 0.000) 4.791 16.682 ( 3.873 4.558 0.000) 5.981 16.782 ( 5.079 -6.167 0.000) 7.990 16.861 ( 1.168 6.778 0.000) 6.878 17.016 ( 1.694 -9.743 0.000) 9.889 17.821 ( 0.840 6.719 0.000) 6.772 17.941 ( 0.789 -5.943 0.000) 5.995 18.316 ( -9.308 4.835 0.000) 10.488 18.378 ( -10.414 -1.566 0.000) 10.531 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 19.657 8.193 0.000) 21.296 2.318 ( 14.926 -9.882 0.000) 17.901 2.383 ( 9.859 14.826 0.000) 17.805 2.670 ( 6.477 -15.761 0.000) 17.039 3.203 ( -5.441 5.628 0.000) 7.828 3.240 ( -0.978 5.293 0.000) 5.383 3.314 ( -2.356 -5.906 0.000) 6.358 3.370 ( -5.439 -8.132 0.000) 9.783 3.982 ( 6.838 4.754 0.000) 8.329 4.010 ( -1.738 1.447 0.000) 2.262 4.126 ( -8.899 6.053 0.000) 10.763 4.226 ( -10.609 -4.368 0.000) 11.473 5.032 ( 23.947 2.466 0.000) 24.074 5.083 ( 22.735 -2.963 0.000) 22.927 5.266 ( 17.114 17.154 0.000) 24.231 5.549 ( 26.134 -12.517 0.000) 28.977 5.836 ( 5.779 21.122 0.000) 21.898 5.961 ( -5.494 32.250 0.000) 32.715 6.256 ( 2.153 -21.535 0.000) 21.643 6.481 ( -5.172 -21.796 0.000) 22.402 6.502 ( -21.430 0.180 0.000) 21.430 6.541 ( -18.237 -4.539 0.000) 18.793 6.971 ( -1.315 8.634 0.000) 8.733 7.144 ( -23.585 -1.210 0.000) 23.616 7.159 ( -5.423 -5.449 0.000) 7.687 7.231 ( -7.608 5.725 0.000) 9.521 7.237 ( -12.966 -11.278 0.000) 17.184 7.362 ( -6.872 -8.199 0.000) 10.698 9.022 ( 4.845 13.680 0.000) 14.512 9.120 ( 2.479 13.492 0.000) 13.718 9.250 ( 4.279 -10.452 0.000) 11.294 9.331 ( 2.609 -8.938 0.000) 9.311 11.203 ( 5.565 25.411 0.000) 26.013 11.641 ( 5.718 -20.906 0.000) 21.674 11.692 ( -9.833 21.957 0.000) 24.058 12.068 ( -7.916 -17.727 0.000) 19.414 13.002 ( 16.891 10.005 0.000) 19.632 13.206 ( 17.930 -11.528 0.000) 21.316 13.981 ( -6.203 2.024 0.000) 6.524 14.007 ( -0.081 -0.853 0.000) 0.856 14.523 ( -4.034 8.630 0.000) 9.526 14.528 ( -11.721 9.380 0.000) 15.012 14.663 ( -4.403 -5.924 0.000) 7.381 14.695 ( -14.323 -8.108 0.000) 16.459 15.077 ( 4.929 14.723 0.000) 15.526 15.274 ( -0.603 7.105 0.000) 7.130 15.401 ( 4.167 -18.945 0.000) 19.397 15.447 ( 4.634 -10.963 0.000) 11.902 16.048 ( 0.645 5.684 0.000) 5.720 16.167 ( -0.825 -6.892 0.000) 6.941 16.354 ( -6.470 4.958 0.000) 8.151 16.442 ( -5.777 -4.251 0.000) 7.173 16.756 ( 3.795 5.783 0.000) 6.918 16.876 ( 4.785 -7.019 0.000) 8.495 16.877 ( 0.287 7.226 0.000) 7.232 17.038 ( 0.295 -9.889 0.000) 9.893 17.844 ( 1.652 6.708 0.000) 6.909 17.962 ( 1.381 -5.688 0.000) 5.853 18.133 ( -9.238 4.858 0.000) 10.438 18.198 ( -8.130 -2.006 0.000) 8.373 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 10.722 4.689 0.000) 11.703 2.516 ( 2.926 8.539 0.000) 9.026 2.559 ( 10.389 -6.450 0.000) 12.228 2.707 ( -3.678 -11.504 0.000) 12.078 3.152 ( 1.012 6.202 0.000) 6.284 3.210 ( -3.159 2.397 0.000) 3.965 3.276 ( -0.893 -6.668 0.000) 6.728 3.287 ( -2.322 -5.175 0.000) 5.672 3.954 ( -2.037 4.975 0.000) 5.376 3.980 ( -5.157 5.366 0.000) 7.442 4.025 ( -0.081 -2.402 0.000) 2.403 4.064 ( -5.299 -3.350 0.000) 6.269 5.514 ( 25.620 1.263 0.000) 25.651 5.541 ( 23.953 -1.011 0.000) 23.975 5.649 ( 16.256 30.961 0.000) 34.969 5.862 ( -4.897 32.213 0.000) 32.583 5.942 ( -6.859 5.203 0.000) 8.609 5.977 ( -5.439 -3.549 0.000) 6.494 6.101 ( -0.546 2.438 0.000) 2.498 6.184 ( 12.156 -9.224 0.000) 15.259 6.366 ( -9.306 -13.411 0.000) 16.323 6.428 ( 4.033 -21.379 0.000) 21.756 6.624 ( -24.096 -4.992 0.000) 24.608 6.709 ( -25.687 -7.326 0.000) 26.711 7.060 ( 1.943 5.944 0.000) 6.253 7.120 ( -4.252 6.106 0.000) 7.441 7.224 ( 1.635 -11.537 0.000) 11.652 7.267 ( -3.274 -9.554 0.000) 10.100 9.103 ( 3.291 13.392 0.000) 13.790 9.140 ( -0.453 13.366 0.000) 13.374 9.322 ( 2.967 -9.823 0.000) 10.262 9.354 ( -0.263 -9.360 0.000) 9.363 11.330 ( 7.892 24.907 0.000) 26.128 11.501 ( -9.770 23.648 0.000) 25.587 11.764 ( 7.200 -20.930 0.000) 22.134 11.912 ( -8.151 -19.760 0.000) 21.375 13.359 ( 19.882 10.639 0.000) 22.550 13.568 ( 19.424 -11.480 0.000) 22.563 13.733 ( -18.062 8.874 0.000) 20.124 13.901 ( -13.063 -8.890 0.000) 15.801 14.391 ( -1.460 8.147 0.000) 8.277 14.437 ( -4.486 7.785 0.000) 8.985 14.539 ( -1.474 -7.225 0.000) 7.374 14.577 ( -4.063 -6.700 0.000) 7.835 15.169 ( 4.578 14.576 0.000) 15.278 15.243 ( -2.875 12.053 0.000) 12.391 15.470 ( 2.859 -17.146 0.000) 17.382 15.497 ( 0.389 -14.685 0.000) 14.690 16.105 ( 5.009 4.967 0.000) 7.054 16.204 ( 4.542 -5.598 0.000) 7.209 16.224 ( -6.939 5.117 0.000) 8.622 16.319 ( -6.747 -4.939 0.000) 8.362 16.822 ( 3.028 6.694 0.000) 7.347 16.867 ( -1.474 7.234 0.000) 7.383 16.962 ( 3.987 -8.121 0.000) 9.047 17.021 ( -2.071 -9.254 0.000) 9.483 17.890 ( 3.397 6.473 0.000) 7.311 17.982 ( -6.362 5.808 0.000) 8.615 17.999 ( 2.688 -5.006 0.000) 5.682 18.072 ( -5.120 -3.695 0.000) 6.314 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.000 0.000 20.391) 20.391 0.703 ( 0.000 0.000 36.048) 36.048 1.051 ( 0.000 0.000 54.209) 54.209 2.416 ( 0.000 0.000 7.646) 7.646 2.929 ( 0.000 0.000 -5.928) 5.928 3.118 ( 0.000 0.000 2.064) 2.064 3.446 ( 0.000 0.000 2.891) 2.891 3.760 ( 0.000 0.000 -16.838) 16.838 3.949 ( 0.000 0.000 -4.209) 4.209 3.959 ( 0.000 0.000 -4.206) 4.206 4.214 ( 0.000 0.000 10.398) 10.398 4.274 ( 0.000 0.000 -6.205) 6.205 4.576 ( 0.000 0.000 5.243) 5.243 4.793 ( 0.000 0.000 4.638) 4.638 4.891 ( 0.000 0.000 6.547) 6.547 5.089 ( 0.000 0.000 -3.812) 3.812 5.215 ( 0.000 0.000 6.604) 6.604 5.259 ( 0.000 0.000 -3.566) 3.566 6.817 ( 0.000 0.000 3.549) 3.549 6.924 ( 0.000 0.000 -5.979) 5.979 7.259 ( 0.000 0.000 -5.843) 5.843 7.344 ( 0.000 0.000 -6.820) 6.820 7.351 ( 0.000 0.000 -6.274) 6.274 7.504 ( 0.000 0.000 -2.387) 2.387 7.695 ( 0.000 0.000 -16.268) 16.268 7.769 ( 0.000 0.000 -3.009) 3.009 7.788 ( 0.000 0.000 7.400) 7.400 8.030 ( 0.000 0.000 3.634) 3.634 8.257 ( 0.000 0.000 -3.063) 3.063 8.461 ( 0.000 0.000 19.602) 19.602 9.133 ( 0.000 0.000 -10.033) 10.033 9.425 ( 0.000 0.000 -0.859) 0.859 9.949 ( 0.000 0.000 3.985) 3.985 11.200 ( 0.000 0.000 -1.784) 1.784 11.973 ( 0.000 0.000 2.573) 2.573 12.423 ( 0.000 0.000 2.031) 2.031 12.667 ( 0.000 0.000 1.529) 1.529 12.841 ( 0.000 0.000 -2.644) 2.644 13.757 ( 0.000 0.000 1.538) 1.538 13.992 ( 0.000 0.000 3.311) 3.311 14.094 ( 0.000 0.000 5.677) 5.677 14.545 ( 0.000 0.000 -5.192) 5.192 14.753 ( 0.000 0.000 -8.498) 8.498 14.764 ( 0.000 0.000 -3.518) 3.518 15.247 ( 0.000 0.000 2.393) 2.393 15.470 ( 0.000 0.000 1.607) 1.607 15.823 ( 0.000 0.000 0.833) 0.833 15.973 ( 0.000 0.000 -0.973) 0.973 16.104 ( 0.000 0.000 6.231) 6.231 16.333 ( 0.000 0.000 -7.971) 7.971 16.607 ( 0.000 0.000 5.362) 5.362 16.612 ( 0.000 0.000 1.725) 1.725 16.619 ( 0.000 0.000 -1.667) 1.667 16.703 ( 0.000 0.000 -0.336) 0.336 17.321 ( 0.000 0.000 -3.668) 3.668 17.570 ( 0.000 0.000 0.004) 0.004 17.614 ( 0.000 0.000 -0.663) 0.663 17.842 ( 0.000 0.000 -4.104) 4.104 18.101 ( 0.000 0.000 0.519) 0.519 18.162 ( 0.000 0.000 -0.642) 0.642 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 20.617 0.000 13.262) 24.514 0.685 ( 24.500 0.000 12.293) 27.411 1.734 ( 45.924 0.000 40.010) 60.908 2.437 ( 2.161 0.000 6.562) 6.909 2.955 ( 1.991 0.000 -6.915) 7.196 3.068 ( -1.397 0.000 1.351) 1.943 3.484 ( 1.315 0.000 0.682) 1.482 3.730 ( -4.797 0.000 -14.647) 15.412 3.943 ( -2.614 0.000 -3.960) 4.745 3.976 ( 2.706 0.000 -1.133) 2.934 4.152 ( 1.862 0.000 4.659) 5.017 4.232 ( -4.295 0.000 -6.444) 7.745 4.632 ( -1.446 0.000 -0.350) 1.488 4.723 ( -11.986 0.000 6.550) 13.659 4.773 ( -5.627 0.000 3.253) 6.499 5.032 ( 19.548 0.000 14.654) 24.431 5.044 ( -7.692 0.000 -2.943) 8.236 5.509 ( 2.995 0.000 4.122) 5.095 6.866 ( 3.524 0.000 1.832) 3.972 6.878 ( -4.260 0.000 -5.952) 7.320 7.203 ( -6.037 0.000 -5.679) 8.288 7.222 ( -11.634 0.000 -3.906) 12.272 7.298 ( -5.372 0.000 -7.076) 8.884 7.376 ( -11.024 0.000 -0.725) 11.048 7.620 ( -7.210 0.000 -1.757) 7.421 7.685 ( 0.589 0.000 -10.905) 10.921 7.975 ( 10.956 0.000 4.321) 11.777 8.098 ( -11.973 0.000 1.003) 12.015 8.117 ( 7.443 0.000 2.977) 8.016 8.304 ( -10.171 0.000 14.100) 17.386 9.208 ( 6.202 0.000 -6.426) 8.930 9.519 ( 3.419 0.000 -0.090) 3.420 9.989 ( 4.156 0.000 1.785) 4.523 11.158 ( -4.735 0.000 -1.158) 4.875 12.065 ( 4.294 0.000 -1.853) 4.677 12.423 ( 0.351 0.000 1.362) 1.407 12.706 ( -3.445 0.000 -0.020) 3.445 12.903 ( 16.055 0.000 0.048) 16.056 13.801 ( 4.432 0.000 2.853) 5.271 14.022 ( 2.746 0.000 3.408) 4.376 14.085 ( -0.358 0.000 4.329) 4.343 14.476 ( -8.303 0.000 -10.048) 13.035 14.725 ( -2.958 0.000 1.391) 3.269 14.873 ( 4.703 0.000 -16.263) 16.929 15.270 ( 1.409 0.000 0.801) 1.620 15.478 ( -2.283 0.000 1.467) 2.713 15.828 ( 0.578 0.000 0.890) 1.061 15.838 ( -7.440 0.000 3.326) 8.150 16.115 ( 0.954 0.000 5.991) 6.066 16.327 ( -0.923 0.000 -6.196) 6.264 16.558 ( -2.545 0.000 3.145) 4.046 16.618 ( -1.829 0.000 -0.479) 1.891 16.648 ( 1.484 0.000 2.827) 3.193 16.708 ( 0.170 0.000 0.836) 0.853 17.087 ( -7.664 0.000 3.951) 8.622 17.569 ( -0.095 0.000 -0.101) 0.138 17.611 ( -0.328 0.000 -0.372) 0.496 18.016 ( 3.273 0.000 -11.458) 11.916 18.104 ( 0.264 0.000 0.445) 0.518 18.154 ( -0.737 0.000 -0.575) 0.935 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 28.597 0.000 8.030) 29.703 1.240 ( 35.126 0.000 -5.772) 35.597 2.494 ( 3.520 0.000 4.785) 5.940 2.590 ( 38.916 0.000 22.746) 45.076 2.990 ( 5.197 0.000 -2.297) 5.682 3.130 ( 7.002 0.000 -1.368) 7.134 3.472 ( -1.840 0.000 -0.909) 2.052 3.592 ( -7.951 0.000 -9.575) 12.445 3.840 ( -7.146 0.000 -2.320) 7.513 4.024 ( 1.048 0.000 1.406) 1.753 4.118 ( -7.374 0.000 -7.380) 10.433 4.375 ( 18.927 0.000 -6.919) 20.152 4.536 ( -7.272 0.000 -1.838) 7.501 4.592 ( -12.288 0.000 2.737) 12.590 4.668 ( 0.417 0.000 -5.421) 5.437 4.885 ( -5.173 0.000 -1.738) 5.457 5.509 ( 27.509 0.000 16.239) 31.945 5.514 ( 0.126 0.000 11.051) 11.051 6.781 ( -6.076 0.000 -6.313) 8.762 6.847 ( -9.951 0.000 -5.761) 11.498 6.953 ( -15.308 0.000 -4.645) 15.997 7.085 ( -6.573 0.000 -1.741) 6.800 7.150 ( -9.138 0.000 -6.797) 11.389 7.152 ( -8.175 0.000 2.291) 8.490 7.492 ( -7.060 0.000 -0.540) 7.080 7.689 ( -1.963 0.000 -6.879) 7.153 7.860 ( -11.438 0.000 -0.443) 11.446 8.109 ( -9.511 0.000 5.912) 11.199 8.177 ( 9.715 0.000 3.521) 10.333 8.266 ( 7.459 0.000 2.637) 7.911 9.341 ( 7.273 0.000 -2.436) 7.670 9.562 ( 1.951 0.000 5.023) 5.389 10.081 ( 5.296 0.000 0.395) 5.310 11.024 ( -9.006 0.000 -0.105) 9.007 12.159 ( 6.572 0.000 0.572) 6.597 12.459 ( 4.134 0.000 -0.402) 4.154 12.626 ( -4.054 0.000 -1.082) 4.196 13.283 ( 20.437 0.000 -1.855) 20.521 13.912 ( 6.130 0.000 5.209) 8.044 14.065 ( 2.030 0.000 1.274) 2.396 14.128 ( 4.982 0.000 2.332) 5.501 14.219 ( -17.048 0.000 -12.962) 21.416 14.675 ( -2.685 0.000 5.622) 6.230 14.881 ( -3.010 0.000 -12.432) 12.792 15.239 ( -7.994 0.000 3.341) 8.664 15.342 ( -7.521 0.000 -1.844) 7.743 15.814 ( 3.933 0.000 6.083) 7.244 15.847 ( 1.537 0.000 1.133) 1.909 16.137 ( 1.249 0.000 5.791) 5.924 16.284 ( -3.806 0.000 -1.306) 4.023 16.527 ( -0.459 0.000 0.544) 0.712 16.564 ( -2.971 0.000 2.052) 3.611 16.665 ( 0.231 0.000 1.945) 1.958 16.685 ( -2.581 0.000 1.902) 3.206 17.062 ( 2.970 0.000 -2.290) 3.750 17.567 ( -0.030 0.000 -0.247) 0.248 17.602 ( -0.532 0.000 0.167) 0.558 17.959 ( -7.378 0.000 -6.416) 9.777 18.110 ( 0.336 0.000 0.270) 0.431 18.137 ( -0.954 0.000 -0.407) 1.038 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 28.274 0.000 6.146) 28.934 1.874 ( 30.373 0.000 -4.820) 30.753 2.555 ( 2.078 0.000 3.689) 4.234 2.865 ( -1.069 0.000 -4.592) 4.715 3.265 ( 7.144 0.000 -4.414) 8.397 3.341 ( 8.813 0.000 -0.640) 8.836 3.463 ( -5.228 0.000 -6.426) 8.284 3.575 ( 22.063 0.000 11.089) 24.693 3.682 ( -9.398 0.000 -2.933) 9.845 3.951 ( -7.176 0.000 -7.010) 10.031 4.004 ( -3.978 0.000 4.038) 5.668 4.337 ( -12.100 0.000 1.610) 12.207 4.376 ( -8.727 0.000 -2.086) 8.972 4.549 ( -9.518 0.000 0.235) 9.520 4.830 ( 26.862 0.000 -11.446) 29.199 5.011 ( 15.238 0.000 -10.782) 18.667 5.591 ( 9.433 0.000 13.798) 16.714 5.999 ( 19.480 0.000 11.819) 22.785 6.512 ( -22.987 0.000 -8.792) 24.611 6.557 ( -14.254 0.000 -6.758) 15.774 6.768 ( -21.572 0.000 -0.581) 21.580 6.776 ( -2.642 0.000 -5.545) 6.142 6.982 ( -7.957 0.000 -6.323) 10.163 7.193 ( 4.807 0.000 5.335) 7.182 7.320 ( -11.433 0.000 3.114) 11.849 7.537 ( -10.798 0.000 -0.209) 10.800 7.766 ( -0.117 0.000 -4.140) 4.142 7.961 ( -5.910 0.000 -0.151) 5.912 8.335 ( 6.667 0.000 2.831) 7.243 8.386 ( 4.836 0.000 2.558) 5.471 9.471 ( 6.044 0.000 0.690) 6.084 9.597 ( 1.463 0.000 5.652) 5.839 10.199 ( 7.367 0.000 1.148) 7.456 10.823 ( -11.712 0.000 0.892) 11.746 12.304 ( 7.695 0.000 0.493) 7.710 12.556 ( -3.204 0.000 -1.314) 3.463 12.603 ( 11.193 0.000 -2.943) 11.573 13.628 ( 15.391 0.000 -1.652) 15.479 13.756 ( -22.516 0.000 -10.057) 24.660 14.130 ( 8.356 0.000 5.972) 10.271 14.131 ( 3.697 0.000 -4.414) 5.758 14.248 ( 7.783 0.000 0.132) 7.784 14.605 ( -4.923 0.000 6.901) 8.477 14.780 ( -7.311 0.000 -9.788) 12.217 15.006 ( -11.490 0.000 4.568) 12.364 15.224 ( -7.247 0.000 3.140) 7.898 15.890 ( 2.977 0.000 1.669) 3.413 15.934 ( 7.639 0.000 6.000) 9.713 16.157 ( 0.636 0.000 5.436) 5.473 16.186 ( -6.050 0.000 2.226) 6.446 16.519 ( -1.668 0.000 3.233) 3.638 16.540 ( 1.623 0.000 -0.963) 1.887 16.619 ( -4.012 0.000 1.380) 4.243 16.657 ( -1.086 0.000 0.948) 1.442 17.161 ( 7.171 0.000 -3.459) 7.962 17.569 ( 0.157 0.000 -0.196) 0.251 17.591 ( -0.562 0.000 0.456) 0.724 17.774 ( -11.307 0.000 -3.853) 11.945 18.115 ( 0.132 0.000 0.060) 0.145 18.122 ( -0.557 0.000 -0.196) 0.591 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 21.726 0.000 4.686) 22.225 2.385 ( 22.821 0.000 -3.054) 23.024 2.524 ( -7.033 0.000 3.543) 7.875 2.732 ( -12.975 0.000 -3.536) 13.448 3.361 ( 5.923 0.000 -9.379) 11.092 3.408 ( 0.173 0.000 -3.809) 3.813 3.447 ( 1.096 0.000 -4.579) 4.708 3.495 ( -8.728 0.000 -2.785) 9.162 3.728 ( -0.456 0.000 -4.184) 4.209 3.833 ( -8.282 0.000 -1.217) 8.371 4.153 ( 15.800 0.000 11.321) 19.437 4.188 ( -2.556 0.000 -0.350) 2.580 4.229 ( -5.884 0.000 -1.745) 6.137 4.377 ( -8.953 0.000 5.708) 10.618 5.372 ( 29.047 0.000 -12.421) 31.591 5.418 ( 27.361 0.000 -11.805) 29.799 5.875 ( 16.276 0.000 9.558) 18.875 5.899 ( -24.087 0.000 -9.038) 25.727 6.005 ( -26.334 0.000 -9.514) 27.999 6.320 ( -24.083 0.000 5.247) 24.647 6.655 ( 18.392 0.000 5.452) 19.183 6.774 ( 1.825 0.000 -5.601) 5.891 6.858 ( -4.164 0.000 -4.643) 6.236 7.048 ( -16.852 0.000 7.354) 18.387 7.276 ( 4.043 0.000 3.790) 5.542 7.369 ( -6.445 0.000 1.819) 6.696 7.797 ( 2.985 0.000 -3.969) 4.966 7.868 ( -4.252 0.000 -3.091) 5.257 8.427 ( 2.868 0.000 2.553) 3.839 8.444 ( 1.140 0.000 2.524) 2.770 9.565 ( 3.620 0.000 2.976) 4.686 9.606 ( -0.721 0.000 4.620) 4.676 10.370 ( 10.456 0.000 1.756) 10.603 10.590 ( -12.273 0.000 1.615) 12.379 12.427 ( 4.942 0.000 -0.155) 4.945 12.499 ( -3.015 0.000 -0.824) 3.125 12.890 ( 18.721 0.000 -5.959) 19.647 13.301 ( -23.571 0.000 -8.902) 25.196 13.895 ( 13.089 0.000 -2.664) 13.357 14.107 ( -7.388 0.000 -4.770) 8.794 14.312 ( 9.704 0.000 8.409) 12.841 14.426 ( 9.956 0.000 -6.909) 12.118 14.482 ( -7.860 0.000 8.040) 11.244 14.612 ( -9.587 0.000 -9.192) 13.281 14.917 ( 2.929 0.000 9.230) 9.683 15.057 ( -9.512 0.000 7.508) 12.118 15.963 ( 4.699 0.000 2.443) 5.296 16.067 ( -6.064 0.000 2.980) 6.757 16.073 ( 6.117 0.000 5.128) 7.983 16.149 ( -1.854 0.000 5.107) 5.433 16.505 ( 0.515 0.000 2.996) 3.040 16.544 ( -3.394 0.000 1.834) 3.858 16.580 ( 2.402 0.000 -0.733) 2.511 16.625 ( -2.129 0.000 0.015) 2.129 17.330 ( 10.331 0.000 -3.091) 10.783 17.547 ( -12.014 0.000 -2.955) 12.372 17.573 ( 0.345 0.000 0.069) 0.352 17.581 ( -0.481 0.000 0.368) 0.606 18.115 ( -0.015 0.000 -0.117) 0.118 18.116 ( -0.119 0.000 -0.019) 0.121 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 18.301 26.902) 32.536 0.930 ( 0.000 21.106 27.029) 34.293 1.379 ( 0.000 42.138 27.666) 50.409 2.340 ( 0.000 -8.821 7.876) 11.826 2.956 ( 0.000 3.924 -3.968) 5.580 3.026 ( 0.000 -9.179 2.743) 9.580 3.428 ( 0.000 -1.505 1.294) 1.985 3.797 ( 0.000 3.050 -15.007) 15.313 3.923 ( 0.000 -4.353 -3.424) 5.539 3.972 ( 0.000 3.343 -2.491) 4.170 4.119 ( 0.000 -12.928 -3.409) 13.369 4.206 ( 0.000 -1.040 10.402) 10.454 4.724 ( 0.000 5.183 9.594) 10.904 4.781 ( 0.000 -0.326 11.206) 11.211 4.938 ( 0.000 -0.252 0.514) 0.573 5.139 ( 0.000 5.790 2.398) 6.267 5.207 ( 0.000 3.000 -11.746) 12.123 5.239 ( 0.000 6.978 4.932) 8.545 6.715 ( 0.000 -10.472 3.421) 11.017 6.918 ( 0.000 -0.916 -4.964) 5.048 7.239 ( 0.000 -1.821 -6.500) 6.750 7.256 ( 0.000 -11.961 -4.275) 12.702 7.336 ( 0.000 -2.981 -5.415) 6.181 7.460 ( 0.000 -7.396 -3.874) 8.349 7.592 ( 0.000 3.917 -15.689) 16.170 7.752 ( 0.000 -1.724 -3.991) 4.348 8.010 ( 0.000 -1.803 4.097) 4.476 8.047 ( 0.000 6.480 -10.385) 12.241 8.362 ( 0.000 10.121 2.284) 10.375 8.507 ( 0.000 7.664 15.503) 17.294 9.130 ( 0.000 -0.780 -10.532) 10.561 9.412 ( 0.000 -1.602 1.023) 1.901 10.119 ( 0.000 17.222 3.076) 17.495 11.308 ( 0.000 11.043 -3.177) 11.491 11.919 ( 0.000 -5.633 3.239) 6.498 12.443 ( 0.000 2.037 2.071) 2.905 12.663 ( 0.000 -0.813 1.356) 1.582 12.735 ( 0.000 -7.635 1.139) 7.719 13.787 ( 0.000 2.846 1.787) 3.361 14.003 ( 0.000 1.071 3.602) 3.757 14.160 ( 0.000 7.176 5.215) 8.870 14.572 ( 0.000 2.534 -5.647) 6.190 14.679 ( 0.000 -3.710 -9.145) 9.869 14.845 ( 0.000 4.578 -1.779) 4.911 15.244 ( 0.000 -0.103 1.494) 1.498 15.402 ( 0.000 -5.037 3.054) 5.891 15.845 ( 0.000 0.726 -0.437) 0.848 15.856 ( 0.000 -9.779 3.332) 10.331 16.019 ( 0.000 -7.279 7.299) 10.308 16.358 ( 0.000 2.309 -7.803) 8.138 16.601 ( 0.000 -1.149 -0.889) 1.453 16.604 ( 0.000 -0.663 4.074) 4.127 16.621 ( 0.000 0.264 0.661) 0.712 16.715 ( 0.000 1.540 0.477) 1.612 17.094 ( 0.000 -19.668 12.105) 23.094 17.257 ( 0.000 -6.239 -2.914) 6.886 17.602 ( 0.000 3.358 0.043) 3.358 18.083 ( 0.000 -1.922 0.407) 1.964 18.220 ( 0.000 5.651 -1.476) 5.840 18.420 ( 0.000 19.066 -24.302) 30.889 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 12.958 15.230 13.355) 24.046 1.145 ( 14.159 31.841 10.042) 36.265 1.923 ( 41.666 22.112 31.578) 56.764 2.375 ( 3.555 -7.543 6.517) 10.583 2.945 ( -1.551 -1.598 -3.888) 4.481 3.026 ( 2.110 -2.826 0.988) 3.663 3.436 ( -0.639 -3.710 -0.108) 3.766 3.769 ( -4.134 2.490 -11.320) 12.306 3.891 ( -3.924 -5.864 -3.327) 7.801 4.000 ( 2.645 2.798 -1.606) 4.172 4.073 ( 1.351 -6.252 -4.669) 7.919 4.243 ( 1.551 0.895 3.725) 4.133 4.652 ( -5.305 -2.956 4.627) 7.635 4.815 ( -3.267 3.369 0.024) 4.693 4.938 ( -6.830 16.671 -2.392) 18.174 5.040 ( 11.541 3.172 8.603) 14.740 5.148 ( -4.030 13.456 1.431) 14.119 5.388 ( 5.657 -9.193 6.708) 12.708 6.753 ( 2.929 -10.460 1.484) 10.964 6.880 ( -3.137 -0.769 -4.034) 5.168 7.139 ( -8.929 -4.522 -6.044) 11.692 7.197 ( -8.342 -4.405 -4.716) 10.547 7.247 ( -7.292 -6.215 -3.342) 10.147 7.422 ( -7.652 0.525 -8.588) 11.515 7.482 ( -4.732 -4.253 -2.726) 6.922 7.698 ( -4.079 -1.437 -6.826) 8.081 7.962 ( -6.269 -5.817 -0.443) 8.563 8.061 ( -0.406 -1.230 1.083) 1.689 8.318 ( -1.331 14.689 3.582) 15.178 8.424 ( -1.979 13.790 10.562) 17.483 9.205 ( 6.179 -0.702 -6.826) 9.234 9.485 ( 3.851 -3.451 1.503) 5.385 10.150 ( 3.444 16.633 2.125) 17.118 11.269 ( -4.424 11.444 -2.316) 12.486 11.990 ( 4.424 -7.406 0.289) 8.632 12.445 ( 0.715 2.234 1.273) 2.669 12.660 ( -3.481 -4.863 -0.074) 5.981 12.861 ( 15.964 -3.632 0.657) 16.385 13.822 ( 3.691 2.188 2.852) 5.152 14.033 ( 2.883 1.021 3.544) 4.681 14.154 ( -0.332 7.408 4.017) 8.434 14.502 ( -7.874 2.739 -10.268) 13.227 14.705 ( 0.366 -1.929 -3.293) 3.834 14.879 ( 1.964 1.281 -7.665) 8.016 15.248 ( 0.210 -1.925 1.702) 2.578 15.423 ( -0.170 -4.106 1.921) 4.537 15.763 ( -6.127 -7.545 3.514) 10.335 15.850 ( 0.474 0.922 -0.103) 1.042 16.026 ( 0.702 -7.858 7.114) 10.623 16.352 ( -0.804 2.565 -5.938) 6.518 16.559 ( -2.721 -0.380 2.928) 4.015 16.588 ( -2.037 -2.409 -0.302) 3.170 16.650 ( 1.299 -0.070 2.390) 2.721 16.722 ( 0.082 1.516 1.163) 1.913 16.995 ( -3.200 -8.451 3.564) 9.714 17.383 ( 6.332 -13.536 -0.261) 14.946 17.603 ( 0.067 3.437 0.000) 3.437 18.086 ( 0.289 -1.910 0.354) 1.964 18.173 ( -4.806 6.617 -3.159) 8.767 18.327 ( -6.848 13.831 -12.445) 19.825 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 31.258 7.478 -3.460) 32.325 1.491 ( 21.386 21.753 6.354) 31.160 2.460 ( 5.549 -4.237 4.244) 8.171 2.724 ( 34.739 13.952 18.350) 41.691 2.947 ( 6.481 -4.110 -0.904) 7.727 3.113 ( 6.534 -1.415 -0.248) 6.690 3.372 ( -5.719 -6.544 -1.851) 8.886 3.671 ( -4.631 4.160 -7.081) 9.428 3.790 ( -5.963 -5.236 -2.626) 8.358 4.038 ( -0.433 2.067 -0.062) 2.112 4.057 ( -5.049 -4.308 -5.664) 8.726 4.408 ( 17.157 2.646 -5.529) 18.219 4.555 ( -10.002 -2.356 -2.509) 10.577 4.726 ( -4.691 9.822 -4.424) 11.750 4.768 ( -2.910 10.657 -3.885) 11.710 5.003 ( -7.533 16.608 0.618) 18.247 5.451 ( 10.767 -4.258 13.323) 17.651 5.499 ( 19.801 -1.898 14.604) 24.677 6.743 ( -5.477 -4.961 -6.213) 9.654 6.810 ( -8.625 -2.263 -4.938) 10.193 6.934 ( -13.508 -2.076 -3.991) 14.237 6.996 ( -5.795 -6.958 -2.037) 9.282 7.090 ( -8.477 -6.132 0.199) 10.464 7.215 ( -10.877 3.473 -6.023) 12.910 7.425 ( -4.381 -5.809 -0.523) 7.295 7.620 ( -5.013 -4.830 -5.580) 8.921 7.771 ( -11.337 -7.940 -1.092) 13.884 7.972 ( -7.678 -9.397 3.801) 12.716 8.371 ( 5.848 15.390 3.239) 16.779 8.468 ( 4.742 16.072 3.081) 17.038 9.336 ( 7.061 -0.974 -2.542) 7.568 9.539 ( 2.405 -2.632 4.872) 6.037 10.234 ( 5.011 15.848 0.833) 16.642 11.142 ( -8.735 12.125 -0.926) 14.972 12.082 ( 5.790 -7.813 0.897) 9.766 12.491 ( 4.153 2.190 -1.372) 4.892 12.588 ( -3.017 -3.310 -0.231) 4.484 13.221 ( 19.462 -6.283 -1.446) 20.502 13.920 ( 5.941 0.903 4.771) 7.672 14.077 ( -1.265 0.198 0.572) 1.403 14.171 ( 2.885 5.789 1.020) 6.548 14.285 ( -11.851 6.590 -10.684) 17.263 14.690 ( -1.670 1.332 3.300) 3.931 14.871 ( -2.873 -0.628 -9.229) 9.686 15.201 ( -7.870 -3.562 3.730) 9.409 15.332 ( -6.394 -0.952 -1.564) 6.651 15.748 ( 4.355 -6.746 5.960) 10.000 15.868 ( 1.482 1.346 0.685) 2.117 16.044 ( 1.107 -8.887 6.533) 11.085 16.311 ( -3.801 2.778 -1.072) 4.828 16.506 ( -3.068 -3.647 2.195) 5.247 16.553 ( -0.537 0.300 -0.043) 0.617 16.652 ( -1.492 -1.094 2.773) 3.334 16.711 ( -0.734 2.364 1.096) 2.707 17.008 ( 3.569 -5.280 -2.215) 6.747 17.455 ( 1.665 -11.901 -0.130) 12.018 17.606 ( 0.277 3.665 -0.047) 3.676 18.043 ( -8.495 6.735 -4.413) 11.705 18.093 ( 0.396 -1.873 0.229) 1.928 18.217 ( -4.509 6.504 -3.041) 8.478 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 27.827 6.978 -0.061) 28.689 1.934 ( 24.319 8.405 0.971) 25.749 2.558 ( 4.033 -0.474 3.240) 5.195 2.896 ( -0.518 2.825 -5.877) 6.541 3.238 ( 2.830 -2.658 -3.351) 5.129 3.265 ( 0.408 -10.880 -0.935) 10.928 3.372 ( 11.001 -1.336 0.862) 11.115 3.597 ( -6.367 -2.320 -4.850) 8.333 3.766 ( 9.618 8.120 5.922) 13.911 3.913 ( -6.853 -2.561 -5.918) 9.410 3.989 ( -3.801 0.416 4.087) 5.597 4.311 ( -12.592 -1.664 0.154) 12.703 4.552 ( -7.613 16.523 -2.614) 18.380 4.775 ( -1.177 17.731 -2.453) 17.938 4.848 ( 21.622 4.101 -9.539) 23.986 5.021 ( 14.315 2.135 -9.086) 17.088 5.596 ( 10.995 1.287 13.820) 17.707 5.975 ( 20.953 -2.654 12.281) 24.431 6.467 ( -21.288 -3.968 -9.211) 23.532 6.535 ( -16.329 -2.429 -6.323) 17.678 6.749 ( -15.673 -1.058 -3.896) 16.185 6.789 ( -5.616 0.624 -3.768) 6.791 7.005 ( -7.337 0.644 -2.186) 7.683 7.116 ( 3.419 -6.865 2.936) 8.212 7.284 ( -10.545 -3.744 2.406) 11.446 7.438 ( -11.566 -8.582 0.172) 14.404 7.657 ( -1.395 -9.993 -3.885) 10.812 7.832 ( -6.310 -11.328 0.408) 12.973 8.490 ( 5.770 13.648 2.524) 15.031 8.556 ( 3.762 14.795 2.017) 15.398 9.462 ( 5.876 -1.360 0.693) 6.071 9.580 ( 1.670 -2.059 5.323) 5.946 10.345 ( 6.935 15.182 1.091) 16.727 10.946 ( -11.448 12.683 0.247) 17.087 12.208 ( 6.976 -9.220 0.471) 11.571 12.493 ( -3.363 -6.180 -2.089) 7.339 12.675 ( 11.570 6.064 -2.232) 13.252 13.564 ( 16.215 -6.710 -2.345) 17.704 13.787 ( -21.017 3.142 -9.324) 23.206 14.088 ( 8.157 -1.723 4.835) 9.638 14.212 ( 0.220 5.955 -4.166) 7.271 14.264 ( 5.374 2.064 1.345) 5.911 14.638 ( -3.839 2.733 3.852) 6.086 14.782 ( -6.030 0.440 -7.152) 9.365 14.990 ( -9.906 -1.386 5.438) 11.385 15.222 ( -6.655 -0.024 3.244) 7.404 15.867 ( 6.624 -5.500 4.628) 9.775 15.916 ( 4.036 0.920 2.710) 4.948 16.064 ( 0.842 -9.287 5.788) 10.975 16.213 ( -6.076 2.734 2.126) 6.993 16.454 ( -1.944 -5.451 2.936) 6.489 16.559 ( -0.507 -0.221 -0.748) 0.930 16.606 ( -1.690 0.464 1.611) 2.381 16.697 ( -0.971 3.286 0.684) 3.494 17.108 ( 6.612 -5.256 -3.142) 9.012 17.458 ( -1.409 -10.658 -0.305) 10.755 17.615 ( 0.713 4.265 -0.084) 4.325 17.865 ( -9.494 6.935 -2.911) 12.113 18.100 ( 0.343 -1.647 0.046) 1.683 18.152 ( -2.432 2.522 -0.856) 3.607 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 17.946 4.941 3.605) 18.960 2.373 ( 17.992 -0.508 -1.865) 18.096 2.583 ( -0.723 4.617 1.795) 5.006 2.773 ( -12.547 4.143 -3.229) 13.602 3.261 ( 5.099 -9.917 -4.759) 12.124 3.346 ( 0.066 -6.854 -5.985) 9.100 3.416 ( -0.375 -3.822 -5.648) 6.830 3.444 ( -6.019 -3.802 -2.866) 7.675 3.748 ( -2.302 3.029 -3.009) 4.850 3.818 ( -7.069 0.545 0.450) 7.104 4.087 ( 4.625 -1.172 4.619) 6.640 4.140 ( -4.583 -1.897 0.926) 5.046 4.528 ( 5.559 23.836 2.471) 24.600 4.659 ( -6.733 24.319 2.781) 25.387 5.366 ( 28.171 -0.356 -12.638) 30.878 5.431 ( 27.384 1.075 -11.498) 29.720 5.889 ( -0.011 0.343 2.990) 3.009 5.896 ( -7.508 1.395 -2.500) 8.035 6.001 ( -25.066 -0.676 -8.954) 26.626 6.329 ( -23.602 1.429 4.632) 24.095 6.608 ( 19.162 -4.986 5.996) 20.688 6.784 ( 1.320 0.894 -5.529) 5.754 6.881 ( -4.576 2.040 -3.553) 6.141 7.018 ( -16.558 -3.013 6.973) 18.217 7.189 ( 3.534 -8.932 3.392) 10.187 7.271 ( -5.842 -9.846 1.763) 11.584 7.668 ( 2.298 -11.523 -3.452) 12.247 7.733 ( -4.231 -12.186 -2.265) 13.097 8.576 ( 2.969 13.319 2.171) 13.817 8.599 ( 0.580 13.828 1.999) 13.984 9.553 ( 3.501 -1.609 2.915) 4.831 9.592 ( -0.594 -1.789 4.399) 4.786 10.507 ( 9.961 14.255 1.367) 17.444 10.719 ( -11.890 13.355 1.064) 17.912 12.332 ( 5.674 -9.400 -0.358) 10.985 12.423 ( -4.002 -7.884 -1.162) 8.917 12.962 ( 18.092 6.695 -5.659) 20.104 13.354 ( -22.419 5.372 -8.672) 24.631 13.862 ( 15.008 -4.177 -3.641) 15.998 14.121 ( -10.453 0.163 -5.554) 11.838 14.252 ( 7.798 -3.829 5.960) 10.535 14.341 ( 0.342 -3.284 1.666) 3.699 14.577 ( -0.131 4.824 0.186) 4.829 14.657 ( -6.549 3.105 -4.747) 8.664 14.931 ( 3.849 2.097 9.224) 10.213 15.069 ( -8.774 1.600 7.164) 11.439 15.972 ( 5.172 -1.015 2.737) 5.939 16.018 ( 5.056 -4.081 4.742) 8.044 16.061 ( -2.165 -7.280 4.939) 9.060 16.097 ( -5.116 1.234 3.106) 6.111 16.444 ( 1.153 -5.185 2.601) 5.915 16.497 ( -4.015 -3.635 1.534) 5.629 16.627 ( 2.263 3.590 -0.199) 4.249 16.669 ( -1.946 3.683 0.200) 4.170 17.252 ( 8.101 -7.032 -2.532) 11.022 17.392 ( -5.716 -9.854 -1.318) 11.468 17.639 ( 2.066 5.654 -0.271) 6.026 17.711 ( -5.983 7.450 -1.198) 9.630 18.107 ( 0.408 -1.066 -0.119) 1.148 18.120 ( -1.046 0.187 -0.326) 1.112 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 12.903 31.803) 34.321 1.392 ( 0.000 26.821 17.532) 32.042 2.090 ( 0.000 -16.961 10.495) 19.946 2.272 ( 0.000 45.380 6.654) 45.865 2.787 ( 0.000 -15.353 5.202) 16.210 3.094 ( 0.000 10.394 -1.725) 10.536 3.408 ( 0.000 -0.161 -1.211) 1.222 3.783 ( 0.000 -10.570 -4.060) 11.323 3.817 ( 0.000 -2.815 -9.349) 9.764 3.863 ( 0.000 -12.569 0.668) 12.587 4.075 ( 0.000 6.668 -1.455) 6.825 4.184 ( 0.000 -0.442 7.788) 7.801 4.637 ( 0.000 -5.866 8.039) 9.952 4.846 ( 0.000 -7.835 -3.257) 8.485 4.898 ( 0.000 6.850 8.153) 10.649 5.153 ( 0.000 -1.744 6.909) 7.126 5.379 ( 0.000 12.910 -8.166) 15.276 5.629 ( 0.000 28.891 1.790) 28.946 6.439 ( 0.000 -18.344 4.418) 18.869 6.895 ( 0.000 -1.131 -4.900) 5.029 7.009 ( 0.000 -12.749 -2.588) 13.009 7.207 ( 0.000 -1.280 -7.095) 7.210 7.261 ( 0.000 -7.014 -4.387) 8.273 7.303 ( 0.000 -9.449 -2.857) 9.872 7.614 ( 0.000 0.159 -14.912) 14.913 7.711 ( 0.000 -2.491 -5.900) 6.405 7.976 ( 0.000 -1.600 4.410) 4.691 8.040 ( 0.000 -3.842 -4.137) 5.646 8.574 ( 0.000 12.039 2.908) 12.385 8.744 ( 0.000 15.097 6.737) 16.532 9.086 ( 0.000 -4.220 -9.950) 10.808 9.356 ( 0.000 -4.602 3.730) 5.924 10.528 ( 0.000 24.674 1.459) 24.717 11.536 ( 0.000 6.975 -7.519) 10.256 11.808 ( 0.000 -0.970 6.324) 6.398 12.495 ( 0.000 3.350 2.100) 3.954 12.556 ( 0.000 -9.828 -0.630) 9.848 12.663 ( 0.000 -1.562 1.964) 2.509 13.856 ( 0.000 4.346 2.145) 4.846 14.022 ( 0.000 0.539 4.061) 4.097 14.364 ( 0.000 14.157 4.383) 14.820 14.629 ( 0.000 -1.434 -10.747) 10.843 14.634 ( 0.000 4.206 -6.501) 7.743 14.929 ( 0.000 4.518 3.353) 5.626 15.249 ( 0.000 0.525 -1.513) 1.601 15.306 ( 0.000 -5.593 3.189) 6.439 15.648 ( 0.000 -11.805 2.779) 12.127 15.668 ( 0.000 -17.896 3.063) 18.157 16.029 ( 0.000 7.366 3.586) 8.192 16.412 ( 0.000 3.307 -7.049) 7.786 16.570 ( 0.000 -3.634 1.770) 4.042 16.572 ( 0.000 -1.938 -2.408) 3.091 16.628 ( 0.000 0.447 1.541) 1.605 16.762 ( 0.000 3.327 1.339) 3.586 16.812 ( 0.000 -11.648 6.848) 13.512 17.117 ( 0.000 -8.079 -1.420) 8.203 17.689 ( 0.000 5.734 0.103) 5.735 18.026 ( 0.000 -4.192 0.321) 4.204 18.345 ( 0.000 7.104 -3.263) 7.818 18.584 ( 0.000 1.992 -15.014) 15.145 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 8.132 18.322 13.471) 24.151 1.631 ( 14.836 21.965 14.827) 30.371 2.147 ( 5.994 -16.059 7.729) 18.803 2.517 ( 23.615 33.656 11.708) 42.749 2.799 ( 1.844 -10.449 4.225) 11.421 3.090 ( -0.145 8.208 -2.107) 8.475 3.388 ( -2.485 -0.627 -1.104) 2.790 3.717 ( -4.156 -9.399 -5.074) 11.461 3.770 ( -3.959 -5.897 -1.519) 7.263 3.945 ( 5.518 -6.090 -6.544) 10.505 4.102 ( 2.156 6.498 -1.965) 7.123 4.258 ( 6.706 0.853 4.500) 8.121 4.588 ( -3.058 -3.340 1.145) 4.671 4.771 ( -5.715 -5.949 -2.345) 8.576 5.039 ( 13.238 1.567 11.511) 17.612 5.208 ( -1.496 -4.571 1.162) 4.948 5.344 ( 1.953 17.590 0.940) 17.723 5.592 ( -3.718 29.152 2.090) 29.462 6.480 ( 3.949 -18.363 3.602) 19.125 6.863 ( -2.702 -0.629 -4.624) 5.392 6.981 ( -3.451 -12.165 -3.136) 13.028 7.099 ( -10.073 -3.418 -6.810) 12.631 7.174 ( -9.651 -2.847 -4.791) 11.144 7.307 ( 0.827 -10.328 -1.711) 10.501 7.493 ( -11.020 1.802 -10.301) 15.192 7.649 ( -5.661 -3.207 -6.748) 9.374 7.875 ( -9.590 -3.232 -0.633) 10.140 7.969 ( -7.257 -6.103 2.838) 9.898 8.594 ( 2.346 14.030 2.139) 14.385 8.733 ( 0.867 16.996 4.688) 17.652 9.161 ( 6.155 -4.339 -6.330) 9.838 9.398 ( 3.279 -5.841 4.036) 7.820 10.556 ( 2.950 24.964 1.228) 25.167 11.532 ( -1.799 12.507 -6.333) 14.134 11.825 ( 1.835 -7.203 4.486) 8.682 12.485 ( -1.530 -1.841 -0.857) 2.543 12.545 ( 0.103 -3.683 1.487) 3.973 12.785 ( 11.954 -4.485 1.054) 12.811 13.878 ( 2.411 3.696 2.686) 5.166 14.047 ( 2.266 0.033 3.745) 4.378 14.356 ( -0.846 13.328 2.419) 13.572 14.582 ( -4.762 6.378 -10.016) 12.794 14.673 ( 2.722 -1.221 -7.119) 7.719 14.928 ( -0.895 3.810 2.075) 4.430 15.211 ( -2.612 -2.134 0.593) 3.424 15.351 ( 2.325 -3.714 1.466) 4.620 15.577 ( -5.374 -11.392 3.223) 13.001 15.686 ( 1.836 -17.414 3.216) 17.803 16.015 ( -1.381 6.282 3.783) 7.462 16.416 ( -0.094 4.037 -5.331) 6.688 16.498 ( -4.987 -5.694 1.045) 7.641 16.572 ( -0.998 -0.114 0.757) 1.258 16.645 ( 0.678 -0.356 1.884) 2.033 16.762 ( -0.287 1.640 0.971) 1.928 16.825 ( 2.257 -7.455 2.286) 8.117 17.164 ( 3.807 -10.296 -0.298) 10.982 17.691 ( 0.230 5.813 0.053) 5.817 18.029 ( 0.319 -4.179 0.274) 4.200 18.300 ( -4.633 6.813 -3.336) 8.888 18.485 ( -8.753 3.498 -10.914) 14.421 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 25.119 12.466 -1.505) 28.083 1.893 ( 13.389 19.536 7.439) 24.825 2.306 ( 10.066 -11.978 3.658) 16.068 2.821 ( 4.315 -10.059 1.430) 11.039 3.049 ( 15.511 13.940 3.735) 21.187 3.121 ( 10.317 5.571 1.540) 11.825 3.304 ( -5.893 0.638 0.057) 5.928 3.670 ( -6.373 -5.716 -1.420) 8.678 3.687 ( 3.049 -2.464 -1.819) 4.322 4.002 ( -0.916 -1.380 -4.693) 4.977 4.115 ( -1.784 5.943 -1.470) 6.377 4.439 ( 7.732 -0.936 -2.890) 8.308 4.524 ( -1.109 0.424 -6.094) 6.208 4.723 ( 5.118 -3.013 -3.894) 7.102 5.052 ( -9.515 10.297 -3.627) 14.482 5.392 ( 21.450 -3.127 13.933) 25.769 5.456 ( 0.560 22.849 4.074) 23.216 5.529 ( 4.173 15.505 9.526) 18.670 6.558 ( 2.287 -15.530 -0.483) 15.705 6.788 ( -9.726 -0.324 -6.263) 11.572 6.853 ( -7.349 -4.911 -3.047) 9.349 6.877 ( -11.410 -8.817 -4.494) 15.104 6.956 ( -9.843 -4.548 -1.903) 11.008 7.267 ( -10.865 2.654 -6.118) 12.749 7.317 ( -1.170 -7.007 -0.882) 7.159 7.518 ( -7.521 -6.682 -6.542) 12.001 7.623 ( -16.333 -5.806 -1.270) 17.380 7.789 ( -10.725 -9.419 3.985) 14.819 8.667 ( 5.035 15.347 2.254) 16.308 8.787 ( 3.974 16.994 2.408) 17.617 9.286 ( 6.575 -4.703 -1.955) 8.317 9.460 ( 3.115 -5.835 4.874) 8.216 10.630 ( 4.490 24.869 0.631) 25.279 11.442 ( -7.381 18.408 -3.090) 20.072 11.883 ( 4.264 -12.848 1.932) 13.674 12.422 ( -4.560 -9.386 -2.587) 10.752 12.609 ( 6.899 5.208 0.898) 8.690 13.070 ( 16.613 -9.260 -0.707) 19.033 13.948 ( 4.750 2.082 3.820) 6.441 14.069 ( -2.366 -0.949 0.601) 2.619 14.329 ( -1.726 9.997 -2.738) 10.508 14.460 ( -6.561 12.079 -7.401) 15.611 14.703 ( -0.008 -0.431 -3.155) 3.184 14.886 ( -3.156 2.814 -0.711) 4.287 15.126 ( -7.751 -4.079 3.642) 9.486 15.313 ( -4.407 -0.804 -0.340) 4.493 15.578 ( 5.488 -10.754 5.897) 13.436 15.734 ( 3.063 -16.401 3.857) 17.125 15.987 ( -1.099 4.336 3.853) 5.904 16.380 ( -3.960 3.688 -0.571) 5.441 16.401 ( -4.616 -6.285 2.574) 8.212 16.564 ( -0.106 0.076 -0.771) 0.782 16.636 ( -1.001 -0.063 2.077) 2.307 16.765 ( 0.602 3.111 0.094) 3.170 16.892 ( 4.374 -6.048 -1.278) 7.573 17.227 ( 2.340 -11.711 0.394) 11.949 17.699 ( 0.612 6.021 -0.055) 6.052 18.037 ( 0.535 -4.091 0.133) 4.129 18.172 ( -8.550 6.561 -3.666) 11.384 18.314 ( -8.071 3.202 -4.686) 9.867 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 25.558 6.595 -3.474) 26.623 2.157 ( 13.987 12.563 3.569) 19.136 2.500 ( 9.256 -6.063 2.359) 11.314 2.917 ( 6.254 -5.012 -3.385) 8.699 3.054 ( -6.960 -5.933 -3.563) 9.815 3.221 ( -0.116 1.224 0.060) 1.230 3.325 ( 1.188 -4.709 -5.133) 7.067 3.526 ( -8.685 -5.239 -1.919) 10.323 3.895 ( 8.659 4.664 1.419) 9.937 3.933 ( -1.681 5.412 -0.061) 5.668 4.037 ( -4.331 4.182 2.100) 6.376 4.277 ( -11.294 -2.215 -0.962) 11.549 4.850 ( 19.746 3.917 -10.626) 22.763 4.908 ( 11.804 12.210 -3.494) 17.339 5.005 ( 10.773 7.832 -8.276) 15.681 5.357 ( -5.520 31.093 1.258) 31.604 5.679 ( 12.302 8.406 12.948) 19.740 5.890 ( 23.814 -6.637 13.191) 28.021 6.387 ( -20.163 -4.496 -9.801) 22.865 6.479 ( -18.603 -3.014 -5.864) 19.737 6.709 ( -8.961 -6.004 -3.864) 11.458 6.767 ( -2.524 -6.763 -1.221) 7.321 6.876 ( 0.547 -6.285 3.430) 7.181 7.091 ( -6.876 1.369 -4.879) 8.542 7.203 ( -12.039 -3.111 1.859) 12.573 7.288 ( -15.935 -6.578 1.174) 17.279 7.428 ( -1.858 -14.261 -5.610) 15.437 7.594 ( -8.710 -12.733 1.585) 15.508 8.770 ( 5.239 15.233 2.261) 16.266 8.857 ( 2.884 16.353 1.915) 16.716 9.403 ( 5.503 -5.211 1.047) 7.651 9.511 ( 2.003 -5.452 4.603) 7.411 10.728 ( 6.056 24.341 0.580) 25.090 11.267 ( -10.493 20.500 -1.124) 23.057 11.981 ( 5.795 -14.893 0.532) 15.989 12.325 ( -5.460 -11.842 -2.125) 13.212 12.807 ( 13.554 7.963 -2.287) 15.886 13.393 ( 17.022 -10.943 -2.604) 20.403 13.863 ( -17.232 4.620 -7.576) 19.383 14.058 ( 5.299 -1.722 4.002) 6.860 14.330 ( 0.074 5.111 0.901) 5.190 14.355 ( -4.307 8.555 -6.147) 11.381 14.670 ( -3.147 0.290 -0.042) 3.160 14.793 ( -6.932 -0.364 -2.027) 7.231 14.991 ( -2.755 3.254 7.591) 8.707 15.237 ( -4.363 2.151 3.525) 6.007 15.706 ( 6.714 -11.065 4.809) 13.808 15.796 ( 3.072 -15.719 5.140) 16.821 15.987 ( 1.456 3.449 3.250) 4.958 16.282 ( -6.095 4.328 1.947) 7.725 16.331 ( -2.123 -7.122 2.997) 8.013 16.522 ( -4.317 -2.970 0.957) 5.327 16.652 ( 2.489 3.699 -0.636) 4.503 16.772 ( -0.234 4.688 0.460) 4.716 16.988 ( 5.657 -6.920 -2.360) 9.245 17.245 ( -0.620 -11.400 0.114) 11.418 17.717 ( 1.390 6.359 -0.196) 6.512 17.996 ( -8.971 6.638 -2.684) 11.478 18.050 ( 0.709 -3.665 -0.043) 3.733 18.188 ( -5.260 0.856 -1.736) 5.605 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 14.668 1.698 -0.995) 14.800 2.397 ( 9.640 5.135 1.465) 11.020 2.634 ( 5.937 -0.435 0.296) 5.960 2.842 ( -13.213 -0.174 -2.469) 13.443 3.065 ( 8.443 -7.017 -4.189) 11.750 3.214 ( -4.599 -4.930 -2.954) 7.360 3.313 ( 0.583 -6.190 -6.261) 8.824 3.372 ( -5.521 -4.570 -3.302) 7.891 3.835 ( -1.709 5.759 -1.449) 6.180 3.882 ( -5.708 5.539 0.822) 7.996 4.076 ( 1.462 -0.969 2.502) 3.056 4.117 ( -4.666 -1.176 0.843) 4.886 5.052 ( 9.273 30.371 0.444) 31.758 5.187 ( -3.443 28.939 -1.508) 29.182 5.369 ( 26.389 0.955 -12.351) 29.152 5.460 ( 24.633 3.825 -8.315) 26.278 5.878 ( -21.841 -0.655 -8.071) 23.294 5.977 ( -23.009 0.328 -6.068) 23.798 5.988 ( 14.406 6.101 7.303) 17.265 6.383 ( -19.237 3.548 2.993) 19.789 6.476 ( 19.104 -8.663 6.626) 21.998 6.783 ( -0.910 -3.103 -3.072) 4.461 6.857 ( -3.958 -10.158 2.943) 11.292 6.933 ( -13.149 -8.853 5.627) 16.820 7.019 ( -1.230 -2.238 -2.216) 3.381 7.056 ( -6.213 -8.919 1.696) 11.001 7.426 ( 1.207 -13.593 -3.726) 14.146 7.474 ( -4.051 -14.136 -1.728) 14.806 8.853 ( 3.218 15.325 2.159) 15.807 8.885 ( -0.076 15.766 2.021) 15.896 9.490 ( 3.365 -5.433 2.781) 6.969 9.527 ( -0.502 -5.408 3.821) 6.640 10.869 ( 8.791 23.281 0.484) 24.890 11.059 ( -10.787 21.923 -0.060) 24.433 12.098 ( 6.261 -15.394 -0.551) 16.627 12.215 ( -5.951 -14.106 -1.425) 15.376 13.113 ( 18.106 9.155 -5.462) 21.011 13.485 ( -20.285 8.290 -8.113) 23.367 13.725 ( 17.183 -10.032 -4.646) 20.432 14.028 ( -12.099 -8.807 -4.510) 15.629 14.283 ( 3.125 6.095 2.914) 7.444 14.352 ( -1.730 4.209 2.971) 5.435 14.624 ( -0.153 -0.065 1.529) 1.538 14.674 ( -4.782 -1.629 -0.395) 5.068 15.023 ( 4.786 8.114 7.458) 12.015 15.135 ( -6.120 5.903 6.022) 10.420 15.807 ( 3.480 -13.197 4.449) 14.355 15.834 ( 0.569 -14.859 5.386) 15.816 16.048 ( 4.726 3.673 2.768) 6.595 16.158 ( -6.472 4.237 2.614) 8.166 16.337 ( 2.802 -5.895 2.572) 7.016 16.423 ( -5.486 -4.263 1.795) 7.176 16.706 ( 2.847 4.916 -0.504) 5.703 16.752 ( -1.807 5.219 0.158) 5.525 17.102 ( 5.957 -8.477 -1.914) 10.536 17.201 ( -3.973 -10.259 -0.828) 11.033 17.758 ( 3.151 6.818 -0.509) 7.528 17.847 ( -6.280 7.041 -1.313) 9.526 18.070 ( 1.423 -2.976 -0.302) 3.312 18.110 ( -2.944 -1.437 -0.738) 3.358 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 16.566 24.073) 29.222 1.746 ( 0.000 -18.748 16.288) 24.835 1.899 ( 0.000 26.676 12.044) 29.269 2.370 ( 0.000 -22.778 8.130) 24.186 3.060 ( 0.000 30.735 -0.889) 30.748 3.294 ( 0.000 7.349 -3.964) 8.350 3.443 ( 0.000 5.091 -1.173) 5.224 3.592 ( 0.000 -7.758 -4.384) 8.912 3.636 ( 0.000 -11.941 3.568) 12.463 3.657 ( 0.000 -12.747 -0.834) 12.774 4.187 ( 0.000 3.909 1.333) 4.130 4.201 ( 0.000 1.425 3.591) 3.863 4.583 ( 0.000 1.125 -0.639) 1.294 4.684 ( 0.000 -8.424 -3.686) 9.195 5.014 ( 0.000 5.557 7.680) 9.480 5.102 ( 0.000 -3.706 7.239) 8.133 5.664 ( 0.000 17.614 -1.077) 17.647 6.013 ( 0.000 -14.821 0.566) 14.831 6.255 ( 0.000 24.874 4.444) 25.268 6.737 ( 0.000 -19.891 1.955) 19.987 6.896 ( 0.000 1.983 -5.763) 6.095 7.011 ( 0.000 -11.897 -6.125) 13.381 7.198 ( 0.000 0.376 -6.795) 6.805 7.223 ( 0.000 -2.345 -6.079) 6.515 7.629 ( 0.000 1.478 -10.690) 10.792 7.665 ( 0.000 -2.286 -7.918) 8.241 7.958 ( 0.000 -0.152 3.550) 3.553 7.976 ( 0.000 -2.292 1.227) 2.600 8.791 ( 0.000 10.819 -2.302) 11.061 8.970 ( 0.000 -8.090 -6.716) 10.515 9.018 ( 0.000 13.453 5.062) 14.374 9.230 ( 0.000 -9.038 4.599) 10.141 10.988 ( 0.000 23.503 0.059) 23.503 11.378 ( 0.000 -17.430 -2.033) 17.549 12.030 ( 0.000 17.294 0.287) 17.297 12.332 ( 0.000 -14.226 -1.183) 14.276 12.561 ( 0.000 3.595 2.024) 4.125 12.623 ( 0.000 -2.801 1.931) 3.402 13.941 ( 0.000 4.432 2.632) 5.154 14.007 ( 0.000 -2.337 3.596) 4.288 14.591 ( 0.000 5.677 -2.442) 6.180 14.623 ( 0.000 0.155 -9.385) 9.387 14.803 ( 0.000 17.252 -3.183) 17.543 15.025 ( 0.000 5.742 7.048) 9.091 15.178 ( 0.000 -8.031 6.319) 10.219 15.181 ( 0.000 -14.927 -3.522) 15.337 15.380 ( 0.000 -3.660 3.555) 5.102 15.453 ( 0.000 -8.056 0.326) 8.063 16.209 ( 0.000 11.250 1.717) 11.381 16.428 ( 0.000 -11.089 0.446) 11.098 16.475 ( 0.000 3.182 -5.115) 6.024 16.530 ( 0.000 -2.599 -3.883) 4.672 16.640 ( 0.000 0.925 2.327) 2.504 16.673 ( 0.000 -3.319 3.933) 5.147 16.847 ( 0.000 5.573 1.415) 5.749 16.970 ( 0.000 -7.419 0.146) 7.420 17.808 ( 0.000 6.668 0.161) 6.670 17.929 ( 0.000 -6.046 0.230) 6.051 18.471 ( 0.000 6.057 -5.635) 8.273 18.562 ( 0.000 -3.484 -9.072) 9.718 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 7.605 18.580 13.223) 24.040 1.810 ( 7.045 -18.670 10.484) 22.541 2.039 ( 11.447 21.654 11.751) 27.166 2.436 ( 6.022 -19.912 7.546) 22.129 3.146 ( 7.100 20.885 -1.410) 22.104 3.254 ( -3.710 6.289 -5.019) 8.860 3.435 ( -1.365 5.939 0.653) 6.129 3.586 ( 2.382 -2.373 -2.965) 4.482 3.605 ( -2.005 -8.044 4.038) 9.222 3.783 ( 9.743 -12.392 -1.692) 15.854 4.223 ( 3.246 5.341 -0.927) 6.319 4.273 ( 6.694 -0.041 1.414) 6.842 4.555 ( -2.041 1.003 -2.248) 3.198 4.640 ( -3.687 -7.037 -2.981) 8.485 5.075 ( 6.351 2.373 9.210) 11.436 5.129 ( 1.977 -3.415 6.336) 7.464 5.693 ( 3.363 19.517 1.489) 19.860 6.057 ( 4.177 -11.522 1.037) 12.299 6.216 ( -3.730 21.152 4.216) 21.888 6.694 ( -4.251 -20.477 1.522) 20.969 6.881 ( -1.534 2.854 -6.346) 7.125 6.993 ( -3.750 -8.685 -8.309) 12.591 7.132 ( -7.424 -1.303 -5.141) 9.123 7.144 ( -5.483 -3.335 -4.549) 7.867 7.536 ( -8.988 2.746 -8.651) 12.773 7.591 ( -7.234 -3.030 -7.320) 10.728 7.845 ( -10.638 0.003 0.885) 10.674 7.877 ( -9.677 -3.436 2.854) 10.658 8.835 ( 4.140 11.641 -1.277) 12.421 8.994 ( 2.628 2.717 -2.282) 4.415 9.070 ( 4.714 2.646 2.199) 5.836 9.258 ( 2.598 -9.415 4.623) 10.806 11.025 ( 3.552 24.132 -0.061) 24.392 11.426 ( 4.376 -17.872 -2.214) 18.532 11.986 ( -4.529 17.394 0.129) 17.975 12.291 ( -4.036 -14.314 -1.553) 14.952 12.600 ( 4.218 4.844 1.834) 6.680 12.695 ( 7.353 -5.097 1.403) 9.056 13.954 ( 1.454 4.182 2.672) 5.171 14.022 ( 1.360 -2.729 3.197) 4.418 14.566 ( -2.026 7.246 -5.180) 9.134 14.647 ( 1.142 -2.180 -7.673) 8.058 14.802 ( -0.570 17.509 -3.727) 17.910 15.023 ( -1.376 5.106 4.865) 7.185 15.129 ( -2.463 -7.568 1.075) 8.031 15.251 ( 4.712 -11.179 3.244) 12.558 15.375 ( -0.681 -7.569 4.364) 8.764 15.396 ( -3.987 -6.518 1.414) 7.770 16.170 ( -3.455 9.669 2.034) 10.468 16.355 ( -5.535 -9.389 1.275) 10.973 16.495 ( 1.034 4.201 -4.017) 5.904 16.557 ( 0.599 -1.959 -1.297) 2.424 16.643 ( 0.324 0.335 1.560) 1.628 16.678 ( 1.607 -4.267 0.511) 4.588 16.861 ( 1.290 5.673 1.787) 6.086 16.991 ( 1.960 -8.185 0.684) 8.444 17.811 ( 0.331 6.699 0.114) 6.708 17.932 ( 0.346 -6.043 0.184) 6.056 18.416 ( -5.449 5.340 -5.099) 9.177 18.490 ( -6.925 -2.285 -7.578) 10.517 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 18.977 15.114 1.170) 24.289 2.014 ( 13.543 -14.448 1.821) 19.887 2.256 ( 10.783 16.115 7.993) 20.973 2.567 ( 7.104 -16.009 5.068) 18.233 3.170 ( -4.572 4.776 -6.687) 9.404 3.227 ( 0.410 0.214 -5.775) 5.794 3.380 ( -4.036 5.352 1.672) 6.909 3.523 ( -5.061 -9.017 1.738) 10.485 3.782 ( 14.560 11.584 3.316) 18.899 3.955 ( 6.345 -5.297 -1.828) 8.465 4.243 ( -2.945 7.165 -2.570) 8.162 4.367 ( -2.591 -5.744 -3.137) 7.038 4.574 ( 8.923 3.852 -5.501) 11.168 4.652 ( 8.154 -4.295 -4.489) 10.251 5.169 ( 4.268 5.332 5.979) 9.077 5.287 ( 16.131 -6.717 11.940) 21.163 5.793 ( 6.708 20.194 5.922) 22.088 6.081 ( -4.792 29.102 1.026) 29.512 6.199 ( 4.760 -19.524 3.810) 20.454 6.590 ( -6.437 -21.184 0.197) 22.141 6.790 ( -13.222 0.326 -7.561) 15.235 6.803 ( -12.748 -1.256 -7.040) 14.616 6.960 ( -5.489 4.152 -3.722) 7.824 7.115 ( 0.711 -11.933 -3.864) 12.563 7.332 ( -11.270 4.122 -6.280) 13.544 7.413 ( -10.782 -4.465 -6.110) 13.172 7.581 ( -16.575 0.836 0.901) 16.621 7.644 ( -13.839 -5.756 3.055) 15.297 8.931 ( 5.553 12.628 0.527) 13.805 9.064 ( 4.224 8.877 0.136) 9.831 9.171 ( 5.415 -4.146 2.152) 7.151 9.318 ( 3.350 -9.476 4.386) 10.966 11.106 ( 4.601 24.839 -0.179) 25.262 11.519 ( 4.951 -17.647 -2.151) 18.454 11.866 ( -7.679 17.411 0.169) 19.030 12.188 ( -6.494 -15.345 -1.903) 16.771 12.732 ( 9.837 7.717 0.315) 12.507 12.893 ( 13.012 -9.301 -0.145) 15.995 13.994 ( 2.426 2.675 2.653) 4.481 14.040 ( -0.422 -2.107 1.467) 2.602 14.509 ( -4.040 8.578 -6.812) 11.675 14.622 ( -4.870 -2.007 -9.817) 11.141 14.756 ( -4.011 11.630 -0.317) 12.306 14.928 ( -8.524 -2.979 -1.826) 9.213 15.102 ( 0.285 6.084 7.349) 9.544 15.317 ( -0.980 1.351 2.311) 2.851 15.353 ( 5.323 -14.939 4.473) 16.477 15.425 ( 3.917 -11.317 6.345) 13.553 16.103 ( -2.996 7.407 2.648) 8.418 16.252 ( -4.678 -8.264 2.438) 9.804 16.469 ( -3.727 4.462 0.329) 5.823 16.538 ( -2.786 -2.726 0.531) 3.933 16.665 ( 2.756 3.119 -1.044) 4.291 16.745 ( 4.532 -4.909 -3.022) 7.333 16.888 ( 1.311 5.656 2.021) 6.148 17.030 ( 1.749 -9.225 1.146) 9.459 17.821 ( 0.755 6.749 -0.013) 6.792 17.942 ( 0.695 -5.982 0.049) 6.023 18.277 ( -8.653 4.474 -3.996) 10.529 18.332 ( -8.803 -1.188 -4.544) 9.978 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 20.081 9.156 -2.171) 22.177 2.284 ( 13.567 -6.044 -2.017) 14.989 2.448 ( 8.949 8.920 5.033) 13.601 2.689 ( 4.841 -14.382 1.920) 15.296 3.089 ( -3.334 5.242 -7.337) 9.614 3.201 ( -1.897 -6.050 -7.279) 9.654 3.297 ( -4.452 4.668 1.101) 6.544 3.408 ( -6.824 -6.676 0.159) 9.548 3.980 ( 0.631 3.759 -1.238) 4.008 4.007 ( 3.047 1.311 0.964) 3.455 4.129 ( -7.487 5.339 -0.148) 9.197 4.220 ( -9.227 -4.022 -0.876) 10.104 4.896 ( 22.015 2.369 -10.988) 24.718 4.938 ( 20.682 -1.853 -10.562) 23.297 5.357 ( 15.701 20.699 6.180) 26.705 5.682 ( 23.332 -12.792 10.944) 28.771 5.932 ( 7.592 16.545 8.718) 20.184 5.969 ( -5.373 30.106 0.529) 30.586 6.249 ( -5.863 -13.164 -2.959) 14.712 6.416 ( -13.264 -10.757 -4.008) 17.542 6.479 ( -12.975 -6.548 -2.505) 14.748 6.560 ( -8.909 -12.037 2.130) 15.126 6.917 ( -2.535 6.718 -5.634) 9.127 7.074 ( -13.214 -5.780 -6.220) 15.707 7.155 ( -2.932 -4.540 -1.376) 5.577 7.187 ( -11.332 -4.639 -2.609) 12.520 7.259 ( -13.912 3.797 1.429) 14.491 7.389 ( -11.187 -9.101 1.587) 14.508 9.038 ( 5.378 13.067 1.698) 14.232 9.137 ( 2.964 12.162 1.568) 12.615 9.269 ( 4.719 -8.063 2.511) 9.674 9.372 ( 2.017 -9.458 3.787) 10.386 11.201 ( 5.582 25.032 -0.137) 25.647 11.602 ( 2.057 -6.453 -3.161) 7.474 11.715 ( -6.036 7.133 1.530) 9.469 12.050 ( -7.755 -17.370 -1.780) 19.106 12.975 ( 15.251 9.979 -2.387) 18.381 13.178 ( 16.516 -11.562 -2.481) 20.313 13.948 ( -10.533 4.266 -4.188) 12.111 14.016 ( -1.996 -2.915 0.260) 3.542 14.436 ( -2.673 5.530 -2.709) 6.713 14.482 ( -6.672 2.617 -7.841) 10.623 14.674 ( -4.782 1.692 3.851) 6.369 14.744 ( -9.073 -4.268 1.306) 10.112 15.147 ( 3.831 12.969 6.498) 15.003 15.320 ( 0.134 6.696 4.106) 7.856 15.447 ( 4.342 -16.622 4.712) 17.814 15.509 ( 3.978 -12.406 5.992) 14.340 16.076 ( 0.567 5.664 2.800) 6.344 16.195 ( -0.879 -6.954 2.826) 7.557 16.372 ( -6.115 4.805 1.781) 7.978 16.456 ( -5.510 -4.065 1.471) 7.004 16.736 ( 4.120 5.220 -1.776) 6.883 16.835 ( 4.504 -3.295 -2.707) 6.202 16.905 ( 0.517 3.705 1.311) 3.964 17.047 ( -0.178 -9.496 0.726) 9.525 17.842 ( 1.528 6.721 -0.207) 6.896 17.960 ( 1.242 -5.710 -0.172) 5.846 18.108 ( -8.453 4.924 -2.532) 10.105 18.176 ( -7.254 -2.193 -2.273) 7.911 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 11.919 4.499 -0.898) 12.771 2.497 ( 7.095 3.778 -1.496) 8.177 2.575 ( 4.838 -2.396 1.356) 5.566 2.700 ( -4.600 -10.534 -0.663) 11.514 3.085 ( 3.742 5.337 -5.531) 8.549 3.194 ( -0.762 -3.796 -4.641) 6.043 3.201 ( -3.444 0.261 -3.557) 4.957 3.278 ( -6.006 -5.071 -2.703) 8.312 3.947 ( -0.704 5.709 -0.297) 5.760 3.992 ( -5.175 5.573 0.884) 7.656 4.035 ( -0.090 -3.436 0.888) 3.550 4.078 ( -4.931 -3.291 1.002) 6.012 5.359 ( 24.895 2.374 -13.259) 28.305 5.384 ( 24.414 -0.436 -13.279) 27.795 5.663 ( 6.342 25.249 -2.020) 26.111 5.805 ( -2.529 19.563 -3.204) 19.984 5.865 ( -22.237 0.718 -9.604) 24.233 6.036 ( -13.844 14.043 3.716) 20.067 6.161 ( 13.198 5.137 7.517) 16.034 6.235 ( 19.389 -10.752 5.591) 22.865 6.417 ( -6.362 -9.256 3.807) 11.859 6.480 ( 4.330 -21.898 5.142) 22.907 6.674 ( -19.906 -6.636 4.722) 21.508 6.732 ( -20.403 -6.283 1.273) 21.387 7.043 ( -0.144 4.679 -1.318) 4.863 7.089 ( -4.461 6.431 -3.074) 8.409 7.190 ( 1.774 -10.621 -3.179) 11.227 7.245 ( -4.495 -10.157 -2.245) 11.332 9.126 ( 3.520 13.414 2.314) 14.060 9.164 ( -0.326 13.539 2.384) 13.751 9.347 ( 3.255 -9.735 2.672) 10.607 9.386 ( -0.673 -9.710 3.149) 10.230 11.328 ( 7.707 24.552 -0.319) 25.735 11.491 ( -9.064 23.057 -1.074) 24.798 11.759 ( 6.477 -20.637 -0.471) 21.634 11.899 ( -7.856 -19.572 -1.340) 21.132 13.300 ( 18.393 10.824 -5.248) 21.978 13.513 ( 18.126 -11.628 -5.060) 22.122 13.658 ( -18.122 9.645 -6.946) 21.672 13.846 ( -15.156 -10.205 -5.628) 19.119 14.418 ( 2.363 7.190 2.634) 8.014 14.458 ( 0.484 5.160 1.725) 5.462 14.580 ( -3.410 -3.499 4.392) 6.570 14.610 ( -5.048 -4.629 2.273) 7.216 15.228 ( 4.289 13.565 5.662) 15.312 15.297 ( -2.597 11.376 5.105) 12.736 15.518 ( 2.939 -16.608 4.836) 17.546 15.549 ( 0.037 -14.871 5.219) 15.760 16.130 ( 4.878 4.936 2.631) 7.422 16.229 ( 4.275 -5.546 2.589) 7.466 16.246 ( -6.725 4.923 2.337) 8.656 16.338 ( -6.455 -4.802 2.061) 8.305 16.812 ( 3.648 6.411 -0.962) 7.439 16.866 ( -1.590 6.816 -0.183) 7.001 16.949 ( 4.141 -7.577 -1.225) 8.721 17.019 ( -2.772 -8.985 -0.323) 9.408 17.885 ( 3.144 6.488 -0.549) 7.230 17.969 ( -5.647 5.709 -1.298) 8.135 17.995 ( 2.274 -4.911 -0.448) 5.431 18.061 ( -4.679 -3.838 -1.079) 6.147 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 0.000 20.651) 20.651 1.365 ( 0.000 0.000 32.888) 32.888 2.054 ( 0.000 0.000 50.089) 50.089 2.599 ( 0.000 0.000 10.401) 10.401 2.794 ( 0.000 0.000 -7.183) 7.183 3.163 ( 0.000 0.000 2.208) 2.208 3.393 ( 0.000 0.000 -20.560) 20.560 3.522 ( 0.000 0.000 4.898) 4.898 3.840 ( 0.000 0.000 -6.839) 6.839 3.857 ( 0.000 0.000 -6.177) 6.177 4.111 ( 0.000 0.000 -10.150) 10.150 4.466 ( 0.000 0.000 15.810) 15.810 4.617 ( 0.000 0.000 -0.811) 0.811 4.979 ( 0.000 0.000 -7.441) 7.441 5.009 ( 0.000 0.000 17.274) 17.274 5.009 ( 0.000 0.000 5.071) 5.071 5.170 ( 0.000 0.000 -5.259) 5.259 5.404 ( 0.000 0.000 12.879) 12.879 6.792 ( 0.000 0.000 -7.118) 7.118 6.835 ( 0.000 0.000 -5.723) 5.723 7.153 ( 0.000 0.000 -1.825) 1.825 7.154 ( 0.000 0.000 -13.018) 13.018 7.232 ( 0.000 0.000 -5.756) 5.756 7.321 ( 0.000 0.000 -14.560) 14.560 7.544 ( 0.000 0.000 -1.816) 1.816 7.658 ( 0.000 0.000 -8.407) 8.407 7.937 ( 0.000 0.000 7.749) 7.749 8.123 ( 0.000 0.000 5.416) 5.416 8.181 ( 0.000 0.000 -4.481) 4.481 8.799 ( 0.000 0.000 15.231) 15.231 8.878 ( 0.000 0.000 -15.683) 15.683 9.406 ( 0.000 0.000 -1.188) 1.188 10.066 ( 0.000 0.000 8.244) 8.244 11.138 ( 0.000 0.000 -4.738) 4.738 12.049 ( 0.000 0.000 5.249) 5.249 12.495 ( 0.000 0.000 5.907) 5.907 12.718 ( 0.000 0.000 3.554) 3.554 12.774 ( 0.000 0.000 -3.640) 3.640 13.802 ( 0.000 0.000 3.184) 3.184 14.030 ( 0.000 0.000 -1.306) 1.306 14.245 ( 0.000 0.000 9.740) 9.740 14.390 ( 0.000 0.000 -11.163) 11.163 14.614 ( 0.000 0.000 -3.900) 3.900 14.667 ( 0.000 0.000 -6.526) 6.526 15.265 ( 0.000 0.000 -0.676) 0.676 15.484 ( 0.000 0.000 -1.033) 1.033 15.844 ( 0.000 0.000 1.360) 1.360 15.968 ( 0.000 0.000 1.115) 1.115 16.184 ( 0.000 0.000 -7.297) 7.297 16.255 ( 0.000 0.000 8.470) 8.470 16.583 ( 0.000 0.000 -1.376) 1.376 16.657 ( 0.000 0.000 2.765) 2.765 16.693 ( 0.000 0.000 3.679) 3.679 16.698 ( 0.000 0.000 -0.084) 0.084 17.225 ( 0.000 0.000 -6.168) 6.168 17.570 ( 0.000 0.000 -0.050) 0.050 17.598 ( 0.000 0.000 -0.891) 0.891 17.728 ( 0.000 0.000 -7.705) 7.705 18.113 ( 0.000 0.000 0.678) 0.678 18.147 ( 0.000 0.000 -0.836) 0.836 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 18.528 0.000 17.365) 25.394 1.133 ( -7.947 0.000 31.936) 32.909 2.523 ( 34.096 0.000 40.826) 53.191 2.603 ( 0.547 0.000 9.952) 9.967 2.804 ( 1.650 0.000 -7.716) 7.890 3.113 ( -2.587 0.000 2.662) 3.712 3.397 ( -0.266 0.000 -19.247) 19.249 3.509 ( -1.909 0.000 1.649) 2.523 3.836 ( -2.219 0.000 -6.552) 6.917 3.918 ( 6.425 0.000 -4.542) 7.868 4.067 ( -4.400 0.000 -9.841) 10.780 4.307 ( -8.447 0.000 11.722) 14.448 4.606 ( -3.777 0.000 -2.021) 4.284 4.802 ( -15.922 0.000 1.501) 15.993 4.845 ( -8.489 0.000 2.983) 8.998 4.971 ( -7.183 0.000 -4.228) 8.335 5.373 ( 24.597 0.000 20.224) 31.844 5.600 ( 8.469 0.000 6.484) 10.667 6.749 ( -3.921 0.000 -7.167) 8.169 6.823 ( -2.897 0.000 -9.652) 10.078 7.050 ( -11.703 0.000 -13.777) 18.077 7.131 ( -2.195 0.000 -0.512) 2.254 7.168 ( -5.978 0.000 -5.756) 8.299 7.253 ( -5.689 0.000 -9.408) 10.995 7.560 ( -5.768 0.000 -4.870) 7.549 7.561 ( 1.512 0.000 -2.732) 3.123 8.070 ( -10.159 0.000 -2.767) 10.529 8.075 ( 10.309 0.000 5.598) 11.730 8.189 ( 6.121 0.000 4.302) 7.481 8.482 ( -18.438 0.000 1.490) 18.498 9.127 ( 12.867 0.000 0.045) 12.867 9.497 ( 7.274 0.000 -1.899) 7.518 10.078 ( 1.507 0.000 7.478) 7.629 11.110 ( -3.234 0.000 -3.906) 5.071 12.090 ( 3.905 0.000 3.849) 5.483 12.476 ( -1.550 0.000 4.507) 4.766 12.691 ( -4.456 0.000 -1.552) 4.718 12.897 ( 14.089 0.000 0.080) 14.089 13.880 ( 7.625 0.000 5.289) 9.280 14.060 ( 2.904 0.000 -2.164) 3.622 14.201 ( -3.957 0.000 8.140) 9.051 14.238 ( -13.670 0.000 -14.634) 20.026 14.670 ( 4.223 0.000 -4.264) 6.001 14.717 ( 3.169 0.000 -2.328) 3.932 15.270 ( 0.458 0.000 -1.043) 1.139 15.451 ( -5.201 0.000 -3.893) 6.496 15.851 ( 0.790 0.000 1.497) 1.693 15.920 ( -1.922 0.000 5.576) 5.898 16.204 ( 1.880 0.000 -6.300) 6.575 16.267 ( 1.027 0.000 9.029) 9.087 16.587 ( 0.004 0.000 -1.970) 1.970 16.619 ( -3.038 0.000 3.234) 4.437 16.706 ( 0.510 0.000 2.838) 2.884 16.724 ( 2.150 0.000 0.949) 2.350 17.100 ( -8.485 0.000 -2.139) 8.750 17.567 ( -0.245 0.000 -0.124) 0.275 17.601 ( 0.259 0.000 -0.546) 0.605 17.804 ( 3.730 0.000 -10.912) 11.532 18.114 ( 0.090 0.000 0.577) 0.584 18.141 ( -0.571 0.000 -0.736) 0.931 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 22.503 0.000 11.960) 25.484 1.412 ( 25.601 0.000 13.372) 28.882 2.625 ( 1.756 0.000 8.567) 8.745 2.759 ( -0.741 0.000 -5.371) 5.422 3.121 ( 5.157 0.000 1.010) 5.255 3.202 ( 21.385 0.000 19.905) 29.215 3.361 ( -3.248 0.000 -14.164) 14.532 3.490 ( 6.691 0.000 5.916) 8.931 3.756 ( -6.516 0.000 -6.162) 8.968 3.915 ( -8.223 0.000 -11.877) 14.446 4.057 ( 4.193 0.000 0.890) 4.286 4.298 ( 8.540 0.000 0.358) 8.548 4.486 ( -7.970 0.000 -3.100) 8.552 4.600 ( -5.110 0.000 -1.596) 5.354 4.639 ( -12.923 0.000 1.558) 13.017 4.846 ( -5.081 0.000 -2.522) 5.673 5.704 ( 4.184 0.000 8.935) 9.866 5.868 ( 25.431 0.000 19.823) 32.244 6.664 ( -13.990 0.000 -13.223) 19.250 6.667 ( -5.026 0.000 -4.953) 7.057 6.736 ( -18.793 0.000 -17.552) 25.715 6.996 ( -12.066 0.000 -7.884) 14.414 7.011 ( -9.638 0.000 -7.164) 12.009 7.234 ( 3.845 0.000 5.941) 7.077 7.483 ( -3.357 0.000 -0.912) 3.479 7.578 ( -0.731 0.000 -4.260) 4.323 7.854 ( -10.861 0.000 -0.454) 10.870 8.154 ( -15.339 0.000 -1.714) 15.434 8.263 ( 8.830 0.000 4.990) 10.143 8.324 ( 7.277 0.000 3.256) 7.972 9.351 ( 10.610 0.000 3.379) 11.135 9.627 ( 5.804 0.000 1.697) 6.047 10.130 ( 4.053 0.000 5.166) 6.566 11.008 ( -7.322 0.000 -1.777) 7.534 12.191 ( 6.495 0.000 2.809) 7.076 12.466 ( 1.287 0.000 1.492) 1.971 12.599 ( -4.464 0.000 -1.537) 4.721 13.224 ( 18.253 0.000 -3.858) 18.657 13.907 ( -18.892 0.000 -14.728) 23.954 14.077 ( 10.873 0.000 7.101) 12.987 14.080 ( -3.508 0.000 -4.625) 5.805 14.173 ( 4.132 0.000 5.657) 7.006 14.720 ( 0.301 0.000 -2.745) 2.761 14.753 ( 0.405 0.000 2.354) 2.389 15.251 ( -7.829 0.000 -2.088) 8.102 15.294 ( -4.526 0.000 -2.758) 5.300 15.878 ( 2.134 0.000 2.043) 2.954 15.957 ( 4.996 0.000 8.478) 9.841 16.242 ( 1.606 0.000 -2.931) 3.342 16.287 ( 0.986 0.000 9.256) 9.308 16.557 ( -3.051 0.000 2.524) 3.960 16.587 ( 0.202 0.000 0.561) 0.596 16.703 ( -0.840 0.000 1.820) 2.004 16.735 ( -1.922 0.000 2.897) 3.477 17.006 ( -0.299 0.000 -3.339) 3.352 17.563 ( -0.047 0.000 -0.136) 0.144 17.605 ( 0.015 0.000 0.066) 0.067 17.800 ( -4.077 0.000 -9.810) 10.623 18.116 ( 0.045 0.000 0.284) 0.288 18.128 ( -0.676 0.000 -0.455) 0.814 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 29.611 0.000 0.934) 29.625 1.916 ( 26.185 0.000 10.562) 28.235 2.657 ( 0.970 0.000 6.896) 6.964 2.745 ( -0.871 0.000 -7.151) 7.204 3.157 ( -2.981 0.000 -6.223) 6.900 3.305 ( -1.800 0.000 -9.570) 9.738 3.306 ( 2.184 0.000 -3.391) 4.034 3.600 ( -9.296 0.000 -5.507) 10.805 3.721 ( -7.056 0.000 -5.512) 8.954 3.883 ( 11.941 0.000 8.485) 14.649 4.139 ( 9.073 0.000 10.707) 14.034 4.321 ( -8.554 0.000 -3.276) 9.160 4.365 ( -13.008 0.000 0.744) 13.030 4.543 ( -2.362 0.000 -0.681) 2.459 4.616 ( 21.537 0.000 -9.306) 23.462 4.858 ( 8.686 0.000 -5.696) 10.387 5.821 ( 9.079 0.000 10.212) 13.665 6.143 ( -13.239 0.000 -2.427) 13.460 6.302 ( -23.594 0.000 -12.937) 26.908 6.436 ( 4.668 0.000 -5.877) 7.505 6.662 ( 3.383 0.000 -0.631) 3.441 6.720 ( -16.254 0.000 -4.407) 16.841 6.834 ( -7.882 0.000 -8.693) 11.734 7.319 ( 3.741 0.000 7.140) 8.061 7.391 ( -6.900 0.000 3.609) 7.787 7.498 ( -6.909 0.000 -3.940) 7.954 7.721 ( -2.654 0.000 -0.260) 2.667 7.917 ( -9.165 0.000 -4.320) 10.132 8.406 ( 6.052 0.000 4.212) 7.373 8.445 ( 4.954 0.000 3.358) 5.984 9.531 ( 8.135 0.000 5.207) 9.659 9.709 ( 2.608 0.000 5.869) 6.423 10.238 ( 7.370 0.000 3.086) 7.990 10.837 ( -10.398 0.000 0.178) 10.400 12.324 ( 6.775 0.000 1.642) 6.971 12.530 ( -2.807 0.000 -1.220) 3.060 12.548 ( 7.715 0.000 -2.132) 8.004 13.509 ( -21.734 0.000 -14.508) 26.131 13.543 ( 14.314 0.000 -7.180) 16.014 14.004 ( -3.723 0.000 -8.975) 9.716 14.285 ( 6.553 0.000 3.473) 7.416 14.301 ( 11.611 0.000 10.739) 15.816 14.675 ( -4.874 0.000 0.236) 4.880 14.731 ( -2.693 0.000 5.628) 6.239 15.064 ( -6.978 0.000 0.853) 7.030 15.245 ( -3.809 0.000 -0.691) 3.871 15.937 ( 4.023 0.000 3.163) 5.118 16.075 ( 6.732 0.000 8.145) 10.567 16.237 ( -2.697 0.000 2.672) 3.797 16.300 ( 0.131 0.000 8.863) 8.864 16.526 ( 0.312 0.000 -0.234) 0.390 16.593 ( 0.224 0.000 4.353) 4.358 16.665 ( -4.308 0.000 3.369) 5.469 16.674 ( -2.166 0.000 0.735) 2.288 17.078 ( 6.988 0.000 -4.916) 8.544 17.566 ( 0.351 0.000 -0.025) 0.352 17.601 ( -0.417 0.000 0.474) 0.631 17.667 ( -9.309 0.000 -7.241) 11.794 18.114 ( -0.239 0.000 -0.218) 0.324 18.119 ( -0.203 0.000 0.011) 0.204 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 22.927 0.000 -0.845) 22.943 2.369 ( 19.746 0.000 8.042) 21.321 2.620 ( -6.383 0.000 6.282) 8.955 2.663 ( -10.076 0.000 -3.038) 10.524 3.126 ( 3.065 0.000 -13.993) 14.325 3.261 ( -8.047 0.000 -14.662) 16.725 3.309 ( 2.589 0.000 -6.275) 6.788 3.420 ( -8.706 0.000 -4.990) 10.035 3.697 ( 6.059 0.000 1.388) 6.216 3.854 ( -8.064 0.000 2.851) 8.553 4.177 ( -4.880 0.000 -0.815) 4.947 4.185 ( -4.874 0.000 -2.596) 5.522 4.376 ( 9.220 0.000 10.940) 14.307 4.489 ( -3.725 0.000 5.406) 6.565 5.103 ( 28.256 0.000 -14.394) 31.711 5.216 ( 27.091 0.000 -9.111) 28.582 5.660 ( -29.106 0.000 -15.056) 32.770 5.782 ( -29.876 0.000 -11.278) 31.933 6.061 ( 15.629 0.000 7.598) 17.378 6.389 ( -17.887 0.000 2.055) 18.004 6.561 ( 4.540 0.000 -11.149) 12.038 6.659 ( -5.817 0.000 -9.590) 11.216 6.925 ( 15.825 0.000 10.907) 19.220 7.207 ( -12.492 0.000 8.346) 15.024 7.356 ( 0.694 0.000 3.651) 3.717 7.389 ( -3.561 0.000 -0.815) 3.653 7.723 ( 2.375 0.000 -2.581) 3.507 7.792 ( -4.657 0.000 -3.923) 6.090 8.490 ( 2.667 0.000 3.757) 4.608 8.504 ( 1.208 0.000 3.567) 3.766 9.658 ( 5.086 0.000 6.508) 8.259 9.721 ( -1.388 0.000 7.178) 7.311 10.410 ( 10.401 0.000 2.217) 10.634 10.623 ( -11.547 0.000 1.498) 11.644 12.429 ( 4.078 0.000 0.542) 4.114 12.485 ( -2.193 0.000 -0.420) 2.233 12.765 ( 14.861 0.000 -6.340) 16.157 13.103 ( -20.066 0.000 -10.821) 22.798 13.768 ( 9.693 0.000 -10.342) 14.174 13.919 ( -5.941 0.000 -12.979) 14.274 14.412 ( 6.811 0.000 3.732) 7.767 14.503 ( 9.262 0.000 10.560) 14.046 14.550 ( -7.451 0.000 2.837) 7.972 14.649 ( -5.954 0.000 8.421) 10.313 15.033 ( 3.315 0.000 2.874) 4.387 15.141 ( -6.530 0.000 1.492) 6.698 16.031 ( 5.786 0.000 4.611) 7.398 16.148 ( -5.974 0.000 5.232) 7.941 16.197 ( 5.733 0.000 7.236) 9.232 16.280 ( -2.612 0.000 7.852) 8.275 16.563 ( 2.965 0.000 -1.096) 3.161 16.591 ( -0.229 0.000 5.907) 5.911 16.602 ( -1.834 0.000 4.381) 4.749 16.623 ( -3.090 0.000 -0.297) 3.104 17.250 ( 10.576 0.000 -5.067) 11.727 17.464 ( -11.377 0.000 -5.575) 12.670 17.576 ( 0.670 0.000 0.217) 0.705 17.590 ( -0.703 0.000 0.473) 0.848 18.112 ( 0.086 0.000 -0.178) 0.198 18.115 ( -0.230 0.000 -0.067) 0.239 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 32.771 13.772) 35.548 1.490 ( 0.000 12.725 29.849) 32.448 2.149 ( 0.000 11.762 44.852) 46.369 2.515 ( 0.000 -7.990 8.910) 11.968 2.877 ( 0.000 7.833 -3.168) 8.449 3.095 ( 0.000 -6.921 3.845) 7.918 3.415 ( 0.000 -0.026 -10.965) 10.965 3.521 ( 0.000 2.060 -4.746) 5.174 3.832 ( 0.000 -3.246 -5.682) 6.544 3.878 ( 0.000 3.837 -6.535) 7.578 4.013 ( 0.000 -8.817 -7.416) 11.521 4.447 ( 0.000 -2.604 14.157) 14.395 4.820 ( 0.000 18.198 -3.295) 18.494 4.905 ( 0.000 -5.036 -3.091) 5.909 4.987 ( 0.000 -9.451 5.126) 10.751 5.086 ( 0.000 0.388 8.717) 8.726 5.184 ( 0.000 15.016 1.606) 15.102 5.407 ( 0.000 1.104 12.287) 12.337 6.729 ( 0.000 -6.494 -4.005) 7.630 6.835 ( 0.000 -0.787 -4.940) 5.002 7.093 ( 0.000 -5.433 -5.405) 7.663 7.118 ( 0.000 -7.112 -11.144) 13.220 7.161 ( 0.000 -5.393 -10.453) 11.762 7.308 ( 0.000 1.194 -9.115) 9.193 7.468 ( 0.000 -6.102 -2.072) 6.444 7.632 ( 0.000 -2.635 -8.502) 8.901 7.930 ( 0.000 -1.875 -3.041) 3.573 8.096 ( 0.000 -2.735 3.964) 4.816 8.364 ( 0.000 15.815 0.059) 15.815 8.825 ( 0.000 2.923 15.317) 15.593 8.888 ( 0.000 0.908 -13.667) 13.697 9.420 ( 0.000 0.830 -0.142) 0.842 10.213 ( 0.000 14.977 6.662) 16.391 11.219 ( 0.000 8.223 -5.994) 10.176 12.006 ( 0.000 -4.288 5.677) 7.114 12.516 ( 0.000 2.084 5.916) 6.272 12.683 ( 0.000 -5.896 -1.859) 6.182 12.741 ( 0.000 -0.972 3.009) 3.162 13.836 ( 0.000 3.320 3.426) 4.770 14.053 ( 0.000 2.281 -0.461) 2.327 14.289 ( 0.000 5.269 6.697) 8.521 14.419 ( 0.000 2.626 -9.281) 9.646 14.513 ( 0.000 -5.951 -6.647) 8.922 14.784 ( 0.000 7.821 -3.888) 8.734 15.254 ( 0.000 -1.190 -0.791) 1.429 15.439 ( 0.000 -4.062 0.104) 4.064 15.852 ( 0.000 -0.241 0.910) 0.941 15.892 ( 0.000 -7.769 1.720) 7.957 16.177 ( 0.000 -7.116 8.210) 10.865 16.211 ( 0.000 2.574 -7.179) 7.627 16.568 ( 0.000 -1.563 -1.264) 2.010 16.655 ( 0.000 -2.301 1.524) 2.760 16.660 ( 0.000 0.336 2.679) 2.700 16.739 ( 0.000 2.556 1.875) 3.170 17.180 ( 0.000 -4.437 -4.988) 6.675 17.251 ( 0.000 -19.300 4.484) 19.814 17.602 ( 0.000 3.412 -0.035) 3.412 18.055 ( 0.000 15.014 -13.280) 20.044 18.098 ( 0.000 -0.397 -0.781) 0.876 18.185 ( 0.000 3.671 -2.077) 4.218 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -8.360 11.060 29.421) 32.524 1.349 ( 10.920 30.750 11.989) 34.764 2.521 ( 2.078 -6.838 9.309) 11.735 2.613 ( 33.117 8.457 35.914) 49.579 2.861 ( -1.672 5.424 -3.621) 6.733 3.072 ( -0.387 -4.130 3.072) 5.162 3.395 ( -2.519 -1.564 -8.604) 9.101 3.534 ( 0.550 3.651 -7.650) 8.494 3.799 ( -3.673 -4.806 -5.677) 8.295 3.935 ( 4.634 2.313 -5.651) 7.666 3.964 ( -3.159 -7.436 -6.223) 10.198 4.365 ( -5.073 3.293 9.707) 11.437 4.709 ( -12.972 -6.771 -1.209) 14.682 4.789 ( -4.913 16.808 -3.969) 17.956 4.853 ( -9.720 -3.404 -0.983) 10.346 5.121 ( -3.384 16.788 0.043) 17.126 5.371 ( 21.413 -0.149 18.869) 28.541 5.550 ( 8.833 -3.435 9.977) 13.761 6.706 ( -2.757 -4.955 -5.760) 8.083 6.804 ( -3.905 -1.419 -8.217) 9.208 7.020 ( -9.602 -4.649 -11.134) 15.421 7.045 ( -5.361 -5.929 -4.703) 9.274 7.131 ( -2.454 -7.275 -5.920) 9.695 7.247 ( -6.140 1.734 -8.681) 10.773 7.445 ( -1.978 -6.515 -2.063) 7.114 7.582 ( -2.955 -1.771 -5.858) 6.796 7.906 ( -4.688 -7.559 -3.237) 9.465 8.114 ( -0.295 -5.432 2.092) 5.829 8.367 ( 1.743 16.948 2.259) 17.186 8.583 ( -10.380 9.422 3.072) 14.351 9.126 ( 12.486 -0.247 0.618) 12.504 9.495 ( 6.239 -0.609 -0.289) 6.276 10.226 ( 1.607 15.162 6.000) 16.385 11.197 ( -2.680 8.956 -5.105) 10.651 12.038 ( 3.074 -5.362 4.371) 7.570 12.494 ( -1.810 1.516 3.950) 4.602 12.645 ( -3.398 -4.599 -1.361) 5.878 12.876 ( 13.097 -2.005 1.491) 13.334 13.901 ( 6.273 2.043 5.206) 8.404 14.085 ( 3.084 2.342 -0.837) 3.962 14.245 ( -5.681 4.218 4.699) 8.494 14.261 ( -10.997 3.100 -13.782) 17.903 14.602 ( 5.461 -3.474 -3.399) 7.310 14.810 ( 1.615 6.420 -1.986) 6.911 15.256 ( 0.264 -1.498 -0.844) 1.739 15.415 ( -4.177 -3.219 -2.802) 5.972 15.838 ( -1.424 -5.106 3.515) 6.360 15.872 ( 0.774 -2.123 3.175) 3.897 16.178 ( 0.274 -6.374 5.956) 8.728 16.243 ( 2.617 1.916 -3.137) 4.513 16.565 ( -0.530 -2.288 -1.456) 2.764 16.618 ( -2.724 -0.253 3.057) 4.102 16.688 ( 1.691 -1.155 1.629) 2.617 16.751 ( 0.708 2.074 1.820) 2.848 17.031 ( -7.622 -6.958 -0.259) 10.324 17.374 ( 5.764 -13.912 -0.783) 15.079 17.603 ( 0.041 3.461 -0.014) 3.462 18.017 ( -3.724 12.346 -11.345) 17.176 18.096 ( 0.020 -1.933 0.403) 1.975 18.186 ( -0.371 4.387 -3.094) 5.381 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 19.356 7.504 12.089) 24.023 1.652 ( 19.143 20.552 10.515) 29.990 2.565 ( 3.387 -6.282 5.552) 9.042 2.798 ( -2.609 3.595 -3.067) 5.397 3.118 ( 4.810 -1.141 0.628) 4.983 3.213 ( 17.341 0.723 15.431) 23.224 3.323 ( -1.780 -3.072 -2.186) 4.170 3.535 ( 1.975 3.933 -3.754) 5.785 3.718 ( -1.634 -2.803 -3.813) 5.007 3.898 ( -4.443 -1.159 -9.359) 10.425 4.031 ( 3.799 -1.019 -1.208) 4.114 4.356 ( 6.125 4.660 1.439) 7.829 4.502 ( -9.085 -5.562 -2.746) 11.001 4.644 ( -8.907 15.225 -4.949) 18.321 4.714 ( -3.922 0.400 -0.886) 4.041 5.011 ( -6.702 19.109 -0.126) 20.251 5.683 ( 6.500 -1.112 10.792) 12.648 5.838 ( 24.766 -3.117 19.370) 31.596 6.609 ( -12.459 -4.385 -9.757) 16.421 6.655 ( -7.600 -1.722 -8.726) 11.699 6.729 ( -17.135 -0.947 -16.184) 23.588 6.927 ( -9.191 -4.526 -6.201) 11.976 7.077 ( -9.121 3.107 -7.714) 12.343 7.144 ( 3.042 -9.118 5.065) 10.865 7.413 ( -1.911 -5.778 -0.928) 6.156 7.531 ( -3.480 -4.241 -3.758) 6.650 7.748 ( -10.001 -9.532 -1.272) 13.874 8.000 ( -10.457 -10.186 -1.362) 14.662 8.444 ( 5.599 14.818 4.022) 16.343 8.526 ( 2.916 15.454 2.567) 15.935 9.344 ( 10.366 -0.947 3.429) 10.960 9.610 ( 5.281 -1.991 2.527) 6.183 10.279 ( 3.933 15.253 4.173) 16.295 11.107 ( -6.814 10.239 -2.840) 12.622 12.118 ( 5.208 -7.335 2.980) 9.476 12.469 ( -0.660 -1.425 -0.712) 1.725 12.587 ( -1.467 0.063 0.432) 1.531 13.179 ( 16.978 -4.671 -2.523) 17.788 13.936 ( -17.535 2.804 -13.286) 22.178 14.058 ( 7.735 -1.282 6.379) 10.108 14.129 ( -2.438 5.043 -6.464) 8.553 14.222 ( 4.294 4.719 4.973) 8.089 14.676 ( 1.865 -2.110 -0.894) 2.955 14.818 ( -0.973 4.464 1.275) 4.744 15.224 ( -7.451 -2.593 -1.290) 7.995 15.294 ( -3.406 0.068 -2.151) 4.029 15.863 ( 3.257 -4.086 4.081) 6.630 15.920 ( 4.421 -1.819 6.291) 7.901 16.188 ( 0.750 -7.531 6.422) 9.926 16.287 ( 1.391 2.473 0.182) 2.843 16.546 ( -1.616 -3.121 1.880) 3.986 16.567 ( -1.758 -0.088 1.556) 2.349 16.706 ( -0.415 -0.643 2.380) 2.500 16.737 ( -2.225 0.948 1.697) 2.955 16.958 ( 0.596 -4.542 -2.687) 5.311 17.443 ( 1.626 -11.595 -1.315) 11.782 17.605 ( 0.253 3.574 -0.002) 3.583 17.921 ( -6.191 8.431 -7.806) 13.052 18.098 ( 0.157 -1.975 0.276) 2.000 18.164 ( -1.679 3.239 -2.256) 4.289 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 28.500 2.965 1.515) 28.694 2.040 ( 20.468 10.698 8.509) 24.613 2.643 ( 3.834 -2.336 4.869) 6.622 2.765 ( -0.914 2.401 -6.289) 6.793 3.149 ( -5.634 -0.771 -5.156) 7.676 3.233 ( 2.889 -6.121 -3.381) 7.566 3.315 ( -4.212 -3.230 -6.819) 8.641 3.502 ( -6.085 -4.478 -4.608) 8.850 3.768 ( -6.949 2.616 -7.123) 10.289 3.914 ( 6.135 2.793 6.076) 9.075 4.098 ( 6.469 -1.555 7.186) 9.793 4.306 ( -10.364 -3.512 -0.824) 10.973 4.505 ( -1.249 15.712 -2.300) 15.928 4.635 ( 19.111 4.809 -5.996) 20.599 4.735 ( 4.473 9.194 -4.853) 11.318 4.930 ( 1.930 12.780 -1.520) 13.014 5.832 ( 9.992 1.822 10.543) 14.640 6.138 ( -13.500 -0.515 -2.867) 13.811 6.264 ( -16.303 -3.656 -9.846) 19.393 6.417 ( 0.870 -2.208 -4.662) 5.231 6.615 ( -2.907 -3.474 -5.069) 6.798 6.724 ( -8.998 0.667 -3.218) 9.579 6.898 ( -8.256 4.853 -7.543) 12.190 7.228 ( 3.751 -9.668 6.694) 12.343 7.339 ( -6.132 -5.215 2.590) 8.456 7.413 ( -8.244 -7.060 -2.743) 11.195 7.613 ( -3.149 -10.627 -0.363) 11.090 7.804 ( -8.797 -10.142 -3.200) 13.802 8.553 ( 5.254 13.246 3.776) 14.741 8.603 ( 3.790 14.324 2.726) 15.065 9.520 ( 7.932 -1.463 5.110) 9.549 9.687 ( 2.545 -2.536 5.637) 6.684 10.380 ( 6.762 14.621 2.641) 16.324 10.943 ( -10.005 11.171 -0.737) 15.014 12.226 ( 5.735 -9.330 1.480) 11.051 12.444 ( -2.130 -6.681 -2.650) 7.497 12.640 ( 7.329 6.278 -0.960) 9.697 13.471 ( 8.970 -5.123 -7.590) 12.819 13.570 ( -15.376 3.869 -11.845) 19.791 14.050 ( -4.971 4.436 -10.798) 12.688 14.221 ( 8.408 -3.648 6.639) 11.317 14.343 ( 6.275 2.043 6.595) 9.329 14.672 ( -1.970 0.660 1.991) 2.877 14.775 ( -3.371 3.026 4.025) 6.060 15.067 ( -5.387 0.703 2.092) 5.822 15.250 ( -3.317 0.752 -0.091) 3.402 15.937 ( 4.624 -1.165 3.331) 5.816 16.031 ( 6.350 -3.649 8.040) 10.876 16.203 ( 0.615 -8.406 7.280) 11.137 16.269 ( -3.536 2.062 4.133) 5.817 16.517 ( -0.967 -3.284 2.762) 4.399 16.557 ( 0.069 -1.178 1.436) 1.859 16.652 ( -3.396 -1.000 3.059) 4.679 16.712 ( -1.183 3.072 0.785) 3.385 17.033 ( 6.472 -4.375 -4.307) 8.920 17.439 ( -2.254 -10.531 -1.913) 10.938 17.613 ( 0.619 4.027 -0.064) 4.075 17.791 ( -6.857 7.604 -4.490) 11.180 18.101 ( 0.111 -1.749 -0.008) 1.752 18.132 ( -1.475 1.267 -1.080) 2.225 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 20.950 0.470 -0.524) 20.961 2.394 ( 15.386 2.131 5.965) 16.639 2.639 ( -4.501 1.944 3.521) 6.037 2.717 ( -7.397 4.659 -1.506) 8.870 3.094 ( 2.579 -3.968 -11.654) 12.578 3.188 ( -5.364 -6.480 -11.352) 14.129 3.284 ( 0.461 -3.331 -7.082) 7.840 3.369 ( -7.786 -4.527 -4.686) 10.153 3.725 ( 3.941 3.501 1.056) 5.376 3.852 ( -7.175 0.811 2.616) 7.680 4.136 ( -1.943 -1.677 0.426) 2.602 4.152 ( -4.505 -1.836 0.276) 4.872 4.601 ( 7.239 19.652 4.017) 21.325 4.711 ( -4.180 20.322 2.090) 20.853 5.095 ( 26.667 -0.457 -14.451) 30.334 5.244 ( 26.721 3.162 -7.371) 27.899 5.644 ( -28.588 -1.247 -15.411) 32.502 5.801 ( -28.323 1.720 -10.020) 30.093 6.077 ( 15.055 2.106 7.684) 17.033 6.381 ( -15.503 -0.066 0.252) 15.505 6.586 ( 5.284 1.926 -7.771) 9.592 6.687 ( -4.593 2.168 -6.933) 8.595 6.903 ( 12.741 -1.706 8.489) 15.405 7.163 ( -11.716 -4.713 7.084) 14.479 7.267 ( -0.028 -8.931 3.972) 9.775 7.290 ( -3.434 -9.560 -0.674) 10.180 7.608 ( 2.125 -11.027 -1.876) 11.385 7.676 ( -4.867 -11.123 -2.873) 12.476 8.631 ( 2.656 12.992 3.360) 13.680 8.649 ( 0.795 13.411 3.043) 13.775 9.643 ( 4.828 -1.938 6.254) 8.135 9.701 ( -1.136 -2.394 6.734) 7.237 10.538 ( 9.642 13.340 1.720) 16.550 10.739 ( -11.005 12.091 0.751) 16.366 12.326 ( 4.539 -9.949 -0.106) 10.936 12.396 ( -2.905 -8.649 -1.430) 9.236 12.848 ( 14.054 7.312 -5.408) 16.740 13.166 ( -18.870 6.204 -10.027) 22.251 13.733 ( 11.345 -4.088 -9.415) 15.299 13.925 ( -8.450 -0.090 -13.006) 15.510 14.362 ( 5.714 -3.548 5.255) 8.536 14.417 ( 0.579 -3.289 6.468) 7.279 14.642 ( 0.463 4.798 5.691) 7.458 14.699 ( -4.280 3.187 6.406) 8.338 15.055 ( 3.555 2.777 3.779) 5.885 15.157 ( -5.916 2.044 2.185) 6.630 16.042 ( 6.280 0.354 4.609) 7.798 16.140 ( 4.694 -5.370 7.291) 10.200 16.168 ( -6.448 1.312 5.483) 8.565 16.200 ( -1.398 -7.646 7.473) 10.782 16.510 ( 0.471 -4.811 3.571) 6.010 16.538 ( -2.081 -3.256 2.639) 4.680 16.635 ( 1.669 2.764 1.627) 3.615 16.678 ( -2.266 3.699 1.021) 4.456 17.186 ( 8.942 -6.050 -4.258) 11.606 17.348 ( -7.230 -8.881 -3.387) 11.942 17.633 ( 1.599 5.092 -0.300) 5.345 17.683 ( -4.028 6.876 -1.472) 8.103 18.103 ( 0.210 -1.273 -0.244) 1.313 18.111 ( -0.699 -0.354 -0.492) 0.925 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.000 15.614 21.999) 26.977 1.804 ( 0.000 19.864 23.924) 31.096 2.327 ( 0.000 -11.467 12.914) 17.271 2.540 ( 0.000 26.875 21.820) 34.618 2.918 ( 0.000 -11.132 7.899) 13.650 3.058 ( 0.000 10.658 -1.847) 10.817 3.382 ( 0.000 -1.422 -1.772) 2.272 3.596 ( 0.000 3.702 -12.207) 12.756 3.689 ( 0.000 -11.202 -5.102) 12.309 3.857 ( 0.000 -7.512 -1.794) 7.723 3.991 ( 0.000 7.949 -6.815) 10.471 4.365 ( 0.000 -5.626 9.306) 10.874 4.735 ( 0.000 -12.728 -0.560) 12.741 4.784 ( 0.000 -7.837 -1.372) 7.956 5.116 ( 0.000 7.776 13.657) 15.716 5.263 ( 0.000 19.766 -0.476) 19.772 5.340 ( 0.000 -0.434 12.155) 12.162 5.658 ( 0.000 26.330 0.981) 26.348 6.528 ( 0.000 -15.223 3.522) 15.625 6.802 ( 0.000 -2.242 -4.150) 4.717 6.927 ( 0.000 -9.747 -5.631) 11.256 7.006 ( 0.000 -2.770 -13.071) 13.361 7.090 ( 0.000 -3.692 -13.504) 14.000 7.261 ( 0.000 -15.476 -1.760) 15.576 7.365 ( 0.000 2.576 -10.464) 10.777 7.571 ( 0.000 -3.607 -8.742) 9.457 7.901 ( 0.000 -0.522 -7.977) 7.994 8.032 ( 0.000 -3.784 0.585) 3.829 8.647 ( 0.000 12.633 3.043) 12.995 8.900 ( 0.000 0.097 -8.475) 8.475 8.922 ( 0.000 7.960 11.378) 13.886 9.407 ( 0.000 -2.812 1.778) 3.327 10.577 ( 0.000 22.385 3.676) 22.684 11.387 ( 0.000 6.455 -7.939) 10.232 11.927 ( 0.000 -1.696 6.126) 6.356 12.522 ( 0.000 -10.520 -2.960) 10.929 12.568 ( 0.000 3.291 5.861) 6.722 12.728 ( 0.000 -1.138 5.207) 5.329 13.913 ( 0.000 4.676 3.852) 6.058 14.100 ( 0.000 1.929 2.456) 3.123 14.424 ( 0.000 -2.861 -9.656) 10.071 14.451 ( 0.000 7.554 -9.716) 12.308 14.478 ( 0.000 7.791 4.256) 8.877 14.940 ( 0.000 8.685 -1.972) 8.906 15.221 ( 0.000 -2.326 -1.144) 2.592 15.362 ( 0.000 -3.663 1.734) 4.053 15.696 ( 0.000 -12.633 2.510) 12.880 15.736 ( 0.000 -13.628 3.673) 14.115 16.110 ( 0.000 2.453 3.926) 4.629 16.269 ( 0.000 3.324 -7.416) 8.127 16.529 ( 0.000 -2.498 -1.064) 2.715 16.601 ( 0.000 -3.916 1.613) 4.235 16.669 ( 0.000 0.701 2.632) 2.723 16.790 ( 0.000 2.644 1.450) 3.016 16.942 ( 0.000 -13.086 5.798) 14.313 17.078 ( 0.000 -5.970 -2.655) 6.533 17.691 ( 0.000 5.811 0.031) 5.811 18.033 ( 0.000 -4.319 0.402) 4.337 18.264 ( 0.000 4.324 -4.873) 6.515 18.280 ( 0.000 7.188 -15.420) 17.013 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -8.005 15.736 25.024) 30.625 1.883 ( 6.115 24.038 11.189) 27.211 2.335 ( 1.404 -11.969 10.909) 16.255 2.834 ( 15.277 3.485 16.364) 22.656 2.923 ( 7.635 5.294 11.209) 14.559 3.047 ( -0.588 5.932 -1.961) 6.276 3.362 ( -2.130 -0.195 -1.863) 2.837 3.584 ( -1.555 -2.581 -8.795) 9.297 3.689 ( 0.256 -2.095 -5.747) 6.122 3.842 ( -0.129 -6.124 -3.616) 7.113 4.021 ( 2.631 6.623 -6.111) 9.388 4.377 ( 0.905 -2.502 6.913) 7.408 4.581 ( -10.177 -5.582 -1.630) 11.721 4.740 ( -4.753 -7.320 -1.242) 8.816 5.120 ( -7.218 14.650 -3.500) 16.702 5.333 ( 16.263 -0.648 17.621) 23.987 5.488 ( 8.056 11.324 8.679) 16.385 5.644 ( -0.159 22.418 4.119) 22.793 6.538 ( 0.504 -13.778 1.099) 13.831 6.776 ( -2.873 -1.654 -5.425) 6.358 6.877 ( -5.145 -7.295 -6.946) 11.311 6.940 ( -6.569 -7.181 -8.779) 13.107 7.002 ( -8.027 -4.167 -12.456) 15.393 7.265 ( 0.595 -12.960 -2.545) 13.221 7.302 ( -6.555 2.141 -8.933) 11.285 7.522 ( -4.399 -3.878 -6.933) 9.080 7.804 ( -8.807 -2.693 -5.463) 10.708 7.992 ( -5.903 -6.858 -1.156) 9.122 8.658 ( 1.754 13.021 3.538) 13.607 8.798 ( -1.453 12.644 1.021) 12.768 9.113 ( 10.664 -0.934 2.851) 11.078 9.455 ( 4.307 -4.032 2.131) 6.273 10.597 ( 2.150 22.948 3.247) 23.276 11.396 ( 0.134 9.267 -7.572) 11.968 11.922 ( -0.221 -4.869 5.449) 7.311 12.459 ( -4.804 -7.931 -2.125) 9.513 12.594 ( 1.542 1.878 4.177) 4.832 12.825 ( 9.645 -3.446 3.517) 10.829 13.950 ( 3.648 3.227 4.622) 6.714 14.122 ( 1.235 0.563 2.464) 2.813 14.303 ( -8.037 3.921 -11.264) 14.382 14.409 ( -3.789 9.594 -6.750) 12.328 14.576 ( 5.776 2.081 0.438) 6.156 14.937 ( -0.852 6.842 -1.206) 7.000 15.216 ( -0.326 -2.578 -0.060) 2.599 15.358 ( -1.897 -2.290 -0.968) 3.128 15.663 ( -0.959 -11.784 5.606) 13.084 15.758 ( 2.328 -13.054 3.935) 13.832 16.105 ( -0.641 1.738 4.866) 5.207 16.303 ( 3.048 3.683 -5.837) 7.545 16.506 ( -2.163 -3.907 0.064) 4.467 16.602 ( -0.828 -1.846 2.025) 2.862 16.671 ( 0.934 -0.452 1.470) 1.799 16.786 ( -1.473 0.214 1.426) 2.062 16.880 ( -2.660 -6.352 2.646) 7.377 17.154 ( 5.029 -9.685 -0.793) 10.942 17.692 ( 0.161 5.877 0.023) 5.879 18.035 ( 0.205 -4.305 0.344) 4.323 18.193 ( -5.685 6.641 -9.091) 12.612 18.274 ( -1.787 4.074 -8.409) 9.513 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 13.535 13.353 11.124) 22.028 2.035 ( 9.602 17.736 7.735) 21.601 2.404 ( 6.214 -9.804 6.086) 13.106 2.851 ( -1.586 -0.701 1.665) 2.404 3.043 ( 0.451 -4.997 -1.150) 5.147 3.197 ( 3.761 -2.572 1.884) 4.930 3.305 ( -3.692 1.402 -0.877) 4.045 3.579 ( -3.367 -0.726 -5.928) 6.856 3.733 ( 11.391 5.341 4.395) 13.327 3.886 ( 3.312 0.250 -5.778) 6.665 4.059 ( 0.892 4.063 -4.214) 5.921 4.391 ( -4.639 -5.793 -4.043) 8.451 4.445 ( 2.451 4.163 1.228) 4.984 4.677 ( -0.222 -3.552 -1.759) 3.970 4.971 ( -6.283 17.994 -2.614) 19.238 5.489 ( -4.874 29.659 0.774) 30.066 5.702 ( 15.412 0.204 15.405) 21.792 5.775 ( 16.078 0.703 15.038) 22.026 6.500 ( -8.097 -8.147 -5.902) 12.914 6.621 ( -11.416 -1.644 -11.036) 15.964 6.703 ( -14.233 -2.004 -13.781) 19.913 6.817 ( -4.044 -6.950 -3.345) 8.709 6.919 ( 0.986 -12.205 1.517) 12.338 7.136 ( -9.631 2.921 -7.161) 12.352 7.286 ( 1.138 -10.652 -2.404) 10.979 7.418 ( -6.480 -6.952 -4.068) 10.338 7.583 ( -13.920 -5.264 -2.722) 15.129 7.813 ( -11.560 -9.558 -1.585) 15.083 8.726 ( 4.970 14.327 3.617) 15.590 8.831 ( 3.661 16.135 1.907) 16.655 9.305 ( 9.255 -3.337 3.960) 10.605 9.543 ( 4.309 -5.428 3.713) 7.862 10.656 ( 3.869 23.568 2.240) 23.989 11.360 ( -4.415 15.003 -5.382) 16.539 11.937 ( 2.097 -11.063 3.558) 11.808 12.363 ( -4.931 -9.339 -3.250) 11.050 12.640 ( 4.134 5.032 2.619) 7.019 13.060 ( 13.910 -7.684 0.075) 15.891 13.995 ( -13.640 2.920 -9.396) 16.819 14.042 ( 4.577 -0.283 4.222) 6.234 14.251 ( 0.485 7.190 -6.107) 9.446 14.338 ( -1.575 7.026 -2.294) 7.557 14.665 ( 3.253 1.565 1.079) 3.768 14.894 ( -3.700 2.811 -0.013) 4.646 15.179 ( -4.331 -1.059 1.911) 4.850 15.306 ( -1.344 1.629 -0.264) 2.128 15.710 ( 4.903 -10.916 7.171) 13.951 15.826 ( 4.781 -12.045 5.448) 14.058 16.087 ( -1.053 0.537 5.968) 6.084 16.356 ( 1.589 4.149 -1.635) 4.734 16.455 ( -2.951 -5.879 2.704) 7.112 16.571 ( -1.601 -0.021 1.468) 2.172 16.682 ( -1.717 -1.411 2.594) 3.416 16.751 ( 0.438 -1.126 -1.456) 1.892 16.880 ( 1.673 -1.730 0.146) 2.411 17.228 ( 2.325 -10.885 -0.603) 11.147 17.698 ( 0.478 6.031 -0.049) 6.050 18.040 ( 0.134 -4.107 0.045) 4.110 18.066 ( -7.088 6.747 -6.991) 12.027 18.218 ( -3.741 1.901 -4.807) 6.381 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 23.719 7.001 1.269) 24.763 2.236 ( 11.051 8.485 4.897) 14.769 2.561 ( 8.963 -5.350 3.679) 11.068 2.831 ( -0.060 3.903 -4.209) 5.740 3.015 ( -4.825 -12.448 -1.049) 13.392 3.165 ( -3.344 -2.545 -5.372) 6.820 3.231 ( -3.078 -1.866 -4.911) 6.089 3.448 ( -8.516 -3.510 -5.532) 10.744 3.840 ( -1.986 5.387 -3.850) 6.912 3.981 ( 0.094 4.433 1.193) 4.592 4.091 ( 4.399 -0.267 2.944) 5.300 4.245 ( -8.032 -3.002 -2.345) 8.890 4.646 ( 15.599 2.999 -8.807) 18.163 4.783 ( 11.895 -0.696 -8.315) 14.530 4.975 ( 8.575 26.537 4.779) 28.295 5.374 ( -6.074 29.502 -0.016) 30.121 5.915 ( 10.914 7.315 10.775) 16.992 6.124 ( -12.948 -0.987 -3.529) 13.457 6.170 ( 0.064 -6.942 -0.962) 7.008 6.357 ( -10.172 -3.229 -5.063) 11.813 6.563 ( -4.331 -2.414 -9.537) 10.749 6.726 ( -3.737 -1.347 -2.224) 4.553 6.968 ( -4.573 -3.501 -1.151) 5.873 6.984 ( 1.048 -9.326 -0.171) 9.386 7.246 ( -8.519 -3.182 2.128) 9.340 7.281 ( -10.833 -6.606 -2.898) 13.015 7.350 ( -2.864 -17.064 -1.316) 17.352 7.591 ( -10.911 -11.421 -1.667) 15.883 8.827 ( 5.145 14.981 3.567) 16.237 8.902 ( 3.170 16.439 2.595) 16.942 9.462 ( 7.091 -4.923 4.959) 9.955 9.608 ( 2.254 -6.073 5.224) 8.322 10.747 ( 5.763 23.257 1.396) 24.001 11.231 ( -8.591 18.512 -2.727) 20.590 11.998 ( 4.073 -14.748 1.259) 15.351 12.271 ( -4.775 -11.887 -3.223) 13.210 12.772 ( 9.780 7.911 -0.783) 12.603 13.329 ( 13.778 -9.547 -3.683) 17.163 13.674 ( -17.988 6.882 -11.199) 22.279 14.076 ( -6.125 -4.167 -8.371) 11.178 14.234 ( 3.969 6.895 1.256) 8.055 14.389 ( 3.596 3.065 4.434) 6.479 14.697 ( 0.237 1.475 2.272) 2.719 14.802 ( -5.316 -0.721 1.748) 5.642 15.119 ( -0.553 5.623 5.546) 7.917 15.289 ( -1.532 3.966 2.004) 4.700 15.816 ( 5.811 -11.046 6.163) 13.920 15.926 ( 4.740 -12.970 7.745) 15.833 16.077 ( 0.544 0.953 5.862) 5.964 16.333 ( -3.976 4.160 3.184) 6.577 16.406 ( -1.695 -7.121 4.567) 8.628 16.544 ( -2.380 -1.573 1.176) 3.086 16.651 ( 0.611 1.464 0.953) 1.851 16.775 ( 0.530 3.415 -0.166) 3.459 16.938 ( 4.717 -4.891 -2.502) 7.241 17.237 ( -1.414 -10.616 -1.144) 10.771 17.712 ( 1.132 6.261 -0.266) 6.368 17.927 ( -6.881 6.807 -4.281) 10.583 18.048 ( 0.479 -3.860 -0.168) 3.893 18.146 ( -3.494 -0.175 -2.461) 4.277 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 17.615 1.855 -0.403) 17.717 2.435 ( 8.509 2.293 2.420) 9.139 2.652 ( 0.490 -1.577 1.449) 2.197 2.792 ( -9.971 0.890 -2.241) 10.259 2.964 ( 6.523 -6.571 -6.331) 11.216 3.104 ( -4.429 -1.715 -8.007) 9.310 3.191 ( -0.082 -5.847 -5.973) 8.359 3.280 ( -8.166 -4.769 -5.649) 11.015 3.826 ( 2.002 6.678 0.788) 7.016 3.907 ( -5.295 4.787 1.540) 7.303 4.111 ( -1.196 -2.044 1.050) 2.590 4.125 ( -3.572 -1.107 -0.026) 3.740 4.968 ( 13.538 13.465 -10.192) 21.644 5.096 ( 21.536 2.118 -13.679) 25.601 5.148 ( -1.392 22.802 -3.655) 23.135 5.400 ( 16.409 17.141 1.268) 23.763 5.624 ( -26.316 -0.665 -15.082) 30.339 5.856 ( -23.541 5.644 -4.818) 24.683 6.159 ( 13.123 6.853 7.790) 16.729 6.407 ( -11.643 2.715 -1.185) 12.014 6.579 ( 13.299 -4.704 1.816) 14.223 6.711 ( -0.457 0.757 -3.358) 3.473 6.897 ( 0.923 -0.484 2.159) 2.398 6.998 ( -2.613 -12.279 1.099) 12.602 7.057 ( -5.472 -13.801 4.003) 15.377 7.103 ( -8.207 -7.262 3.749) 11.582 7.358 ( 1.810 -14.577 -2.300) 14.868 7.425 ( -5.810 -14.162 -2.678) 15.540 8.908 ( 3.050 15.580 3.422) 16.241 8.936 ( 0.210 16.151 3.111) 16.449 9.572 ( 4.253 -5.922 5.590) 9.187 9.622 ( -0.904 -6.265 5.784) 8.574 10.880 ( 8.156 22.072 0.498) 23.536 11.052 ( -9.604 20.457 -0.817) 22.614 12.085 ( 4.852 -15.656 -0.756) 16.408 12.179 ( -4.907 -14.410 -2.264) 15.390 13.007 ( 14.488 9.458 -4.794) 17.954 13.314 ( -17.156 9.198 -8.856) 21.386 13.609 ( 13.601 -8.954 -6.907) 17.687 13.871 ( -13.168 -6.390 -10.724) 18.145 14.353 ( 5.995 3.581 4.290) 8.195 14.421 ( -0.747 3.399 4.045) 5.336 14.692 ( -0.121 0.059 3.793) 3.796 14.717 ( -3.082 -1.457 4.307) 5.493 15.156 ( 3.737 8.165 5.943) 10.768 15.235 ( -3.929 6.671 4.261) 8.837 15.919 ( 4.510 -12.845 6.706) 15.176 15.970 ( -0.439 -14.645 7.985) 16.686 16.126 ( 4.427 3.128 5.236) 7.536 16.230 ( -6.034 3.905 4.777) 8.630 16.407 ( 2.065 -5.754 4.568) 7.632 16.473 ( -4.236 -3.782 3.333) 6.584 16.700 ( 3.364 4.203 0.081) 5.384 16.757 ( -2.269 4.834 0.439) 5.358 17.054 ( 6.765 -7.524 -3.024) 10.560 17.173 ( -5.170 -9.443 -2.153) 10.979 17.746 ( 2.491 6.613 -0.773) 7.109 17.814 ( -4.773 6.906 -2.004) 8.631 18.062 ( 1.018 -3.241 -0.545) 3.441 18.091 ( -2.161 -2.002 -1.181) 3.174 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.000 10.468 24.591) 26.726 2.108 ( 0.000 -11.370 19.399) 22.485 2.200 ( 0.000 21.524 18.523) 28.397 2.582 ( 0.000 -18.016 13.406) 22.457 3.066 ( 0.000 18.453 1.617) 18.523 3.205 ( 0.000 2.460 -5.134) 5.693 3.420 ( 0.000 5.532 -0.896) 5.605 3.507 ( 0.000 -6.291 -4.001) 7.456 3.615 ( 0.000 -0.806 -4.100) 4.178 3.700 ( 0.000 -8.974 2.382) 9.285 4.150 ( 0.000 7.953 -5.346) 9.583 4.263 ( 0.000 -4.953 1.423) 5.153 4.576 ( 0.000 -3.111 0.335) 3.129 4.630 ( 0.000 -7.452 0.365) 7.461 5.224 ( 0.000 4.844 14.097) 14.906 5.300 ( 0.000 -3.224 13.347) 13.731 5.673 ( 0.000 22.709 2.445) 22.840 6.042 ( 0.000 -6.978 1.940) 7.243 6.340 ( 0.000 15.758 3.869) 16.226 6.766 ( 0.000 -11.975 0.093) 11.975 6.776 ( 0.000 0.185 -5.886) 5.889 6.882 ( 0.000 -18.928 -6.359) 19.968 6.991 ( 0.000 0.808 -14.747) 14.769 7.028 ( 0.000 -2.932 -14.288) 14.585 7.430 ( 0.000 3.797 -9.826) 10.534 7.501 ( 0.000 -3.787 -9.188) 9.938 7.914 ( 0.000 1.815 -6.638) 6.882 7.964 ( 0.000 -3.312 -3.238) 4.632 8.812 ( 0.000 5.643 3.606) 6.696 8.883 ( 0.000 -2.181 -1.872) 2.874 9.115 ( 0.000 11.411 5.353) 12.605 9.304 ( 0.000 -8.149 3.279) 8.784 10.996 ( 0.000 21.243 0.852) 21.260 11.327 ( 0.000 -12.636 -3.133) 13.019 12.039 ( 0.000 12.517 0.663) 12.534 12.296 ( 0.000 -13.486 -2.498) 13.715 12.632 ( 0.000 3.476 5.748) 6.717 12.692 ( 0.000 -2.695 5.625) 6.238 14.006 ( 0.000 5.103 4.083) 6.535 14.090 ( 0.000 -3.179 4.513) 5.521 14.425 ( 0.000 2.497 -11.314) 11.586 14.470 ( 0.000 -1.300 -10.374) 10.455 14.778 ( 0.000 18.678 0.342) 18.681 15.053 ( 0.000 -4.037 -5.282) 6.647 15.186 ( 0.000 3.557 5.214) 6.312 15.303 ( 0.000 -3.560 5.902) 6.893 15.461 ( 0.000 -10.104 0.914) 10.145 15.462 ( 0.000 -10.638 4.769) 11.658 16.221 ( 0.000 7.656 -1.547) 7.811 16.313 ( 0.000 -0.082 -7.825) 7.825 16.481 ( 0.000 -2.083 0.186) 2.092 16.501 ( 0.000 -5.298 3.542) 6.373 16.690 ( 0.000 1.677 2.866) 3.321 16.746 ( 0.000 -4.992 3.592) 6.150 16.877 ( 0.000 3.901 1.557) 4.200 16.968 ( 0.000 -5.554 -0.430) 5.571 17.811 ( 0.000 6.760 0.134) 6.761 17.934 ( 0.000 -6.164 0.261) 6.169 18.332 ( 0.000 2.613 -8.312) 8.713 18.350 ( 0.000 0.953 -12.102) 12.139 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -5.289 15.366 21.033) 26.579 2.070 ( -2.068 -12.834 15.568) 20.282 2.290 ( 6.584 17.665 13.160) 22.990 2.620 ( 3.230 -16.452 10.853) 19.973 3.128 ( 2.105 5.949 -1.009) 6.390 3.157 ( -3.758 2.971 -4.120) 6.318 3.431 ( -0.731 6.916 -0.886) 7.011 3.527 ( 3.577 -0.986 -3.051) 4.803 3.676 ( 2.617 -1.296 1.679) 3.369 3.731 ( 7.477 -4.973 -3.178) 9.525 4.163 ( 0.977 7.611 -5.466) 9.421 4.288 ( 1.608 -5.975 -1.118) 6.288 4.532 ( -3.057 0.610 1.649) 3.527 4.604 ( -2.046 -6.436 0.332) 6.761 5.272 ( -1.375 3.326 8.837) 9.542 5.310 ( 8.420 -1.415 15.012) 17.270 5.768 ( 8.438 19.389 6.349) 22.078 6.092 ( 4.089 0.774 1.867) 4.561 6.297 ( -3.796 9.001 3.857) 10.503 6.712 ( -5.523 -15.297 -0.624) 16.275 6.760 ( -1.703 -0.048 -5.395) 5.657 6.817 ( -6.713 -6.535 -10.046) 13.736 6.948 ( -7.738 -1.595 -13.956) 16.037 6.983 ( -0.310 -8.974 -10.780) 14.030 7.371 ( -6.113 4.137 -8.364) 11.155 7.448 ( -5.342 -4.057 -7.707) 10.217 7.803 ( -10.061 2.205 -4.808) 11.367 7.875 ( -8.999 -5.319 -3.117) 10.908 8.853 ( 4.382 8.099 2.686) 9.592 8.948 ( 5.525 -0.262 -0.913) 5.606 9.158 ( 4.240 8.326 5.675) 10.932 9.337 ( 3.074 -8.597 3.684) 9.845 11.029 ( 3.234 21.996 0.605) 22.240 11.371 ( 4.162 -12.636 -3.394) 13.730 11.991 ( -4.751 12.123 0.519) 13.031 12.249 ( -4.577 -13.459 -2.744) 14.478 12.662 ( 3.127 4.507 4.988) 7.414 12.749 ( 5.850 -4.553 4.631) 8.740 14.019 ( 1.316 4.046 3.760) 5.677 14.092 ( -0.303 -3.283 3.230) 4.616 14.399 ( -2.092 5.450 -10.977) 12.433 14.472 ( -0.786 -1.782 -10.847) 11.020 14.772 ( -0.553 15.804 -0.051) 15.814 15.001 ( -5.058 -4.525 -4.971) 8.413 15.209 ( 1.971 5.273 5.939) 8.183 15.340 ( 2.731 -0.493 3.842) 4.740 15.433 ( -1.247 -11.086 4.349) 11.974 15.483 ( 2.351 -12.024 5.510) 13.434 16.204 ( -1.604 7.348 0.792) 7.562 16.328 ( 0.523 -3.631 -4.700) 5.962 16.458 ( -0.568 1.456 1.229) 1.988 16.536 ( 2.008 -4.936 -0.043) 5.329 16.675 ( -0.988 0.919 2.154) 2.542 16.714 ( -2.696 -3.737 2.538) 5.261 16.895 ( 1.564 4.455 1.579) 4.978 17.002 ( 2.740 -6.851 0.238) 7.383 17.813 ( 0.241 6.784 0.101) 6.789 17.936 ( 0.241 -6.154 0.210) 6.162 18.285 ( -4.612 3.297 -8.580) 10.284 18.315 ( -3.573 0.176 -9.501) 10.153 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 8.811 15.137 9.678) 20.010 2.096 ( 5.428 -12.101 6.905) 14.952 2.421 ( 7.170 13.423 8.663) 17.511 2.688 ( 3.613 -13.721 6.993) 15.818 3.048 ( -5.644 3.550 -5.736) 8.795 3.126 ( -2.917 -4.469 -4.565) 7.023 3.376 ( -4.362 5.983 -1.925) 7.651 3.502 ( -5.746 -6.556 -3.289) 9.318 3.852 ( 11.482 5.204 1.221) 12.666 3.897 ( 8.227 -0.031 -3.637) 8.995 4.163 ( -1.437 6.332 -5.342) 8.409 4.279 ( -3.160 -6.002 -5.405) 8.673 4.521 ( 3.485 3.959 0.993) 5.367 4.599 ( 2.633 -4.378 -0.844) 5.178 5.293 ( 5.290 16.216 7.753) 18.736 5.558 ( 16.941 -11.556 15.723) 25.840 5.944 ( 9.169 16.223 8.722) 20.575 6.092 ( -5.998 27.562 -0.759) 28.217 6.270 ( 1.269 -14.919 2.603) 15.198 6.532 ( -13.098 -13.491 -8.888) 20.798 6.648 ( -10.358 -0.461 -5.592) 11.780 6.698 ( -6.445 -5.270 -3.658) 9.093 6.811 ( -2.832 2.471 -9.556) 10.269 6.985 ( 0.127 -15.804 -8.217) 17.813 7.215 ( -9.182 4.588 -6.064) 11.922 7.311 ( -8.501 -5.322 -5.114) 11.258 7.567 ( -14.232 2.587 -2.223) 14.635 7.657 ( -12.892 -6.776 -1.663) 14.659 8.963 ( 6.538 10.601 2.689) 12.742 9.064 ( 6.287 4.381 0.533) 7.682 9.256 ( 5.367 2.043 5.883) 8.221 9.405 ( 3.573 -9.156 4.495) 10.808 11.106 ( 4.489 23.257 0.241) 23.688 11.462 ( 4.796 -11.095 -3.676) 12.634 11.872 ( -7.288 10.251 0.494) 12.587 12.138 ( -6.677 -14.361 -3.175) 16.152 12.757 ( 7.061 7.283 2.670) 10.490 12.906 ( 10.306 -8.419 1.947) 13.450 14.033 ( -7.130 1.180 -4.061) 8.290 14.043 ( 0.141 0.026 0.990) 1.000 14.374 ( 0.102 5.387 -6.190) 8.206 14.424 ( -3.384 0.820 -7.971) 8.698 14.756 ( -1.257 7.569 -0.118) 7.673 14.882 ( -6.776 -4.422 -3.052) 8.648 15.242 ( 1.612 8.604 7.003) 11.210 15.373 ( 1.759 5.885 3.425) 7.032 15.476 ( 4.640 -13.639 7.483) 16.234 15.556 ( 5.037 -13.289 6.959) 15.824 16.168 ( -1.917 6.517 3.761) 7.765 16.304 ( -2.459 -7.594 2.531) 8.374 16.466 ( -0.045 5.125 -0.517) 5.152 16.548 ( -1.120 -2.908 0.442) 3.148 16.666 ( -0.531 0.085 1.273) 1.382 16.695 ( 2.803 -3.011 -1.565) 4.401 16.922 ( 0.942 5.047 1.376) 5.315 17.048 ( 1.649 -8.241 0.450) 8.416 17.820 ( 0.561 6.804 -0.036) 6.827 17.943 ( 0.467 -6.071 0.028) 6.089 18.172 ( -6.750 4.319 -6.696) 10.443 18.225 ( -5.528 -1.260 -6.145) 8.361 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 17.415 9.469 0.884) 19.843 2.263 ( 10.986 -6.516 0.195) 12.774 2.555 ( 6.130 6.635 6.085) 10.892 2.741 ( 1.108 -11.791 3.353) 12.308 2.956 ( -3.204 5.156 -6.260) 8.720 3.065 ( -2.345 -6.206 -6.535) 9.312 3.271 ( -6.557 4.095 -3.582) 8.520 3.361 ( -8.569 -5.192 -4.642) 11.043 3.948 ( 0.517 5.533 -1.914) 5.878 4.028 ( 3.072 -2.068 0.442) 3.729 4.106 ( -4.211 3.958 -2.475) 6.287 4.186 ( -5.740 -3.723 -2.682) 7.348 4.699 ( 15.210 2.853 -8.272) 17.547 4.750 ( 13.964 -2.469 -8.321) 16.441 5.489 ( 13.434 26.568 7.548) 30.713 5.844 ( -1.101 4.083 0.496) 4.258 5.987 ( 3.861 0.291 1.939) 4.331 6.086 ( -7.804 -0.455 -1.603) 7.980 6.127 ( 1.969 10.795 2.582) 11.273 6.360 ( -9.589 2.509 -1.487) 10.023 6.462 ( -1.836 -8.641 -1.305) 8.930 6.601 ( -3.566 -12.143 2.143) 12.836 6.800 ( -0.405 0.560 -4.774) 4.824 6.948 ( -5.689 -11.073 -5.855) 13.757 7.079 ( -3.342 -2.135 -5.182) 6.525 7.148 ( -8.051 -6.036 -3.064) 10.518 7.279 ( -14.624 4.569 0.674) 15.336 7.404 ( -13.129 -8.432 -0.110) 15.604 9.087 ( 6.183 12.227 3.341) 14.103 9.174 ( 4.667 9.787 2.228) 11.070 9.349 ( 4.292 -4.784 5.542) 8.487 9.458 ( 1.750 -9.681 4.916) 10.998 11.199 ( 5.416 23.878 -0.038) 24.484 11.531 ( 1.155 1.420 -4.240) 4.618 11.740 ( -4.938 -1.629 1.140) 5.323 12.002 ( -7.390 -16.596 -3.133) 18.435 12.938 ( 11.771 9.791 -0.830) 15.333 13.133 ( 13.293 -10.869 -1.584) 17.244 13.815 ( -14.725 7.904 -9.179) 19.067 13.960 ( -9.810 -7.354 -7.125) 14.180 14.380 ( 2.317 6.697 -1.242) 7.195 14.437 ( 3.773 0.810 2.191) 4.437 14.717 ( -2.984 1.096 0.342) 3.197 14.758 ( -5.969 -3.101 0.497) 6.744 15.288 ( 3.285 12.217 7.588) 14.752 15.410 ( 1.477 8.544 5.004) 10.011 15.568 ( 4.496 -14.157 7.326) 16.562 15.648 ( 3.712 -14.274 7.774) 16.672 16.151 ( 0.693 5.489 4.855) 7.361 16.269 ( -0.521 -6.984 4.740) 8.457 16.418 ( -4.620 4.475 2.832) 7.027 16.494 ( -4.332 -3.516 2.358) 6.057 16.704 ( 4.078 3.835 -1.220) 5.729 16.782 ( 5.502 -3.667 -2.595) 7.103 16.924 ( -0.798 4.623 0.649) 4.736 17.055 ( -1.053 -8.655 -0.112) 8.719 17.836 ( 1.193 6.729 -0.341) 6.843 17.955 ( 0.857 -5.715 -0.332) 5.789 18.043 ( -6.361 5.124 -4.038) 9.112 18.118 ( -5.244 -2.804 -3.490) 6.895 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 14.077 3.824 -1.028) 14.623 2.470 ( 9.454 0.082 -1.186) 9.528 2.605 ( -1.486 -0.804 1.708) 2.402 2.685 ( -7.137 -7.898 -0.886) 10.682 2.976 ( 5.756 4.632 -5.315) 9.102 3.072 ( 3.373 -4.995 -6.439) 8.820 3.126 ( -8.287 1.940 -4.969) 9.856 3.193 ( -8.338 -4.414 -5.667) 11.005 3.952 ( 1.173 6.298 0.802) 6.457 4.007 ( -4.064 5.180 0.550) 6.607 4.053 ( -0.048 -4.136 0.833) 4.220 4.089 ( -3.811 -3.123 0.062) 4.927 5.078 ( 22.916 2.369 -14.990) 27.485 5.107 ( 22.350 -0.596 -14.839) 26.834 5.492 ( -17.970 9.912 -13.729) 24.691 5.581 ( -25.199 -1.761 -16.329) 30.079 5.877 ( 11.970 27.324 6.406) 30.511 6.113 ( -10.985 22.077 4.521) 25.070 6.305 ( 8.967 -1.023 6.121) 10.905 6.361 ( 10.564 -6.370 6.256) 13.832 6.480 ( 4.543 -1.871 2.227) 5.395 6.592 ( 4.295 -20.535 5.849) 21.779 6.724 ( -9.435 -2.193 -1.958) 9.882 6.777 ( -11.305 -12.290 4.963) 17.421 7.013 ( -3.833 3.828 -2.816) 6.105 7.029 ( -3.612 1.455 -1.759) 4.273 7.126 ( -0.148 -7.981 -2.616) 8.400 7.195 ( -7.427 -10.119 -2.240) 12.751 9.187 ( 3.896 13.684 3.883) 14.749 9.224 ( 0.290 13.920 3.660) 14.396 9.421 ( 3.219 -9.925 4.876) 11.517 9.465 ( -1.099 -10.411 4.827) 11.528 11.318 ( 7.036 23.664 -0.691) 24.698 11.460 ( -7.169 21.716 -2.230) 22.977 11.746 ( 4.545 -20.053 -0.840) 20.579 11.862 ( -7.021 -19.228 -2.431) 20.613 13.198 ( 15.203 10.948 -4.583) 19.287 13.406 ( 14.564 -10.315 -5.403) 18.646 13.510 ( -15.958 9.638 -7.689) 20.166 13.706 ( -15.299 -10.345 -8.214) 20.213 14.467 ( 5.376 6.978 2.372) 9.123 14.510 ( 2.433 4.240 3.111) 5.795 14.645 ( -3.424 -3.747 1.464) 5.283 14.662 ( -3.976 -3.853 3.171) 6.380 15.358 ( 3.655 13.232 7.253) 15.526 15.411 ( -1.535 11.997 6.287) 13.632 15.640 ( 3.066 -15.796 7.364) 17.695 15.678 ( -0.538 -15.548 7.564) 17.298 16.203 ( 4.650 4.838 4.935) 8.329 16.301 ( 3.820 -5.493 4.825) 8.249 16.311 ( -6.085 4.565 4.384) 8.780 16.396 ( -5.531 -4.412 3.935) 8.096 16.792 ( 4.616 5.622 -0.973) 7.339 16.858 ( -0.716 5.066 -0.633) 5.155 16.921 ( 3.328 -5.537 -1.533) 6.640 17.006 ( -3.954 -8.202 -1.067) 9.168 17.870 ( 2.486 6.498 -0.915) 7.017 17.936 ( -4.378 5.906 -2.047) 7.631 17.982 ( 1.763 -5.148 -0.824) 5.504 18.033 ( -3.575 -4.220 -1.760) 5.804 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 0.000 21.021) 21.021 1.952 ( 0.000 0.000 28.389) 28.389 2.693 ( 0.000 0.000 -2.546) 2.546 2.731 ( 0.000 0.000 -2.760) 2.760 2.901 ( 0.000 0.000 33.017) 33.017 3.057 ( 0.000 0.000 -8.267) 8.267 3.189 ( 0.000 0.000 2.398) 2.398 3.624 ( 0.000 0.000 5.456) 5.456 3.691 ( 0.000 0.000 -8.878) 8.878 3.727 ( 0.000 0.000 -7.474) 7.474 3.952 ( 0.000 0.000 -3.315) 3.315 4.588 ( 0.000 0.000 -1.238) 1.238 4.763 ( 0.000 0.000 11.456) 11.456 4.813 ( 0.000 0.000 -9.674) 9.674 5.085 ( 0.000 0.000 -2.625) 2.625 5.113 ( 0.000 0.000 9.079) 9.079 5.398 ( 0.000 0.000 22.279) 22.279 5.694 ( 0.000 0.000 16.987) 16.987 6.550 ( 0.000 0.000 -21.724) 21.724 6.665 ( 0.000 0.000 -6.285) 6.285 6.850 ( 0.000 0.000 -18.557) 18.557 7.040 ( 0.000 0.000 -14.755) 14.755 7.140 ( 0.000 0.000 -3.738) 3.738 7.220 ( 0.000 0.000 6.385) 6.385 7.461 ( 0.000 0.000 -11.710) 11.710 7.521 ( 0.000 0.000 -1.132) 1.132 8.075 ( 0.000 0.000 6.575) 6.575 8.102 ( 0.000 0.000 -3.408) 3.408 8.215 ( 0.000 0.000 3.800) 3.800 8.571 ( 0.000 0.000 -15.625) 15.625 9.037 ( 0.000 0.000 9.740) 9.740 9.378 ( 0.000 0.000 -1.813) 1.813 10.256 ( 0.000 0.000 11.270) 11.270 11.023 ( 0.000 0.000 -7.103) 7.103 12.165 ( 0.000 0.000 6.657) 6.657 12.661 ( 0.000 0.000 11.652) 11.652 12.666 ( 0.000 0.000 -5.620) 5.620 12.852 ( 0.000 0.000 8.585) 8.585 13.874 ( 0.000 0.000 3.666) 3.666 13.899 ( 0.000 0.000 -11.735) 11.735 14.124 ( 0.000 0.000 -15.747) 15.747 14.453 ( 0.000 0.000 11.676) 11.676 14.521 ( 0.000 0.000 -8.552) 8.552 14.644 ( 0.000 0.000 6.154) 6.154 15.222 ( 0.000 0.000 -3.795) 3.795 15.412 ( 0.000 0.000 -6.416) 6.416 15.873 ( 0.000 0.000 1.550) 1.550 16.025 ( 0.000 0.000 4.561) 4.561 16.064 ( 0.000 0.000 -5.198) 5.198 16.354 ( 0.000 0.000 0.161) 0.161 16.629 ( 0.000 0.000 7.709) 7.709 16.707 ( 0.000 0.000 1.243) 1.243 16.711 ( 0.000 0.000 2.774) 2.774 16.749 ( 0.000 0.000 2.180) 2.180 17.096 ( 0.000 0.000 -7.009) 7.009 17.553 ( 0.000 0.000 -10.473) 10.473 17.568 ( 0.000 0.000 -0.111) 0.111 17.582 ( 0.000 0.000 -0.723) 0.723 18.124 ( 0.000 0.000 0.441) 0.441 18.133 ( 0.000 0.000 -0.534) 0.534 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 14.826 0.000 19.259) 24.304 1.738 ( -13.828 0.000 30.251) 33.262 2.679 ( -1.261 0.000 -3.858) 4.059 2.754 ( 2.039 0.000 0.750) 2.173 3.063 ( 0.634 0.000 -10.554) 10.573 3.135 ( 0.001 0.000 -0.768) 0.768 3.248 ( 23.783 0.000 30.180) 38.425 3.519 ( -6.940 0.000 -2.030) 7.231 3.700 ( -2.764 0.000 -7.650) 8.134 3.794 ( 3.302 0.000 -6.264) 7.081 3.958 ( 3.239 0.000 1.252) 3.473 4.523 ( -6.546 0.000 2.712) 7.086 4.647 ( -11.100 0.000 14.004) 17.870 4.760 ( -6.252 0.000 -5.865) 8.572 4.863 ( -12.649 0.000 -0.426) 12.656 4.925 ( -10.916 0.000 0.527) 10.929 5.775 ( 25.159 0.000 20.921) 32.721 5.779 ( 5.782 0.000 12.029) 13.346 6.511 ( -4.636 0.000 -21.415) 21.911 6.576 ( -7.987 0.000 -13.646) 15.812 6.779 ( -8.654 0.000 -11.022) 14.014 6.971 ( -6.733 0.000 -13.483) 15.070 7.070 ( -7.219 0.000 -4.421) 8.465 7.260 ( 3.856 0.000 6.187) 7.290 7.425 ( -1.425 0.000 -9.279) 9.388 7.530 ( 0.757 0.000 -1.082) 1.321 8.014 ( -8.277 0.000 -2.673) 8.698 8.179 ( 8.908 0.000 5.091) 10.260 8.267 ( 5.044 0.000 3.558) 6.172 8.375 ( -15.858 0.000 -10.065) 18.782 9.202 ( 12.853 0.000 5.873) 14.132 9.458 ( 7.723 0.000 -1.974) 7.971 10.259 ( 0.410 0.000 10.992) 11.000 11.011 ( -1.554 0.000 -6.366) 6.553 12.189 ( 2.549 0.000 6.021) 6.538 12.608 ( -4.606 0.000 9.541) 10.595 12.639 ( -3.020 0.000 -3.997) 5.009 12.941 ( 9.191 0.000 5.093) 10.508 13.905 ( 0.314 0.000 -12.692) 12.696 13.909 ( -11.827 0.000 -16.418) 20.234 14.013 ( 6.873 0.000 5.458) 8.776 14.389 ( -4.587 0.000 11.085) 11.996 14.638 ( 8.220 0.000 -5.778) 10.048 14.705 ( 4.283 0.000 6.163) 7.505 15.222 ( -0.137 0.000 -4.212) 4.214 15.346 ( -6.408 0.000 -6.484) 9.116 15.883 ( 1.198 0.000 1.795) 2.158 16.043 ( 2.486 0.000 6.866) 7.302 16.095 ( 3.203 0.000 -4.952) 5.897 16.400 ( 3.981 0.000 2.426) 4.662 16.587 ( -2.187 0.000 3.723) 4.318 16.680 ( -2.781 0.000 3.025) 4.109 16.750 ( -0.335 0.000 1.697) 1.730 16.760 ( 3.358 0.000 3.428) 4.798 17.028 ( -5.631 0.000 -4.838) 7.424 17.565 ( -0.173 0.000 -0.005) 0.174 17.588 ( 2.253 0.000 -11.751) 11.965 17.591 ( 0.697 0.000 -0.560) 0.894 18.123 ( -0.149 0.000 0.291) 0.327 18.129 ( -0.329 0.000 -0.378) 0.501 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 5.442 0.000 21.942) 22.607 1.696 ( 22.339 0.000 16.023) 27.491 2.644 ( -1.990 0.000 -4.883) 5.273 2.794 ( 1.787 0.000 7.036) 7.260 3.080 ( 1.076 0.000 -13.201) 13.244 3.119 ( -0.437 0.000 -1.365) 1.433 3.344 ( -9.754 0.000 -3.117) 10.239 3.620 ( -5.851 0.000 -7.841) 9.784 3.660 ( 4.583 0.000 -4.226) 6.234 3.841 ( 12.221 0.000 12.181) 17.255 4.115 ( 12.342 0.000 9.436) 15.536 4.398 ( -3.705 0.000 6.044) 7.089 4.445 ( -9.018 0.000 3.291) 9.599 4.597 ( -7.824 0.000 0.901) 7.876 4.636 ( -12.511 0.000 -1.984) 12.668 4.793 ( -3.882 0.000 -2.239) 4.482 5.871 ( 4.420 0.000 8.573) 9.645 6.191 ( 12.635 0.000 4.568) 13.435 6.350 ( -12.543 0.000 -19.124) 22.870 6.350 ( -15.520 0.000 -13.542) 20.598 6.623 ( -0.819 0.000 0.757) 1.115 6.806 ( -9.880 0.000 -11.207) 14.941 6.879 ( -11.870 0.000 -6.241) 13.411 7.354 ( 5.330 0.000 6.044) 8.059 7.434 ( 1.345 0.000 -4.584) 4.777 7.525 ( -2.279 0.000 -1.384) 2.666 7.840 ( -8.267 0.000 -1.005) 8.328 8.059 ( -15.935 0.000 -7.228) 17.497 8.353 ( 8.393 0.000 4.223) 9.396 8.385 ( 6.802 0.000 3.031) 7.447 9.445 ( 11.886 0.000 5.564) 13.124 9.638 ( 10.198 0.000 -0.100) 10.199 10.275 ( 1.329 0.000 9.515) 9.607 10.950 ( -5.002 0.000 -4.394) 6.658 12.263 ( 5.031 0.000 4.517) 6.761 12.531 ( -2.437 0.000 5.637) 6.141 12.569 ( -3.624 0.000 -1.776) 4.036 13.166 ( 12.989 0.000 -1.422) 13.067 13.583 ( -18.626 0.000 -17.875) 25.815 13.883 ( -3.335 0.000 -13.782) 14.180 14.254 ( 14.144 0.000 9.994) 17.319 14.337 ( 0.140 0.000 10.299) 10.300 14.762 ( 1.355 0.000 5.279) 5.450 14.764 ( 4.510 0.000 -1.144) 4.653 15.166 ( -7.385 0.000 -6.053) 9.549 15.244 ( -1.781 0.000 -2.829) 3.343 15.924 ( 3.169 0.000 2.654) 4.134 16.124 ( 5.479 0.000 8.701) 10.282 16.178 ( 5.170 0.000 -3.619) 6.311 16.461 ( 1.470 0.000 7.830) 7.967 16.596 ( 3.782 0.000 0.663) 3.839 16.614 ( -3.954 0.000 3.217) 5.098 16.729 ( -1.827 0.000 0.845) 2.013 16.789 ( -1.257 0.000 2.883) 3.145 16.945 ( -1.419 0.000 -2.523) 2.894 17.564 ( 0.070 0.000 0.221) 0.232 17.594 ( -2.153 0.000 -11.546) 11.745 17.603 ( 0.519 0.000 -0.214) 0.561 18.117 ( -0.460 0.000 -0.143) 0.482 18.124 ( -0.208 0.000 0.041) 0.211 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 21.380 0.000 8.279) 22.927 2.142 ( 23.248 0.000 12.752) 26.516 2.624 ( 0.237 0.000 -4.903) 4.909 2.810 ( -0.469 0.000 8.691) 8.704 3.049 ( -8.086 0.000 -4.907) 9.459 3.109 ( 2.349 0.000 -10.740) 10.994 3.157 ( -10.040 0.000 -12.292) 15.871 3.478 ( -8.577 0.000 -7.121) 11.148 3.652 ( 1.808 0.000 1.275) 2.212 3.993 ( 0.041 0.000 1.661) 1.661 4.259 ( -8.500 0.000 -2.810) 8.952 4.358 ( -11.994 0.000 -1.412) 12.077 4.436 ( 13.409 0.000 18.103) 22.528 4.520 ( 10.994 0.000 -0.018) 10.994 4.538 ( 4.469 0.000 1.069) 4.595 4.765 ( 3.376 0.000 -4.540) 5.658 5.875 ( -26.569 0.000 -21.859) 34.405 5.948 ( -3.239 0.000 -5.008) 5.964 6.062 ( -9.812 0.000 -3.644) 10.467 6.322 ( 0.019 0.000 -4.439) 4.439 6.610 ( -10.488 0.000 -6.773) 12.485 6.648 ( -11.551 0.000 -9.198) 14.766 6.834 ( 17.041 0.000 12.924) 21.388 7.402 ( -3.733 0.000 -2.301) 4.385 7.435 ( -1.973 0.000 0.545) 2.047 7.451 ( -2.310 0.000 2.945) 3.743 7.730 ( -3.762 0.000 0.320) 3.775 7.825 ( -6.811 0.000 -4.069) 7.934 8.485 ( 5.471 0.000 3.829) 6.677 8.507 ( 5.231 0.000 2.974) 6.017 9.648 ( 9.358 0.000 6.516) 11.403 9.810 ( 6.721 0.000 4.319) 7.989 10.322 ( 4.181 0.000 5.829) 7.174 10.819 ( -8.548 0.000 -2.238) 8.836 12.367 ( 5.393 0.000 2.856) 6.103 12.515 ( -1.933 0.000 -0.369) 1.968 12.538 ( 3.497 0.000 1.386) 3.761 13.228 ( -18.007 0.000 -14.452) 23.090 13.395 ( 10.333 0.000 -6.991) 12.475 13.783 ( -6.314 0.000 -13.146) 14.584 14.398 ( 5.608 0.000 8.058) 9.818 14.507 ( 11.657 0.000 10.214) 15.499 14.752 ( -2.545 0.000 5.978) 6.497 14.810 ( 0.427 0.000 2.562) 2.597 15.039 ( -4.132 0.000 -3.074) 5.150 15.208 ( -2.896 0.000 -2.980) 4.155 16.008 ( 5.654 0.000 4.211) 7.050 16.231 ( 5.431 0.000 8.054) 9.714 16.269 ( 3.213 0.000 0.223) 3.220 16.467 ( -0.661 0.000 7.970) 7.998 16.541 ( -2.968 0.000 1.897) 3.523 16.682 ( -3.119 0.000 -0.000) 3.119 16.682 ( 3.233 0.000 4.567) 5.596 16.736 ( -2.271 0.000 3.628) 4.281 16.990 ( 5.638 0.000 -3.614) 6.696 17.505 ( -6.979 0.000 -9.484) 11.775 17.569 ( 0.479 0.000 0.344) 0.589 17.607 ( -0.163 0.000 0.141) 0.216 18.110 ( -0.242 0.000 -0.140) 0.280 18.119 ( -0.276 0.000 -0.041) 0.279 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 21.938 0.000 1.653) 22.001 2.539 ( 17.000 0.000 9.514) 19.482 2.629 ( -3.144 0.000 -0.577) 3.196 2.756 ( -6.006 0.000 7.740) 9.797 2.878 ( -6.541 0.000 -10.582) 12.441 2.939 ( -10.731 0.000 -17.459) 20.494 3.179 ( 5.119 0.000 -7.122) 8.771 3.311 ( -8.427 0.000 -6.253) 10.494 3.759 ( 8.015 0.000 4.407) 9.147 3.912 ( -7.109 0.000 2.658) 7.589 4.134 ( -3.625 0.000 -2.427) 4.363 4.158 ( -6.611 0.000 -1.325) 6.743 4.529 ( 3.389 0.000 4.320) 5.491 4.591 ( -2.311 0.000 5.481) 5.948 4.862 ( 22.839 0.000 -9.958) 24.915 5.081 ( 24.491 0.000 -4.588) 24.917 5.350 ( -27.381 0.000 -16.744) 32.095 5.564 ( -25.000 0.000 -11.367) 27.462 6.184 ( 10.954 0.000 5.294) 12.166 6.345 ( 3.263 0.000 -10.390) 10.890 6.402 ( -11.343 0.000 -0.516) 11.355 6.455 ( -8.165 0.000 -10.834) 13.566 7.138 ( 13.727 0.000 10.440) 17.246 7.328 ( -1.173 0.000 -4.616) 4.763 7.344 ( -7.716 0.000 5.675) 9.578 7.373 ( -5.086 0.000 -2.307) 5.585 7.718 ( 1.948 0.000 1.780) 2.639 7.760 ( -2.121 0.000 0.820) 2.274 8.561 ( 2.381 0.000 3.483) 4.219 8.571 ( 1.428 0.000 3.223) 3.525 9.798 ( 6.079 0.000 7.664) 9.782 9.868 ( -0.739 0.000 7.681) 7.717 10.448 ( 8.785 0.000 1.732) 8.954 10.636 ( -10.224 0.000 -0.424) 10.233 12.451 ( 3.082 0.000 1.659) 3.500 12.488 ( -1.229 0.000 0.732) 1.430 12.668 ( 9.935 0.000 -3.569) 10.556 12.909 ( -15.027 0.000 -9.184) 17.611 13.553 ( 6.521 0.000 -10.803) 12.618 13.666 ( -5.788 0.000 -12.727) 13.981 14.526 ( 7.242 0.000 7.492) 10.420 14.662 ( -6.534 0.000 7.380) 9.857 14.687 ( 7.167 0.000 8.263) 10.938 14.784 ( -3.130 0.000 5.511) 6.338 15.036 ( 3.391 0.000 -2.144) 4.012 15.128 ( -5.176 0.000 -2.481) 5.740 16.133 ( 7.083 0.000 5.804) 9.157 16.255 ( -4.665 0.000 5.532) 7.236 16.331 ( 5.059 0.000 6.514) 8.247 16.421 ( -4.062 0.000 6.411) 7.590 16.540 ( 2.851 0.000 -1.200) 3.094 16.612 ( -4.021 0.000 -0.847) 4.110 16.705 ( 1.122 0.000 6.250) 6.350 16.727 ( -0.543 0.000 7.699) 7.718 17.145 ( 9.887 0.000 -5.698) 11.411 17.340 ( -9.890 0.000 -7.277) 12.279 17.582 ( 0.833 0.000 0.378) 0.915 17.598 ( -0.757 0.000 0.337) 0.829 18.109 ( 0.138 0.000 -0.138) 0.195 18.114 ( -0.323 0.000 -0.132) 0.349 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 27.516 15.335) 31.501 2.037 ( 0.000 8.813 26.917) 28.323 2.631 ( 0.000 -3.913 3.384) 5.173 2.836 ( 0.000 7.982 -5.641) 9.774 2.919 ( 0.000 2.143 29.584) 29.662 3.134 ( 0.000 7.467 -8.193) 11.085 3.157 ( 0.000 -3.238 4.477) 5.525 3.563 ( 0.000 -5.546 4.002) 6.839 3.682 ( 0.000 -0.617 -10.550) 10.568 3.763 ( 0.000 2.274 -5.214) 5.688 3.894 ( 0.000 -5.064 -1.965) 5.432 4.608 ( 0.000 -9.708 -2.203) 9.955 4.689 ( 0.000 6.836 -5.937) 9.054 4.963 ( 0.000 4.035 13.000) 13.612 5.042 ( 0.000 -0.019 3.316) 3.316 5.183 ( 0.000 12.088 -0.739) 12.110 5.427 ( 0.000 2.694 21.254) 21.424 5.691 ( 0.000 -0.193 16.922) 16.923 6.542 ( 0.000 -0.926 -19.987) 20.008 6.653 ( 0.000 -1.162 -7.078) 7.172 6.820 ( 0.000 -3.009 -18.686) 18.927 6.966 ( 0.000 -6.686 -11.350) 13.173 7.125 ( 0.000 -9.872 5.877) 11.489 7.169 ( 0.000 1.888 -5.335) 5.659 7.430 ( 0.000 -8.197 -1.974) 8.432 7.436 ( 0.000 -2.428 -11.448) 11.702 7.892 ( 0.000 -8.557 -1.341) 8.661 8.129 ( 0.000 -7.409 -1.176) 7.502 8.383 ( 0.000 17.301 1.947) 17.410 8.653 ( 0.000 7.074 -9.785) 12.074 9.071 ( 0.000 3.114 10.373) 10.830 9.408 ( 0.000 2.396 -1.115) 2.642 10.369 ( 0.000 11.811 9.473) 15.140 11.087 ( 0.000 6.592 -7.662) 10.107 12.126 ( 0.000 -3.912 6.693) 7.752 12.605 ( 0.000 -6.220 -5.148) 8.074 12.681 ( 0.000 1.978 11.538) 11.707 12.862 ( 0.000 0.866 8.913) 8.955 13.914 ( 0.000 3.975 4.175) 5.764 13.930 ( 0.000 3.333 -11.687) 12.153 14.128 ( 0.000 0.771 -15.958) 15.977 14.442 ( 0.000 -5.811 -2.828) 6.463 14.496 ( 0.000 4.323 10.105) 10.991 14.737 ( 0.000 7.300 0.390) 7.311 15.213 ( 0.000 -0.778 -3.332) 3.421 15.388 ( 0.000 -2.224 -5.334) 5.779 15.874 ( 0.000 -0.392 1.355) 1.410 15.944 ( 0.000 -7.385 3.304) 8.091 16.098 ( 0.000 2.358 -4.194) 4.812 16.273 ( 0.000 -7.794 0.729) 7.828 16.610 ( 0.000 -1.800 6.837) 7.070 16.682 ( 0.000 -1.935 1.783) 2.631 16.713 ( 0.000 0.241 2.725) 2.735 16.775 ( 0.000 2.036 1.639) 2.613 17.073 ( 0.000 -2.367 -6.000) 6.450 17.280 ( 0.000 -15.325 -1.245) 15.376 17.601 ( 0.000 3.470 -0.049) 3.470 17.825 ( 0.000 12.221 -9.943) 15.755 18.104 ( 0.000 -2.187 0.390) 2.221 18.147 ( 0.000 1.358 -1.675) 2.156 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 10.646 24.412 14.675) 30.408 1.814 ( -14.437 7.863 28.818) 33.177 2.622 ( -0.842 -4.306 2.084) 4.857 2.837 ( 0.014 6.633 -2.234) 6.999 3.082 ( -1.546 -0.565 -4.727) 5.006 3.169 ( 2.134 5.159 -4.028) 6.884 3.255 ( 21.794 0.663 25.348) 33.436 3.487 ( -5.045 -2.823 -2.839) 6.441 3.689 ( -3.325 -3.180 -5.230) 6.966 3.781 ( 1.313 0.250 -7.034) 7.160 3.908 ( 3.845 -3.572 1.359) 5.421 4.558 ( -4.622 -4.533 2.821) 7.061 4.624 ( -6.854 1.644 -3.192) 7.738 4.757 ( -13.923 4.045 7.840) 16.482 4.911 ( -10.751 2.047 5.177) 12.107 5.093 ( -4.801 19.396 -3.171) 20.231 5.758 ( 22.060 -1.900 20.214) 29.981 5.772 ( 7.278 -0.078 13.477) 15.316 6.499 ( -5.177 -1.127 -20.567) 21.238 6.563 ( -7.699 -1.290 -13.164) 15.304 6.749 ( -8.579 -2.985 -11.424) 14.596 6.910 ( -5.325 -5.512 -10.584) 13.067 7.101 ( -6.439 1.707 -5.310) 8.519 7.167 ( 3.514 -9.073 5.470) 11.162 7.372 ( -1.795 -5.452 -6.714) 8.833 7.473 ( 1.120 -4.836 -4.465) 6.677 7.855 ( -4.694 -10.075 -2.065) 11.305 8.100 ( -4.737 -10.330 -3.848) 11.999 8.416 ( 3.792 16.910 2.821) 17.558 8.562 ( -4.505 12.398 -2.602) 13.445 9.217 ( 11.693 1.228 6.762) 13.563 9.481 ( 6.976 1.608 -1.062) 7.237 10.374 ( 0.575 12.037 9.190) 15.155 11.080 ( -1.070 7.179 -7.037) 10.110 12.141 ( 1.651 -4.887 6.083) 7.976 12.554 ( -4.834 -5.805 -1.225) 7.653 12.659 ( -1.954 2.335 6.733) 7.389 12.944 ( 8.350 0.081 6.004) 10.285 13.929 ( 0.314 2.514 -11.372) 11.651 13.941 ( -13.246 3.092 -17.932) 22.507 14.035 ( 8.004 2.419 5.641) 10.087 14.381 ( -3.771 -0.873 7.563) 8.496 14.611 ( 7.344 -0.531 2.038) 7.640 14.784 ( 3.546 5.994 0.261) 6.969 15.213 ( -0.182 -0.776 -3.678) 3.764 15.332 ( -5.326 -1.171 -5.284) 7.594 15.881 ( 0.922 -1.046 1.834) 2.304 15.970 ( 3.236 -6.465 5.261) 8.941 16.126 ( 2.832 2.095 -3.614) 5.047 16.323 ( 4.316 -7.211 2.687) 8.823 16.571 ( -2.171 -1.535 3.508) 4.401 16.677 ( -2.391 -0.503 3.085) 3.935 16.724 ( 1.479 -1.407 2.478) 3.211 16.787 ( 0.933 1.725 2.077) 2.857 16.992 ( -6.005 -3.792 -3.473) 7.906 17.340 ( 4.051 -12.894 -3.251) 13.901 17.603 ( 0.131 3.502 0.042) 3.505 17.814 ( -1.274 10.912 -9.213) 14.338 18.104 ( -0.048 -2.159 0.329) 2.184 18.143 ( -0.459 1.303 -1.658) 2.158 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 4.012 6.167 20.970) 22.224 1.885 ( 17.257 16.526 13.570) 27.478 2.603 ( -0.686 -3.983 -1.170) 4.208 2.824 ( -1.103 2.915 4.539) 5.506 3.083 ( 1.634 -0.597 -7.280) 7.485 3.164 ( -2.322 3.918 -4.209) 6.201 3.319 ( -8.805 -2.981 -4.889) 10.503 3.551 ( -4.923 -5.980 -2.478) 8.132 3.658 ( 3.330 -0.049 -5.879) 6.757 3.856 ( 10.895 1.693 5.865) 12.489 4.041 ( 9.351 -4.912 5.797) 12.049 4.448 ( -9.371 -7.483 -2.507) 12.251 4.483 ( -3.316 4.794 11.335) 12.746 4.570 ( -3.706 12.717 -0.774) 13.269 4.729 ( -7.589 3.005 2.623) 8.574 4.990 ( -5.668 20.873 -2.048) 21.725 5.874 ( 5.105 0.896 9.007) 10.392 6.159 ( 12.027 -3.197 4.855) 13.358 6.307 ( -12.392 -2.368 -13.057) 18.156 6.379 ( -13.234 0.875 -17.526) 21.979 6.578 ( -3.479 -4.149 -1.146) 5.534 6.786 ( -6.785 -1.988 -7.639) 10.409 6.923 ( -11.079 3.499 -7.539) 13.850 7.256 ( 5.051 -9.970 5.820) 12.601 7.376 ( 1.058 -5.590 -3.475) 6.667 7.465 ( -2.696 -5.332 -2.966) 6.670 7.725 ( -7.384 -10.546 -1.100) 12.921 7.925 ( -11.833 -10.090 -5.915) 16.638 8.518 ( 6.025 14.272 3.548) 15.893 8.567 ( 3.899 14.843 1.786) 15.450 9.443 ( 11.293 -0.482 6.001) 12.798 9.640 ( 8.827 -0.400 0.789) 8.872 10.395 ( 1.732 12.646 7.789) 14.953 11.030 ( -4.444 8.406 -5.201) 10.838 12.192 ( 3.530 -7.235 4.516) 9.230 12.459 ( -4.268 -6.181 -0.692) 7.543 12.625 ( -0.900 4.271 4.123) 6.004 13.149 ( 11.932 -1.882 0.094) 12.080 13.627 ( -17.443 4.517 -17.378) 25.033 13.909 ( -3.269 2.550 -14.068) 14.666 14.230 ( 8.982 -1.504 9.559) 13.203 14.360 ( 3.601 1.861 8.341) 9.274 14.718 ( 3.555 -1.291 3.530) 5.174 14.833 ( 1.263 3.486 0.131) 3.710 15.165 ( -5.570 0.389 -4.043) 6.893 15.253 ( -1.297 1.208 -2.251) 2.865 15.920 ( 3.320 -1.130 2.778) 4.474 16.067 ( 6.383 -5.151 7.177) 10.899 16.196 ( 4.188 0.762 -1.832) 4.634 16.394 ( 2.108 -5.810 6.995) 9.335 16.571 ( 2.517 -2.610 1.206) 3.821 16.616 ( -3.625 0.098 3.163) 4.812 16.733 ( -0.467 0.048 0.624) 0.781 16.778 ( -2.904 -1.241 2.288) 3.900 16.916 ( -0.639 -2.575 -1.395) 2.997 17.393 ( 1.102 -10.979 -4.349) 11.860 17.606 ( 0.249 3.592 0.137) 3.603 17.773 ( -2.928 8.760 -6.890) 11.523 18.102 ( -0.117 -2.038 0.129) 2.046 18.130 ( -0.854 0.827 -1.340) 1.791 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 20.133 2.667 8.176) 21.892 2.232 ( 17.855 7.780 11.181) 22.458 2.620 ( 3.004 -0.405 -4.313) 5.271 2.799 ( -1.878 -0.882 6.761) 7.073 3.061 ( -8.031 1.114 -3.695) 8.910 3.113 ( -1.731 -1.567 -9.062) 9.358 3.132 ( -7.786 -2.280 -11.191) 13.822 3.421 ( -7.362 -4.775 -4.734) 9.971 3.684 ( 2.454 3.440 -0.369) 4.242 3.967 ( -0.237 -1.646 0.024) 1.663 4.205 ( 0.464 -4.914 2.364) 5.473 4.279 ( -7.819 -4.868 -1.779) 9.381 4.455 ( 6.204 4.611 -0.558) 7.750 4.645 ( 1.633 3.761 -0.178) 4.104 4.706 ( 11.159 16.218 7.602) 21.103 4.910 ( 0.132 17.892 -0.759) 17.908 5.842 ( -25.340 -2.598 -21.164) 33.118 5.961 ( -2.812 1.627 -4.401) 5.470 6.096 ( -9.482 3.213 -2.790) 10.393 6.321 ( 0.083 0.110 -4.514) 4.516 6.582 ( -5.328 -2.085 -3.988) 6.974 6.702 ( -9.245 3.194 -5.535) 11.238 6.818 ( 12.514 -0.971 7.619) 14.683 7.297 ( -3.071 -9.561 -1.058) 10.097 7.365 ( -5.765 -8.188 0.173) 10.015 7.388 ( -0.281 -5.379 1.315) 5.544 7.622 ( -3.023 -10.449 0.720) 10.901 7.733 ( -6.667 -8.764 -3.197) 11.467 8.625 ( 4.897 12.884 3.520) 14.225 8.654 ( 4.228 13.817 2.513) 14.667 9.638 ( 8.903 -1.529 6.584) 11.179 9.786 ( 5.653 -2.745 4.418) 7.682 10.450 ( 4.327 13.213 4.758) 14.695 10.909 ( -8.008 9.556 -2.989) 12.821 12.265 ( 3.780 -9.840 2.497) 10.833 12.402 ( -1.898 -7.974 -1.652) 8.362 12.650 ( 3.871 6.933 2.082) 8.209 13.275 ( -13.048 3.962 -12.069) 18.211 13.388 ( 6.558 -0.395 -6.670) 9.362 13.807 ( -6.689 2.208 -13.592) 15.309 14.357 ( 6.132 -3.033 7.725) 10.318 14.495 ( 6.950 -1.286 8.263) 10.874 14.750 ( 0.242 0.220 4.782) 4.793 14.835 ( -0.871 0.924 1.613) 2.053 15.078 ( -2.267 4.470 -0.276) 5.019 15.230 ( -2.066 2.616 -1.809) 3.793 16.010 ( 6.029 -0.504 4.214) 7.373 16.187 ( 5.591 -4.065 7.877) 10.480 16.272 ( 3.384 -1.292 0.828) 3.716 16.396 ( -2.014 -5.188 7.458) 9.306 16.552 ( -2.584 0.426 1.968) 3.276 16.620 ( 0.632 -4.342 3.661) 5.715 16.708 ( -2.196 -0.851 2.209) 3.229 16.732 ( 0.296 1.414 1.787) 2.298 16.959 ( 4.896 -2.921 -2.772) 6.339 17.373 ( -3.447 -9.331 -5.243) 11.244 17.613 ( 0.503 3.880 0.088) 3.913 17.711 ( -3.228 7.205 -3.472) 8.625 18.099 ( -0.161 -1.781 -0.139) 1.794 18.114 ( -0.778 -0.171 -0.779) 1.114 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 20.945 0.282 1.383) 20.993 2.512 ( 9.556 -1.738 5.773) 11.299 2.682 ( -1.549 3.248 2.119) 4.176 2.751 ( -2.814 -0.115 2.864) 4.016 2.874 ( -7.473 -1.894 -11.764) 14.065 2.941 ( -6.896 1.076 -10.015) 12.207 3.159 ( 3.413 -2.512 -6.334) 7.621 3.271 ( -7.857 -4.060 -5.439) 10.382 3.779 ( 6.671 2.638 4.129) 8.277 3.902 ( -5.538 -0.090 2.351) 6.017 4.129 ( -3.187 -0.683 -0.805) 3.358 4.147 ( -5.052 -0.446 -0.533) 5.100 4.623 ( 6.412 7.628 -1.727) 10.113 4.729 ( -4.526 13.949 -0.697) 14.682 4.847 ( 20.310 -0.874 -10.991) 23.110 5.166 ( 16.562 8.315 -2.124) 18.653 5.343 ( -21.637 0.754 -14.146) 25.862 5.624 ( -22.341 6.117 -8.173) 24.563 6.190 ( 8.689 1.436 3.798) 9.591 6.309 ( -2.288 -1.098 -7.158) 7.595 6.472 ( -2.791 5.492 -3.737) 7.205 6.534 ( -7.418 6.375 -7.183) 12.135 7.088 ( 11.895 -5.194 8.636) 15.590 7.234 ( -2.163 -9.012 -1.368) 9.369 7.240 ( -4.128 -9.691 -2.655) 10.863 7.335 ( -6.223 -4.446 3.649) 8.474 7.616 ( 1.770 -10.193 2.421) 10.625 7.658 ( -2.463 -10.526 1.140) 10.870 8.696 ( 2.317 12.734 3.232) 13.340 8.707 ( 1.133 13.047 2.900) 13.414 9.777 ( 5.499 -2.549 7.311) 9.497 9.837 ( -0.423 -3.411 7.042) 7.836 10.568 ( 7.917 12.465 1.395) 14.832 10.738 ( -9.425 10.851 -0.945) 14.404 12.329 ( 2.870 -11.157 0.355) 11.526 12.372 ( -1.653 -10.139 -1.076) 10.329 12.775 ( 9.146 8.435 -1.997) 12.601 12.994 ( -13.580 7.838 -7.682) 17.460 13.543 ( 7.419 -1.451 -9.447) 12.099 13.676 ( -6.817 0.660 -12.346) 14.119 14.475 ( 5.769 -3.727 6.626) 9.544 14.553 ( -1.349 -5.469 7.108) 9.069 14.761 ( 1.751 2.178 5.432) 6.108 14.805 ( -2.172 0.589 4.024) 4.610 15.091 ( 3.133 6.001 0.549) 6.792 15.168 ( -4.170 4.528 -0.648) 6.190 16.143 ( 7.595 0.436 5.732) 9.525 16.273 ( -1.237 -0.867 5.931) 6.120 16.278 ( 0.308 -2.288 6.194) 6.610 16.337 ( -2.617 -8.693 6.243) 11.018 16.538 ( 1.507 -0.662 -0.015) 1.646 16.590 ( -2.931 -2.414 1.473) 4.072 16.703 ( 1.421 -0.023 5.127) 5.320 16.733 ( -0.966 1.142 5.198) 5.409 17.096 ( 8.755 -4.693 -4.871) 11.063 17.262 ( -7.817 -6.918 -5.519) 11.808 17.628 ( 1.180 4.417 -0.123) 4.574 17.660 ( -2.128 5.530 -0.977) 6.005 18.098 ( 0.048 -1.474 -0.314) 1.508 18.102 ( -0.419 -1.075 -0.434) 1.233 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.000 22.140 12.583) 25.466 2.264 ( 0.000 14.796 23.422) 27.704 2.550 ( 0.000 -4.827 10.176) 11.263 2.977 ( 0.000 2.133 15.936) 16.078 2.994 ( 0.000 7.906 -7.204) 10.696 3.078 ( 0.000 -3.810 10.576) 11.242 3.298 ( 0.000 9.239 -4.680) 10.357 3.464 ( 0.000 -3.699 -0.888) 3.804 3.591 ( 0.000 -9.523 -5.581) 11.038 3.798 ( 0.000 -0.791 -4.612) 4.679 3.859 ( 0.000 4.380 -4.659) 6.394 4.410 ( 0.000 -11.274 -5.362) 12.484 4.679 ( 0.000 -4.479 -0.476) 4.504 4.924 ( 0.000 -5.752 16.708) 17.670 5.269 ( 0.000 21.169 4.851) 21.718 5.491 ( 0.000 4.367 19.404) 19.889 5.536 ( 0.000 16.827 2.762) 17.053 5.720 ( 0.000 8.519 10.598) 13.598 6.502 ( 0.000 -4.309 -10.768) 11.598 6.633 ( 0.000 -0.487 -11.710) 11.721 6.747 ( 0.000 -4.408 -17.767) 18.305 6.827 ( 0.000 -7.228 -9.074) 11.601 6.881 ( 0.000 -14.566 2.400) 14.762 7.204 ( 0.000 2.088 -6.785) 7.099 7.211 ( 0.000 -16.512 -3.555) 16.891 7.380 ( 0.000 -3.411 -10.914) 11.435 7.775 ( 0.000 -3.112 -4.759) 5.686 7.983 ( 0.000 -7.631 -5.342) 9.315 8.693 ( 0.000 14.663 2.011) 14.801 8.789 ( 0.000 6.787 -3.162) 7.487 9.134 ( 0.000 3.618 10.036) 10.668 9.429 ( 0.000 -0.992 0.492) 1.107 10.668 ( 0.000 18.898 5.805) 19.769 11.235 ( 0.000 7.379 -7.928) 10.831 12.043 ( 0.000 -3.737 5.954) 7.029 12.449 ( 0.000 -10.154 -4.494) 11.103 12.730 ( 0.000 3.143 11.333) 11.760 12.871 ( 0.000 -0.204 9.894) 9.896 14.002 ( 0.000 4.915 5.413) 7.312 14.018 ( 0.000 5.745 -11.457) 12.816 14.167 ( 0.000 3.183 -17.648) 17.933 14.332 ( 0.000 -5.826 -0.183) 5.829 14.608 ( 0.000 7.729 6.780) 10.281 14.877 ( 0.000 6.770 -3.784) 7.755 15.204 ( 0.000 0.458 -0.798) 0.920 15.350 ( 0.000 -1.118 -2.876) 3.086 15.759 ( 0.000 -12.188 3.935) 12.808 15.797 ( 0.000 -9.886 2.630) 10.230 16.144 ( 0.000 -3.077 -0.576) 3.131 16.144 ( 0.000 2.480 -5.276) 5.829 16.571 ( 0.000 -2.159 5.742) 6.134 16.640 ( 0.000 -2.755 2.615) 3.799 16.721 ( 0.000 0.673 2.616) 2.701 16.814 ( 0.000 1.926 1.004) 2.172 17.015 ( 0.000 -12.111 1.655) 12.223 17.016 ( 0.000 -3.512 -3.846) 5.208 17.691 ( 0.000 5.923 0.091) 5.924 18.015 ( 0.000 7.504 -11.018) 13.331 18.043 ( 0.000 -3.917 -0.444) 3.942 18.172 ( 0.000 0.987 -4.416) 4.525 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -7.999 12.448 23.147) 27.472 2.091 ( -1.820 22.806 12.521) 26.081 2.529 ( -1.765 -5.548 8.914) 10.647 2.966 ( -2.681 6.046 -1.700) 6.828 3.018 ( -1.056 -6.115 0.990) 6.284 3.236 ( 9.344 -2.221 12.462) 15.734 3.301 ( 0.119 5.902 -3.378) 6.801 3.447 ( 1.688 -0.566 -4.220) 4.580 3.591 ( 0.700 -4.501 -4.368) 6.311 3.791 ( 0.242 -0.980 -2.633) 2.820 3.902 ( 4.073 3.733 -4.536) 7.149 4.394 ( -2.468 -10.425 -5.706) 12.138 4.633 ( -3.237 -0.307 6.341) 7.126 4.781 ( -10.203 -1.601 10.878) 15.000 5.142 ( -9.579 19.283 4.838) 22.068 5.540 ( -1.044 26.398 -1.460) 26.459 5.709 ( 17.443 -3.234 19.608) 26.443 5.810 ( 7.825 5.732 12.260) 15.633 6.463 ( -4.443 -3.641 -14.058) 15.186 6.537 ( -8.659 -1.076 -15.100) 17.440 6.677 ( -7.817 -4.261 -12.478) 15.329 6.790 ( -3.395 -6.611 -7.322) 10.432 6.916 ( 3.123 -14.746 3.484) 15.471 7.155 ( -5.252 2.511 -6.325) 8.596 7.199 ( -0.108 -14.657 -4.691) 15.390 7.375 ( -0.664 -5.022 -8.281) 9.708 7.707 ( -6.789 -4.442 -4.027) 9.058 7.919 ( -6.879 -8.841 -5.985) 12.700 8.718 ( 2.673 13.978 2.702) 14.485 8.792 ( 1.672 11.872 -0.501) 11.999 9.235 ( 8.737 0.709 7.855) 11.770 9.483 ( 5.220 -2.002 0.834) 5.653 10.681 ( 1.381 19.574 5.511) 20.381 11.248 ( 0.872 8.968 -7.832) 11.938 12.029 ( -1.175 -5.859 5.659) 8.230 12.402 ( -4.472 -10.083 -3.669) 11.624 12.720 ( -0.743 3.959 9.234) 10.074 12.932 ( 6.191 -1.565 7.917) 10.171 13.985 ( -0.998 3.065 -8.253) 8.860 14.010 ( -12.238 3.685 -16.328) 20.735 14.110 ( 6.988 5.565 1.527) 9.063 14.358 ( 0.608 -1.555 2.065) 2.655 14.645 ( 3.587 4.385 4.528) 7.252 14.887 ( 0.175 3.947 -3.693) 5.408 15.211 ( 0.648 1.524 -0.391) 1.702 15.323 ( -2.346 0.797 -2.420) 3.463 15.772 ( 1.789 -10.750 5.107) 12.035 15.828 ( 3.473 -10.186 3.373) 11.278 16.150 ( 1.651 0.312 -1.158) 2.041 16.222 ( 5.965 -0.870 -2.003) 6.352 16.535 ( -2.491 -2.041 3.817) 4.994 16.649 ( -0.468 -2.804 3.021) 4.148 16.710 ( -0.359 -0.035 2.409) 2.436 16.811 ( -1.678 -0.256 1.125) 2.037 16.905 ( -3.667 -3.720 -0.156) 5.226 17.129 ( 5.012 -9.176 -2.038) 10.652 17.693 ( 0.189 5.945 0.142) 5.950 17.989 ( -2.632 7.720 -10.250) 13.099 18.042 ( 0.009 -4.439 0.244) 4.446 18.165 ( -0.872 0.650 -4.356) 4.490 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.336 11.001 18.578) 21.593 2.201 ( 8.038 14.587 9.762) 19.305 2.513 ( 1.350 -4.585 4.737) 6.730 2.890 ( -4.484 3.820 2.069) 6.243 3.017 ( 0.497 -7.404 -2.096) 7.711 3.197 ( -7.233 -6.441 -1.462) 9.795 3.241 ( -5.862 1.522 -4.690) 7.660 3.472 ( -4.695 -2.329 -4.793) 7.103 3.680 ( 6.465 2.910 -6.660) 9.727 3.891 ( 8.963 1.239 -0.220) 9.051 3.987 ( 5.023 -0.578 -1.644) 5.317 4.306 ( -5.955 -7.324 -4.367) 10.401 4.568 ( -4.163 3.855 10.576) 12.002 4.666 ( -1.299 -0.538 3.326) 3.611 5.008 ( -1.644 24.003 6.155) 24.834 5.474 ( -5.695 29.334 -2.385) 29.976 5.932 ( 6.767 5.566 8.802) 12.420 6.073 ( 13.794 -6.382 9.548) 17.949 6.261 ( -13.719 -2.611 -13.964) 19.749 6.389 ( -8.831 0.370 -16.264) 18.511 6.493 ( -7.425 -4.301 -3.019) 9.097 6.725 ( -2.527 -4.277 -4.521) 6.717 6.960 ( -3.532 -5.928 -3.523) 7.748 7.037 ( -1.702 -6.275 1.458) 6.663 7.227 ( 2.493 -12.548 -3.935) 13.385 7.337 ( -3.951 -7.880 -4.744) 10.010 7.534 ( -10.620 -6.614 -2.010) 12.671 7.740 ( -10.687 -9.197 -5.358) 15.083 8.795 ( 5.167 14.180 3.424) 15.476 8.861 ( 4.864 15.544 1.357) 16.344 9.415 ( 9.338 -2.616 6.643) 11.754 9.600 ( 6.299 -4.215 2.276) 7.914 10.720 ( 2.619 20.830 4.485) 21.468 11.242 ( -2.082 12.888 -6.768) 14.706 12.013 ( -0.095 -10.871 4.303) 11.692 12.302 ( -5.363 -10.578 -3.148) 12.270 12.721 ( 1.435 5.965 6.075) 8.634 13.089 ( 9.554 -4.600 3.373) 11.127 13.736 ( -15.063 6.609 -15.783) 22.796 13.955 ( -3.744 1.383 -13.538) 14.114 14.234 ( 5.102 2.651 6.522) 8.695 14.395 ( 4.468 1.664 5.170) 7.033 14.712 ( 2.602 0.452 2.542) 3.666 14.865 ( -2.251 -0.646 -2.984) 3.793 15.209 ( -0.870 5.015 1.510) 5.309 15.304 ( 0.816 4.714 -0.007) 4.784 15.829 ( 4.172 -9.112 5.117) 11.253 15.932 ( 6.982 -10.797 5.129) 13.843 16.182 ( 1.207 -0.313 3.273) 3.502 16.341 ( 5.468 0.892 0.432) 5.557 16.504 ( -0.494 -4.095 2.727) 4.945 16.610 ( -2.893 -1.211 2.361) 3.925 16.721 ( 1.320 -1.380 0.423) 1.956 16.738 ( -4.219 -2.760 1.406) 5.234 16.889 ( 0.441 0.627 0.634) 0.995 17.197 ( 1.882 -9.617 -2.752) 10.178 17.698 ( 0.366 5.997 0.149) 6.010 17.923 ( -4.054 7.147 -7.264) 10.967 18.043 ( 0.065 -4.290 0.096) 4.291 18.138 ( -1.832 -0.309 -3.512) 3.973 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 15.743 6.128 7.261) 18.387 2.348 ( 7.184 2.576 6.702) 10.157 2.615 ( 8.986 0.620 1.524) 9.135 2.803 ( -4.797 1.889 1.445) 5.354 2.982 ( -7.472 -9.696 -3.590) 12.757 3.055 ( -4.555 -3.930 -5.003) 7.825 3.126 ( -5.403 1.883 -5.717) 8.088 3.336 ( -8.272 -4.388 -5.787) 11.008 3.782 ( 4.354 6.574 -1.718) 8.070 3.966 ( -0.005 1.922 -2.213) 2.931 4.117 ( 5.043 -5.041 -0.676) 7.162 4.196 ( -5.143 -3.693 -2.551) 6.826 4.547 ( 3.925 4.338 -1.235) 5.979 4.664 ( 2.929 -0.318 -2.795) 4.061 5.113 ( 7.626 25.595 6.828) 27.566 5.347 ( -4.875 25.788 -2.054) 26.325 5.799 ( -24.408 -1.908 -20.018) 31.625 6.029 ( -1.846 6.533 -2.850) 7.363 6.187 ( -5.045 7.066 0.996) 8.739 6.332 ( 2.414 1.125 -3.402) 4.321 6.494 ( 5.674 -8.236 3.606) 10.632 6.717 ( -0.159 -1.866 2.420) 3.060 6.832 ( -1.516 2.326 -6.684) 7.238 7.062 ( -0.744 -15.679 2.535) 15.900 7.205 ( -9.479 -7.785 -4.145) 12.948 7.264 ( -0.388 -7.377 -0.718) 7.422 7.365 ( -4.047 -15.607 2.341) 16.292 7.547 ( -9.206 -9.840 -2.510) 13.707 8.898 ( 5.097 15.103 3.583) 16.338 8.950 ( 3.915 16.458 2.292) 17.071 9.577 ( 7.386 -5.131 6.470) 11.079 9.701 ( 3.829 -6.409 4.318) 8.624 10.785 ( 4.305 21.435 2.680) 22.027 11.161 ( -6.160 16.523 -4.521) 18.204 12.028 ( 1.594 -14.965 1.854) 15.164 12.209 ( -4.341 -12.658 -3.119) 13.740 12.791 ( 6.054 8.257 2.863) 10.632 13.271 ( 8.166 -5.085 -2.065) 9.839 13.457 ( -12.901 7.782 -11.119) 18.725 13.836 ( -8.239 -0.327 -13.631) 15.931 14.332 ( 5.707 1.378 6.280) 8.596 14.485 ( 3.337 0.720 5.197) 6.218 14.737 ( 0.409 -2.018 1.287) 2.428 14.820 ( -2.161 -2.423 -0.114) 3.248 15.209 ( 1.275 9.387 4.123) 10.331 15.320 ( 0.175 7.321 1.326) 7.443 15.929 ( 6.086 -9.122 5.556) 12.293 16.065 ( 5.824 -12.541 6.086) 15.107 16.194 ( 0.645 -0.343 6.040) 6.084 16.392 ( -0.709 3.301 2.743) 4.350 16.498 ( -0.935 -6.549 4.828) 8.190 16.568 ( -0.996 -0.784 1.430) 1.911 16.687 ( -0.560 -0.589 2.351) 2.487 16.765 ( 2.695 1.020 -0.831) 2.999 16.905 ( 1.904 -1.804 -0.641) 2.701 17.196 ( -2.104 -9.204 -3.274) 9.993 17.709 ( 0.773 6.082 -0.086) 6.132 17.844 ( -4.034 6.798 -4.189) 8.947 18.044 ( 0.143 -4.039 -0.215) 4.048 18.100 ( -1.968 -1.562 -2.186) 3.331 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 17.979 1.147 0.743) 18.031 2.487 ( 6.694 -1.080 2.907) 7.377 2.678 ( -5.958 -2.658 0.868) 6.582 2.753 ( -11.500 -3.419 -3.812) 12.588 2.836 ( 7.607 1.308 -4.998) 9.196 2.970 ( -5.136 1.614 -4.248) 6.858 3.084 ( 1.192 -4.925 -5.139) 7.217 3.177 ( -7.821 -5.446 -4.961) 10.745 3.863 ( 4.271 5.857 2.867) 7.796 3.934 ( -2.902 3.433 1.276) 4.673 4.117 ( -1.899 -0.974 -0.272) 2.152 4.126 ( -2.484 -2.084 0.231) 3.250 4.752 ( 14.420 5.171 -10.372) 18.500 4.843 ( 16.903 0.382 -11.744) 20.586 5.019 ( -12.752 14.182 -10.141) 21.600 5.264 ( -22.658 0.648 -16.623) 28.109 5.538 ( 11.666 21.467 6.496) 25.281 5.812 ( -14.585 15.250 -0.270) 21.103 6.262 ( 5.627 6.388 2.519) 8.878 6.330 ( -1.603 3.295 -5.995) 7.026 6.568 ( 3.135 3.012 -1.007) 4.463 6.642 ( -4.284 4.390 -3.699) 7.163 6.971 ( 2.666 -7.414 0.573) 7.900 7.014 ( -4.018 -11.147 0.316) 11.853 7.039 ( 3.840 -12.323 0.093) 12.908 7.214 ( -6.043 -8.185 5.487) 11.559 7.361 ( 1.127 -17.029 2.080) 17.193 7.403 ( -4.702 -14.363 0.706) 15.129 8.976 ( 2.781 16.030 3.409) 16.623 8.996 ( 0.712 16.581 2.956) 16.858 9.690 ( 4.324 -6.908 6.378) 10.349 9.736 ( -0.326 -7.462 5.799) 9.456 10.888 ( 6.456 20.750 0.383) 21.735 11.025 ( -7.600 18.994 -2.043) 20.560 12.071 ( 2.819 -16.231 -0.631) 16.486 12.134 ( -3.636 -15.167 -2.365) 15.775 12.948 ( 10.140 9.930 -1.211) 14.244 13.167 ( -12.428 10.207 -6.309) 17.275 13.482 ( 9.176 -5.408 -5.927) 12.189 13.662 ( -9.496 -2.954 -10.404) 14.393 14.440 ( 4.905 0.826 4.632) 6.797 14.502 ( -1.389 0.554 4.300) 4.552 14.748 ( 1.099 -3.311 1.676) 3.870 14.780 ( -2.051 -3.180 1.747) 4.168 15.252 ( 2.848 10.856 4.277) 12.010 15.302 ( -2.026 9.686 2.870) 10.304 16.045 ( 5.374 -11.924 6.154) 14.454 16.111 ( -1.101 -14.809 6.308) 16.134 16.239 ( 4.057 2.468 6.240) 7.842 16.330 ( -4.865 3.607 5.288) 8.040 16.493 ( 1.362 -4.179 3.706) 5.749 16.539 ( -2.509 -2.760 3.113) 4.858 16.720 ( 3.252 2.079 2.287) 4.486 16.775 ( -1.788 3.293 1.729) 4.127 16.992 ( 6.643 -5.986 -3.274) 9.523 17.118 ( -5.794 -7.914 -3.533) 10.425 17.731 ( 1.687 6.250 -0.663) 6.507 17.776 ( -2.973 6.522 -1.893) 7.413 18.050 ( 0.559 -3.577 -0.594) 3.669 18.068 ( -1.315 -2.744 -1.170) 3.260 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 0.000 10.821 15.595) 18.982 2.441 ( 0.000 -5.826 15.123) 16.206 2.572 ( 0.000 16.173 19.384) 25.245 2.854 ( 0.000 -12.607 14.063) 18.887 3.098 ( 0.000 2.987 -6.364) 7.031 3.107 ( 0.000 2.381 2.032) 3.130 3.398 ( 0.000 0.361 -2.035) 2.067 3.431 ( 0.000 -5.130 -4.333) 6.715 3.517 ( 0.000 10.032 -4.595) 11.035 3.705 ( 0.000 -8.494 -2.329) 8.808 4.006 ( 0.000 9.535 -8.911) 13.051 4.199 ( 0.000 -11.003 -7.669) 13.411 4.663 ( 0.000 3.722 11.026) 11.638 4.787 ( 0.000 -8.117 15.909) 17.860 5.536 ( 0.000 4.556 17.531) 18.113 5.597 ( 0.000 -2.116 16.998) 17.130 5.750 ( 0.000 23.880 5.321) 24.466 6.059 ( 0.000 5.582 -0.699) 5.626 6.392 ( 0.000 4.315 0.922) 4.413 6.645 ( 0.000 1.612 -19.172) 19.240 6.676 ( 0.000 -2.651 -16.282) 16.497 6.693 ( 0.000 -3.545 -4.087) 5.410 6.711 ( 0.000 -6.094 -10.629) 12.252 6.811 ( 0.000 -24.115 -2.273) 24.222 7.252 ( 0.000 3.049 -8.769) 9.284 7.314 ( 0.000 -3.508 -10.157) 10.746 7.776 ( 0.000 2.594 -6.779) 7.258 7.856 ( 0.000 -5.740 -6.927) 8.996 8.884 ( 0.000 4.837 3.251) 5.828 8.888 ( 0.000 3.322 1.705) 3.734 9.226 ( 0.000 6.721 6.010) 9.016 9.359 ( 0.000 -6.214 2.441) 6.676 11.023 ( 0.000 17.552 1.956) 17.661 11.263 ( 0.000 -6.318 -3.484) 7.215 12.056 ( 0.000 6.330 1.165) 6.437 12.240 ( 0.000 -11.573 -3.208) 12.010 12.792 ( 0.000 3.357 11.182) 11.675 12.848 ( 0.000 -2.299 10.815) 11.057 14.091 ( 0.000 4.463 4.201) 6.130 14.118 ( 0.000 3.461 -8.295) 8.988 14.210 ( 0.000 0.637 -15.829) 15.842 14.233 ( 0.000 -4.054 -2.443) 4.733 14.784 ( 0.000 10.315 -0.347) 10.321 14.927 ( 0.000 -3.025 -7.165) 7.777 15.282 ( 0.000 8.822 4.339) 9.831 15.373 ( 0.000 4.196 1.423) 4.431 15.511 ( 0.000 -13.330 4.093) 13.945 15.550 ( 0.000 -13.328 4.024) 13.922 16.156 ( 0.000 2.287 -4.212) 4.792 16.177 ( 0.000 0.518 -5.983) 6.006 16.544 ( 0.000 -0.133 5.565) 5.567 16.578 ( 0.000 -3.365 4.485) 5.607 16.743 ( 0.000 1.891 2.523) 3.153 16.802 ( 0.000 -4.113 2.083) 4.610 16.899 ( 0.000 0.904 0.506) 1.036 16.949 ( 0.000 -3.423 -1.638) 3.795 17.813 ( 0.000 6.881 0.220) 6.885 17.939 ( 0.000 -6.289 0.305) 6.296 18.129 ( 0.000 4.060 -10.546) 11.300 18.174 ( 0.000 -0.972 -7.675) 7.737 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -8.807 10.538 20.159) 24.393 2.363 ( -6.391 -3.662 14.198) 15.995 2.522 ( -0.268 14.528 11.146) 18.313 2.818 ( -2.010 -14.237 8.717) 16.814 3.065 ( -3.367 4.094 -3.140) 6.161 3.149 ( -1.354 -5.283 1.419) 5.635 3.404 ( -2.375 4.758 -2.135) 5.730 3.452 ( 3.207 -0.287 -5.343) 6.239 3.594 ( 7.345 4.474 -5.945) 10.455 3.714 ( 2.873 -6.706 -2.119) 7.597 4.025 ( 1.602 8.504 -8.465) 12.105 4.200 ( -0.314 -10.015 -7.575) 12.561 4.658 ( -0.405 3.253 12.050) 12.488 4.731 ( -5.114 -3.685 13.854) 15.221 5.473 ( -4.891 13.332 11.754) 18.435 5.632 ( 8.864 -5.268 18.097) 20.828 5.910 ( 10.313 15.411 7.572) 20.030 6.103 ( 2.570 13.795 -0.735) 14.052 6.336 ( -5.209 -2.399 -2.111) 6.111 6.520 ( -11.495 -2.618 -18.238) 21.717 6.623 ( -4.347 -0.162 -15.913) 16.497 6.690 ( -2.058 -3.503 -5.477) 6.819 6.703 ( 0.114 -5.779 -1.627) 6.005 6.823 ( 1.168 -22.328 -5.238) 22.964 7.215 ( -4.045 3.683 -7.805) 9.531 7.290 ( -2.693 -4.254 -8.708) 10.059 7.694 ( -7.815 2.372 -5.738) 9.981 7.777 ( -7.770 -6.232 -6.346) 11.810 8.913 ( 4.080 7.028 3.157) 8.718 8.959 ( 5.658 3.545 1.435) 6.830 9.274 ( 4.592 4.843 6.138) 9.067 9.399 ( 3.821 -6.669 2.802) 8.181 11.051 ( 2.806 18.438 1.731) 18.731 11.301 ( 3.671 -5.963 -3.836) 7.984 12.007 ( -4.875 5.468 1.172) 7.419 12.191 ( -4.841 -11.898 -3.200) 13.238 12.801 ( 1.083 4.567 9.741) 10.813 12.882 ( 3.518 -3.757 9.383) 10.702 14.035 ( -3.945 2.103 -6.940) 8.255 14.053 ( -8.359 0.548 -10.904) 13.750 14.225 ( 5.174 6.089 -2.365) 8.333 14.316 ( 4.190 -3.361 -1.680) 5.628 14.767 ( -1.347 7.836 -0.916) 8.004 14.889 ( -3.535 -3.929 -6.282) 8.209 15.312 ( 2.616 9.531 4.631) 10.914 15.386 ( 1.645 6.646 1.729) 7.062 15.539 ( 2.874 -13.301 5.602) 14.716 15.581 ( 3.386 -13.642 4.460) 14.747 16.186 ( 2.730 3.197 -2.336) 4.809 16.229 ( 4.924 -0.547 -4.824) 6.915 16.516 ( -2.413 0.756 4.498) 5.160 16.573 ( -0.826 -4.635 3.528) 5.883 16.720 ( -1.745 1.149 2.369) 3.159 16.758 ( -3.430 -3.136 1.913) 5.026 16.914 ( 1.495 3.166 0.249) 3.510 16.995 ( 3.191 -5.519 -1.014) 6.455 17.815 ( 0.194 6.867 0.216) 6.873 17.940 ( 0.136 -6.254 0.256) 6.261 18.103 ( -2.581 4.442 -9.318) 10.640 18.158 ( -1.727 -1.537 -7.148) 7.513 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -2.055 11.930 15.083) 19.341 2.269 ( -2.256 -7.396 10.548) 13.079 2.573 ( 4.757 11.367 6.846) 14.096 2.809 ( 0.598 -12.809 4.578) 13.616 2.970 ( -5.937 4.147 -1.544) 7.405 3.062 ( -6.148 -6.050 -1.764) 8.804 3.317 ( -6.196 5.224 -4.032) 9.052 3.413 ( -6.755 -4.456 -5.834) 9.976 3.759 ( 8.864 4.963 -6.517) 12.070 3.853 ( 9.392 -4.622 -3.884) 11.165 4.049 ( 0.472 6.264 -6.699) 9.183 4.176 ( -2.142 -6.853 -5.921) 9.307 4.622 ( -3.624 1.990 9.517) 10.376 4.649 ( -2.220 -1.067 7.251) 7.658 5.480 ( 5.849 24.561 11.268) 27.648 5.858 ( 11.199 -13.518 13.473) 22.129 6.018 ( -9.072 21.124 -6.844) 23.987 6.093 ( 7.428 11.107 5.228) 14.348 6.199 ( -14.319 -4.655 -13.345) 20.119 6.340 ( -0.166 -7.781 -5.952) 9.798 6.498 ( -7.870 7.377 -7.610) 13.201 6.657 ( -1.115 -2.300 -1.250) 2.846 6.722 ( 1.759 -10.304 -0.533) 10.467 6.859 ( 2.188 -20.738 -4.874) 21.415 7.099 ( -7.328 4.437 -5.617) 10.244 7.205 ( -6.241 -6.439 -5.873) 10.719 7.507 ( -11.229 2.399 -3.658) 12.051 7.593 ( -10.658 -6.427 -4.618) 13.275 9.023 ( 6.897 9.559 3.361) 12.257 9.086 ( 7.285 5.593 1.503) 9.307 9.376 ( 5.386 0.874 6.258) 8.303 9.484 ( 4.409 -7.779 3.604) 9.641 11.119 ( 4.056 20.302 1.247) 20.741 11.383 ( 4.288 -3.498 -4.498) 7.131 11.887 ( -7.134 2.271 1.147) 7.574 12.074 ( -6.990 -13.202 -3.432) 15.328 12.845 ( 3.872 7.178 6.705) 10.557 12.980 ( 6.674 -6.876 5.948) 11.278 13.856 ( -11.585 5.769 -13.379) 18.615 13.940 ( -6.906 -2.941 -11.951) 14.113 14.323 ( 4.579 5.706 2.566) 7.753 14.401 ( 5.082 -1.815 3.034) 6.191 14.741 ( -1.554 2.972 -1.638) 3.732 14.814 ( -3.746 -4.117 -3.945) 6.822 15.362 ( 2.692 11.182 5.463) 12.733 15.440 ( 3.457 9.503 3.225) 10.614 15.612 ( 4.638 -12.972 6.299) 15.148 15.677 ( 6.138 -14.235 5.333) 16.394 16.234 ( 1.631 4.942 2.839) 5.929 16.331 ( 4.548 -4.103 0.110) 6.126 16.474 ( -1.323 2.574 1.839) 3.429 16.554 ( -0.772 -4.556 0.388) 4.637 16.696 ( -0.873 -0.342 1.488) 1.759 16.705 ( -1.174 -1.071 2.407) 2.884 16.937 ( 0.570 4.214 0.169) 4.255 17.042 ( 1.334 -6.951 -1.173) 7.174 17.821 ( 0.352 6.808 0.111) 6.818 17.943 ( 0.186 -6.092 0.058) 6.095 18.039 ( -3.880 5.055 -6.732) 9.270 18.111 ( -3.003 -2.647 -5.456) 6.767 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 10.176 8.108 5.639) 14.181 2.303 ( 5.739 -6.294 4.018) 9.417 2.669 ( 3.840 5.058 5.322) 8.286 2.799 ( -3.376 -8.725 1.624) 9.495 2.867 ( -3.624 4.513 -2.181) 6.185 2.962 ( -2.811 -5.334 -4.001) 7.236 3.177 ( -8.132 3.435 -5.653) 10.482 3.252 ( -9.207 -4.456 -6.189) 11.955 3.903 ( 5.674 6.049 -2.640) 8.704 4.008 ( 5.684 -4.294 -2.534) 7.561 4.042 ( -0.746 3.566 -3.826) 5.282 4.127 ( -2.695 -4.137 -3.227) 5.899 4.611 ( 4.059 2.553 -0.613) 4.834 4.647 ( 3.969 -1.414 -1.657) 4.527 5.552 ( -9.251 17.035 -6.819) 20.549 5.704 ( -19.123 1.330 -15.230) 24.483 5.846 ( -1.683 17.347 -0.346) 17.431 6.219 ( 9.261 -8.927 7.690) 14.987 6.262 ( 11.297 6.854 8.652) 15.794 6.361 ( -2.094 6.534 0.759) 6.903 6.378 ( 0.413 5.376 -5.485) 7.691 6.646 ( -0.461 -7.529 1.909) 7.781 6.749 ( 0.365 -10.545 -1.523) 10.661 6.856 ( -3.465 -8.205 -4.806) 10.120 7.006 ( -0.550 -6.632 -1.237) 6.769 7.072 ( -6.705 -7.177 -4.094) 10.641 7.281 ( -11.790 3.189 -0.398) 12.220 7.386 ( -10.947 -7.350 -1.721) 13.298 9.158 ( 6.746 11.835 3.803) 14.144 9.219 ( 6.069 9.589 2.345) 11.588 9.464 ( 3.713 -4.616 6.053) 8.470 9.549 ( 2.101 -9.401 4.284) 10.542 11.203 ( 4.754 21.844 0.542) 22.362 11.443 ( 1.268 6.482 -4.866) 8.204 11.761 ( -5.129 -7.356 1.079) 9.032 11.937 ( -7.102 -15.839 -3.555) 17.718 12.958 ( 7.935 9.445 3.058) 12.710 13.133 ( 9.284 -8.910 1.792) 12.992 13.620 ( -12.792 8.958 -10.804) 18.990 13.770 ( -10.537 -6.424 -11.530) 16.890 14.413 ( 5.048 6.142 3.517) 8.694 14.498 ( 4.601 -1.290 3.682) 6.033 14.701 ( -2.561 -0.091 -1.739) 3.097 14.753 ( -2.891 -4.254 -1.169) 5.274 15.422 ( 3.474 12.956 6.146) 14.754 15.499 ( 2.450 10.941 3.997) 11.903 15.706 ( 4.651 -12.917 6.676) 15.266 15.783 ( 4.045 -15.326 5.910) 16.916 16.254 ( 1.396 5.176 5.769) 7.876 16.368 ( 0.475 -6.809 5.444) 8.731 16.467 ( -1.100 4.199 1.895) 4.736 16.536 ( -1.749 -2.842 1.671) 3.732 16.699 ( 2.469 1.828 0.781) 3.170 16.745 ( 4.732 -2.612 -1.026) 5.502 16.929 ( -1.452 4.164 -0.048) 4.410 17.039 ( -1.655 -7.314 -1.520) 7.651 17.830 ( 0.738 6.677 -0.230) 6.722 17.946 ( -0.343 -3.583 -0.953) 3.724 17.965 ( -3.086 3.344 -3.419) 5.692 18.051 ( -3.134 -3.746 -3.396) 5.948 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 13.795 2.742 -0.098) 14.065 2.459 ( 9.376 -2.288 0.141) 9.652 2.633 ( -7.139 -1.009 0.978) 7.276 2.662 ( -9.988 -4.013 -1.662) 10.892 2.896 ( 5.698 3.874 -2.933) 7.489 2.971 ( 2.672 -3.481 -3.723) 5.755 3.027 ( -6.730 1.269 -4.920) 8.432 3.084 ( -7.811 -4.205 -5.150) 10.257 3.975 ( 2.413 5.661 1.538) 6.343 4.013 ( -1.630 4.419 0.091) 4.711 4.066 ( 0.652 -4.058 0.646) 4.160 4.083 ( -1.645 -2.874 -0.465) 3.344 4.818 ( 17.057 2.313 -11.474) 20.687 4.845 ( 16.640 -0.537 -11.812) 20.414 5.198 ( -21.352 5.288 -16.087) 27.252 5.254 ( -24.376 -1.430 -17.327) 29.941 6.016 ( 11.158 26.550 7.453) 29.748 6.197 ( -7.373 23.338 3.782) 24.766 6.369 ( 3.859 -2.988 0.133) 4.883 6.417 ( 0.585 5.386 -0.665) 5.459 6.527 ( 10.007 -2.775 3.374) 10.919 6.675 ( 5.320 -10.067 1.030) 11.433 6.685 ( -5.900 -9.607 -0.377) 11.281 6.809 ( -3.372 -12.069 -2.018) 12.693 6.983 ( -0.798 1.913 0.032) 2.073 7.022 ( -0.168 -8.768 2.083) 9.014 7.108 ( -3.789 -4.633 0.742) 6.031 7.183 ( -9.351 -9.126 0.685) 13.084 9.265 ( 4.027 14.287 4.063) 15.390 9.294 ( 1.290 14.467 3.499) 14.940 9.522 ( 2.544 -10.640 5.314) 12.162 9.559 ( -0.980 -11.279 4.685) 12.252 11.303 ( 5.692 22.588 -0.741) 23.306 11.408 ( -4.592 20.541 -3.005) 21.262 11.729 ( 1.988 -19.624 -0.848) 19.743 11.811 ( -5.835 -19.056 -2.852) 20.132 13.142 ( 11.077 10.610 -1.192) 15.385 13.322 ( 7.615 -4.838 -3.267) 9.595 13.382 ( -9.163 6.021 -5.424) 12.232 13.553 ( -11.702 -8.347 -7.449) 16.189 14.510 ( 4.683 5.878 2.129) 7.812 14.559 ( 0.787 3.929 2.049) 4.500 14.660 ( -0.636 -4.873 0.064) 4.915 14.695 ( -3.102 -5.451 0.446) 6.288 15.487 ( 3.036 14.062 5.930) 15.561 15.522 ( -0.305 13.560 4.991) 14.452 15.776 ( 2.798 -15.420 6.436) 16.942 15.813 ( -0.680 -16.193 6.067) 17.305 16.310 ( 4.423 4.633 5.944) 8.738 16.400 ( 0.317 -1.232 4.878) 5.041 16.407 ( -1.748 0.266 5.525) 5.801 16.479 ( -3.958 -3.686 4.277) 6.895 16.780 ( 5.002 4.129 -0.165) 6.488 16.843 ( 2.158 1.662 -0.889) 2.865 16.895 ( 0.434 -2.005 -1.083) 2.320 16.978 ( -4.583 -6.798 -1.764) 8.386 17.852 ( 1.640 6.454 -0.897) 6.720 17.895 ( -2.860 6.078 -2.078) 7.032 17.965 ( 1.138 -5.418 -0.857) 5.602 17.998 ( -2.276 -4.716 -1.802) 5.538 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 0.000 21.553) 21.553 2.427 ( 0.000 0.000 -21.679) 21.679 2.444 ( 0.000 0.000 22.776) 22.776 2.722 ( 0.000 0.000 6.116) 6.116 2.996 ( 0.000 0.000 -8.669) 8.669 3.149 ( 0.000 0.000 10.661) 10.661 3.267 ( 0.000 0.000 -11.279) 11.279 3.566 ( 0.000 0.000 -9.556) 9.556 3.664 ( 0.000 0.000 7.753) 7.753 3.716 ( 0.000 0.000 3.782) 3.782 4.089 ( 0.000 0.000 16.969) 16.969 4.597 ( 0.000 0.000 2.604) 2.604 4.618 ( 0.000 0.000 -10.596) 10.596 4.803 ( 0.000 0.000 -4.507) 4.507 5.130 ( 0.000 0.000 9.520) 9.520 5.448 ( 0.000 0.000 23.179) 23.179 5.818 ( 0.000 0.000 20.076) 20.076 5.979 ( 0.000 0.000 -5.399) 5.399 6.119 ( 0.000 0.000 -4.485) 4.485 6.462 ( 0.000 0.000 -20.861) 20.861 6.528 ( 0.000 0.000 -8.983) 8.983 6.747 ( 0.000 0.000 -16.248) 16.248 7.092 ( 0.000 0.000 -1.133) 1.133 7.242 ( 0.000 0.000 -10.076) 10.076 7.344 ( 0.000 0.000 5.982) 5.982 7.493 ( 0.000 0.000 -1.918) 1.918 8.069 ( 0.000 0.000 0.388) 0.388 8.184 ( 0.000 0.000 4.649) 4.649 8.261 ( 0.000 0.000 0.913) 0.913 8.304 ( 0.000 0.000 -11.839) 11.839 9.183 ( 0.000 0.000 5.923) 5.923 9.335 ( 0.000 0.000 -2.653) 2.653 10.479 ( 0.000 0.000 11.614) 11.614 10.871 ( 0.000 0.000 -8.727) 8.727 12.296 ( 0.000 0.000 6.917) 6.917 12.551 ( 0.000 0.000 -6.313) 6.313 12.941 ( 0.000 0.000 17.451) 17.451 13.057 ( 0.000 0.000 12.747) 12.747 13.629 ( 0.000 0.000 -15.533) 15.533 13.716 ( 0.000 0.000 -19.900) 19.900 14.029 ( 0.000 0.000 6.008) 6.008 14.349 ( 0.000 0.000 -9.280) 9.280 14.677 ( 0.000 0.000 11.319) 11.319 14.794 ( 0.000 0.000 8.191) 8.191 15.127 ( 0.000 0.000 -5.534) 5.534 15.258 ( 0.000 0.000 -9.134) 9.134 15.903 ( 0.000 0.000 1.635) 1.635 15.985 ( 0.000 0.000 -3.154) 3.154 16.122 ( 0.000 0.000 5.159) 5.159 16.302 ( 0.000 0.000 -4.181) 4.181 16.751 ( 0.000 0.000 3.510) 3.510 16.757 ( 0.000 0.000 1.882) 1.882 16.778 ( 0.000 0.000 0.833) 0.833 16.834 ( 0.000 0.000 11.824) 11.824 16.967 ( 0.000 0.000 -5.965) 5.965 17.334 ( 0.000 0.000 -12.274) 12.274 17.566 ( 0.000 0.000 -0.068) 0.068 17.571 ( 0.000 0.000 -0.415) 0.415 18.127 ( 0.000 0.000 -0.082) 0.082 18.129 ( 0.000 0.000 0.063) 0.063 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 12.164 0.000 20.199) 23.579 2.265 ( -13.909 0.000 24.304) 28.003 2.498 ( 7.003 0.000 -20.196) 21.376 2.660 ( -4.303 0.000 1.238) 4.478 3.067 ( 2.567 0.000 -5.265) 5.857 3.130 ( -1.915 0.000 10.368) 10.543 3.278 ( -1.074 0.000 -15.084) 15.123 3.538 ( -2.835 0.000 -9.444) 9.860 3.652 ( 0.490 0.000 8.274) 8.289 3.774 ( 4.868 0.000 0.754) 4.926 4.173 ( 9.003 0.000 18.138) 20.249 4.543 ( -5.353 0.000 2.275) 5.817 4.617 ( -0.287 0.000 -8.319) 8.324 4.744 ( -6.324 0.000 -5.287) 8.242 5.034 ( -8.482 0.000 12.866) 15.410 5.107 ( -22.471 0.000 24.695) 33.389 5.947 ( -3.615 0.000 -13.346) 13.827 6.036 ( -0.627 0.000 -7.564) 7.590 6.133 ( 0.950 0.000 0.913) 1.318 6.314 ( 5.423 0.000 1.699) 5.683 6.658 ( 1.740 0.000 -4.374) 4.707 6.696 ( -4.876 0.000 -15.117) 15.883 7.009 ( -8.231 0.000 -1.452) 8.358 7.220 ( 0.442 0.000 -11.304) 11.313 7.379 ( 3.481 0.000 5.684) 6.666 7.510 ( 1.372 0.000 -1.350) 1.924 7.984 ( -8.009 0.000 0.016) 8.009 8.175 ( -11.845 0.000 -9.707) 15.314 8.264 ( 7.311 0.000 3.659) 8.176 8.315 ( 5.162 0.000 1.256) 5.313 9.305 ( 11.052 0.000 4.546) 11.950 9.421 ( 8.416 0.000 -2.041) 8.660 10.479 ( -0.009 0.000 11.580) 11.580 10.869 ( -0.462 0.000 -8.413) 8.426 12.310 ( 1.500 0.000 6.448) 6.621 12.545 ( -0.772 0.000 -5.574) 5.627 12.843 ( -8.458 0.000 14.944) 17.172 13.094 ( 3.849 0.000 10.671) 11.344 13.545 ( -14.832 0.000 -19.962) 24.869 13.628 ( -0.336 0.000 -15.497) 15.500 14.163 ( 12.878 0.000 8.712) 15.548 14.503 ( 11.990 0.000 -8.173) 14.510 14.609 ( -4.711 0.000 11.508) 12.435 14.836 ( 2.040 0.000 5.664) 6.020 15.113 ( -1.661 0.000 -5.930) 6.158 15.223 ( -2.795 0.000 -6.354) 6.942 15.919 ( 1.820 0.000 1.993) 2.699 16.016 ( 3.239 0.000 -3.410) 4.703 16.169 ( 4.714 0.000 6.172) 7.766 16.367 ( 6.359 0.000 -3.968) 7.496 16.697 ( -3.566 0.000 5.881) 6.877 16.731 ( -2.382 0.000 2.224) 3.258 16.770 ( -1.091 0.000 0.324) 1.138 16.868 ( 0.355 0.000 4.939) 4.952 16.942 ( -0.807 0.000 -0.901) 1.209 17.355 ( 1.560 0.000 -12.549) 12.646 17.567 ( 0.159 0.000 0.192) 0.250 17.581 ( 0.785 0.000 -0.493) 0.927 18.124 ( -0.324 0.000 0.000) 0.324 18.128 ( -0.149 0.000 -0.015) 0.149 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 18.941 0.000 17.084) 25.507 2.066 ( -4.699 0.000 21.598) 22.103 2.578 ( -3.738 0.000 -3.352) 5.020 2.672 ( 10.518 0.000 -16.096) 19.227 3.068 ( -2.336 0.000 -3.563) 4.260 3.078 ( -3.456 0.000 9.391) 10.006 3.159 ( -10.409 0.000 -12.122) 15.977 3.458 ( -5.493 0.000 -9.097) 10.627 3.676 ( 1.809 0.000 5.357) 5.654 3.893 ( 6.438 0.000 -3.196) 7.188 4.407 ( 13.735 0.000 11.950) 18.205 4.407 ( -8.586 0.000 1.041) 8.649 4.557 ( -12.672 0.000 -4.562) 13.469 4.600 ( -1.168 0.000 -2.063) 2.370 4.754 ( -12.843 0.000 21.393) 24.952 4.878 ( -6.385 0.000 15.994) 17.221 5.774 ( -18.262 0.000 -28.282) 33.666 5.837 ( -8.052 0.000 -21.559) 23.013 6.142 ( 0.320 0.000 7.096) 7.103 6.463 ( -5.669 0.000 6.503) 8.627 6.583 ( -6.333 0.000 -12.012) 13.579 6.659 ( 0.598 0.000 -1.925) 2.016 6.856 ( 0.296 0.000 8.004) 8.009 7.301 ( 6.366 0.000 -9.304) 11.274 7.451 ( 2.161 0.000 3.966) 4.517 7.519 ( -1.005 0.000 0.310) 1.052 7.820 ( -7.137 0.000 -0.742) 7.175 7.918 ( -13.231 0.000 -6.622) 14.795 8.418 ( 7.949 0.000 2.492) 8.331 8.433 ( 6.624 0.000 1.740) 6.849 9.540 ( 12.471 0.000 4.139) 13.140 9.629 ( 12.505 0.000 -0.898) 12.537 10.474 ( -0.619 0.000 10.866) 10.884 10.839 ( -3.084 0.000 -7.289) 7.915 12.356 ( 3.274 0.000 5.018) 5.992 12.523 ( -1.221 0.000 -3.158) 3.386 12.686 ( -6.787 0.000 10.593) 12.581 13.197 ( 6.361 0.000 5.023) 8.105 13.242 ( -15.664 0.000 -17.377) 23.395 13.606 ( -2.256 0.000 -14.440) 14.615 14.440 ( 14.486 0.000 9.256) 17.190 14.545 ( -1.320 0.000 11.022) 11.101 14.711 ( 8.806 0.000 -4.374) 9.832 14.845 ( -0.693 0.000 0.776) 1.041 15.060 ( -3.633 0.000 -2.895) 4.645 15.179 ( -1.787 0.000 -3.989) 4.371 15.978 ( 4.521 0.000 3.073) 5.467 16.108 ( 6.335 0.000 -3.647) 7.310 16.282 ( 6.269 0.000 7.782) 9.993 16.514 ( 7.599 0.000 -2.622) 8.039 16.654 ( 0.096 0.000 5.381) 5.382 16.672 ( -3.714 0.000 2.705) 4.595 16.734 ( -2.589 0.000 -0.395) 2.619 16.815 ( -3.804 0.000 -1.593) 4.124 16.965 ( 1.635 0.000 6.217) 6.428 17.366 ( -0.875 0.000 -12.073) 12.105 17.572 ( 0.319 0.000 0.575) 0.657 17.596 ( 0.734 0.000 -0.530) 0.905 18.116 ( -0.422 0.000 0.094) 0.432 18.124 ( -0.291 0.000 -0.120) 0.314 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 9.125 0.000 11.589) 14.750 2.392 ( 19.586 0.000 13.228) 23.635 2.541 ( 0.294 0.000 -5.888) 5.896 2.872 ( 9.815 0.000 -10.293) 14.222 2.927 ( -13.075 0.000 -8.364) 15.521 2.965 ( -8.480 0.000 -4.149) 9.440 3.003 ( -4.248 0.000 7.583) 8.692 3.332 ( -7.479 0.000 -8.113) 11.034 3.739 ( 4.932 0.000 6.610) 8.247 3.971 ( 1.167 0.000 -3.509) 3.698 4.229 ( -9.194 0.000 -0.086) 9.194 4.315 ( -11.920 0.000 -2.985) 12.288 4.544 ( 0.796 0.000 1.709) 1.885 4.630 ( 0.140 0.000 11.667) 11.668 4.672 ( 5.063 0.000 -4.347) 6.673 4.834 ( 4.974 0.000 20.273) 20.874 5.409 ( -19.534 0.000 -25.368) 32.017 5.632 ( -13.202 0.000 -20.122) 24.067 6.174 ( 3.448 0.000 7.812) 8.539 6.286 ( -8.604 0.000 0.693) 8.631 6.472 ( -5.203 0.000 -7.561) 9.178 6.476 ( -12.614 0.000 -8.274) 15.086 7.084 ( 14.227 0.000 12.187) 18.732 7.367 ( -8.081 0.000 -0.154) 8.083 7.403 ( 3.418 0.000 -3.963) 5.233 7.465 ( -7.553 0.000 -2.390) 7.922 7.734 ( -0.719 0.000 1.100) 1.314 7.787 ( -0.491 0.000 -0.785) 0.926 8.545 ( 5.215 0.000 2.267) 5.686 8.553 ( 5.346 0.000 1.734) 5.620 9.763 ( 10.638 0.000 5.236) 11.857 9.861 ( 10.634 0.000 0.781) 10.662 10.459 ( -0.600 0.000 8.142) 8.164 10.746 ( -6.491 0.000 -5.418) 8.455 12.427 ( 3.844 0.000 3.199) 5.001 12.508 ( -0.259 0.000 -0.639) 0.689 12.606 ( -1.410 0.000 5.694) 5.866 12.968 ( -12.814 0.000 -12.620) 17.985 13.312 ( 5.165 0.000 -1.139) 5.289 13.539 ( -4.368 0.000 -11.619) 12.413 14.571 ( 3.931 0.000 9.414) 10.202 14.677 ( 9.756 0.000 7.378) 12.232 14.828 ( 3.619 0.000 -0.628) 3.673 14.836 ( 0.044 0.000 0.272) 0.275 14.985 ( -3.831 0.000 -0.337) 3.846 15.137 ( -3.071 0.000 -4.346) 5.322 16.093 ( 7.328 0.000 4.592) 8.648 16.244 ( 7.237 0.000 -2.597) 7.689 16.381 ( 3.866 0.000 7.617) 8.542 16.570 ( -1.402 0.000 1.536) 2.079 16.591 ( -4.668 0.000 2.925) 5.509 16.672 ( -3.840 0.000 -1.029) 3.975 16.742 ( 5.754 0.000 1.937) 6.072 16.789 ( 3.501 0.000 1.334) 3.746 16.986 ( 0.786 0.000 4.189) 4.262 17.314 ( -4.623 0.000 -10.226) 11.222 17.579 ( 0.483 0.000 0.703) 0.853 17.605 ( 0.130 0.000 -0.383) 0.405 18.109 ( -0.261 0.000 0.101) 0.280 18.117 ( -0.361 0.000 -0.194) 0.410 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 15.513 0.000 -0.439) 15.519 2.591 ( 2.762 0.000 -10.914) 11.258 2.677 ( -11.209 0.000 -0.288) 11.213 2.722 ( 13.852 0.000 9.342) 16.708 2.772 ( -10.415 0.000 -2.493) 10.709 2.907 ( -6.220 0.000 7.707) 9.904 3.041 ( 7.750 0.000 -7.247) 10.610 3.186 ( -7.611 0.000 -6.755) 10.176 3.848 ( 5.805 0.000 4.539) 7.368 3.942 ( -3.686 0.000 0.287) 3.697 4.098 ( -3.444 0.000 -1.140) 3.627 4.127 ( -6.547 0.000 -1.839) 6.800 4.580 ( 3.137 0.000 2.024) 3.734 4.650 ( -3.681 0.000 0.173) 3.686 4.752 ( 11.797 0.000 -1.141) 11.852 5.045 ( -17.969 0.000 -14.558) 23.126 5.060 ( 14.674 0.000 2.684) 14.917 5.352 ( -15.494 0.000 -10.652) 18.803 6.194 ( -0.466 0.000 -4.911) 4.933 6.269 ( 5.909 0.000 3.706) 6.975 6.270 ( -8.028 0.000 -8.015) 11.344 6.377 ( -5.124 0.000 -2.004) 5.502 7.253 ( -2.359 0.000 -2.561) 3.481 7.300 ( -6.910 0.000 -4.206) 8.090 7.308 ( 8.797 0.000 7.057) 11.278 7.415 ( -2.411 0.000 1.593) 2.890 7.768 ( 2.208 0.000 2.682) 3.473 7.791 ( -0.130 0.000 1.535) 1.541 8.616 ( 2.128 0.000 2.121) 3.004 8.621 ( 1.678 0.000 1.863) 2.507 9.934 ( 6.724 0.000 6.145) 9.109 9.990 ( 1.850 0.000 4.352) 4.729 10.482 ( 3.946 0.000 2.169) 4.503 10.604 ( -7.783 0.000 -2.816) 8.277 12.487 ( 2.151 0.000 1.919) 2.883 12.507 ( -0.183 0.000 0.970) 0.987 12.633 ( 4.150 0.000 -0.041) 4.150 12.759 ( -8.887 0.000 -6.443) 10.977 13.390 ( 3.348 0.000 -5.669) 6.584 13.456 ( -3.937 0.000 -8.669) 9.521 14.678 ( 6.695 0.000 8.028) 10.453 14.800 ( -5.073 0.000 6.392) 8.160 14.811 ( 4.486 0.000 4.660) 6.469 14.857 ( -0.474 0.000 2.133) 2.185 14.969 ( 3.136 0.000 -4.329) 5.346 15.058 ( -5.005 0.000 -4.653) 6.834 16.243 ( 7.660 0.000 5.386) 9.363 16.337 ( 0.127 0.000 2.277) 2.281 16.444 ( 3.206 0.000 5.216) 6.123 16.512 ( -3.790 0.000 2.763) 4.690 16.525 ( -0.159 0.000 0.068) 0.173 16.589 ( -4.744 0.000 -1.684) 5.034 16.821 ( 3.906 0.000 5.461) 6.714 16.868 ( 0.258 0.000 6.393) 6.398 17.045 ( 6.760 0.000 -4.053) 7.882 17.195 ( -7.583 0.000 -7.656) 10.775 17.590 ( 0.641 0.000 0.469) 0.795 17.601 ( -0.461 0.000 0.012) 0.461 18.107 ( 0.048 0.000 -0.018) 0.052 18.111 ( -0.295 0.000 -0.158) 0.335 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 20.651 17.399) 27.003 2.496 ( 0.000 6.788 11.515) 13.367 2.547 ( 0.000 10.118 -8.557) 13.251 2.730 ( 0.000 0.782 6.551) 6.598 3.011 ( 0.000 1.632 -7.236) 7.418 3.197 ( 0.000 4.923 9.248) 10.477 3.270 ( 0.000 -0.270 -8.943) 8.948 3.522 ( 0.000 -3.551 -4.209) 5.507 3.637 ( 0.000 -7.563 3.316) 8.258 3.688 ( 0.000 1.595 -1.425) 2.139 4.021 ( 0.000 -6.944 13.445) 15.133 4.465 ( 0.000 -11.043 -9.969) 14.877 4.692 ( 0.000 8.853 7.299) 11.473 5.037 ( 0.000 19.459 -5.928) 20.342 5.154 ( 0.000 4.369 10.349) 11.233 5.418 ( 0.000 -3.248 23.287) 23.512 5.832 ( 0.000 1.416 19.397) 19.449 5.993 ( 0.000 1.392 -2.470) 2.835 6.106 ( 0.000 -1.330 -7.174) 7.296 6.431 ( 0.000 -3.231 -20.878) 21.127 6.520 ( 0.000 -0.822 -8.591) 8.630 6.716 ( 0.000 -3.085 -14.829) 15.146 7.099 ( 0.000 0.463 -1.989) 2.043 7.224 ( 0.000 -1.792 -9.572) 9.738 7.243 ( 0.000 -10.572 5.712) 12.017 7.392 ( 0.000 -10.057 -2.236) 10.303 7.884 ( 0.000 -10.529 0.897) 10.567 8.049 ( 0.000 -11.432 -6.206) 13.008 8.430 ( 0.000 16.409 2.663) 16.624 8.530 ( 0.000 13.027 -3.665) 13.533 9.227 ( 0.000 3.910 6.278) 7.396 9.376 ( 0.000 3.520 -2.196) 4.149 10.562 ( 0.000 8.841 10.334) 13.599 10.930 ( 0.000 6.238 -8.696) 10.702 12.255 ( 0.000 -4.200 6.713) 7.918 12.498 ( 0.000 -5.509 -5.932) 8.095 12.958 ( 0.000 1.734 17.307) 17.393 13.074 ( 0.000 1.613 13.109) 13.208 13.659 ( 0.000 3.146 -15.694) 16.006 13.736 ( 0.000 2.062 -20.462) 20.565 14.054 ( 0.000 2.568 6.422) 6.916 14.344 ( 0.000 -0.574 -7.121) 7.144 14.690 ( 0.000 1.332 9.684) 9.775 14.805 ( 0.000 1.023 5.097) 5.199 15.136 ( 0.000 1.236 -4.088) 4.270 15.255 ( 0.000 -0.044 -7.899) 7.899 15.901 ( 0.000 -0.563 1.494) 1.597 15.967 ( 0.000 -3.118 -1.399) 3.418 16.087 ( 0.000 -2.506 3.050) 3.947 16.235 ( 0.000 -6.659 -3.545) 7.544 16.730 ( 0.000 -1.495 3.153) 3.489 16.757 ( 0.000 0.049 1.784) 1.785 16.797 ( 0.000 -3.516 11.163) 11.704 16.800 ( 0.000 1.647 1.191) 2.033 16.957 ( 0.000 -0.958 -5.789) 5.868 17.201 ( 0.000 -10.713 -7.106) 12.856 17.603 ( 0.000 3.794 0.317) 3.807 17.680 ( 0.000 8.309 -5.144) 9.773 18.110 ( 0.000 -2.128 0.183) 2.136 18.123 ( 0.000 -0.511 -0.854) 0.995 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 9.499 18.307 16.696) 26.535 2.316 ( -14.437 5.362 22.931) 27.622 2.590 ( 5.057 8.500 -16.364) 19.121 2.670 ( -4.116 1.142 0.914) 4.368 3.068 ( 1.001 0.584 -1.685) 2.045 3.185 ( -1.202 4.886 6.403) 8.143 3.291 ( -1.285 1.390 -13.795) 13.925 3.484 ( -1.324 -5.606 -2.049) 6.114 3.643 ( -1.195 -2.263 0.973) 2.738 3.724 ( 4.856 -3.256 -1.217) 5.972 4.077 ( 5.572 -8.817 12.535) 16.306 4.448 ( -2.070 -10.855 -8.678) 14.051 4.681 ( -0.525 12.420 9.128) 15.423 5.000 ( -5.169 18.869 -5.843) 20.419 5.050 ( -9.522 3.862 13.510) 16.974 5.128 ( -18.179 2.283 23.002) 29.407 5.958 ( -3.947 1.217 -13.088) 13.724 6.018 ( -1.828 -1.478 -7.182) 7.557 6.126 ( 3.571 -0.907 2.350) 4.370 6.297 ( 3.969 -1.729 0.119) 4.331 6.620 ( -1.046 -3.311 -6.364) 7.250 6.688 ( -1.089 -1.414 -11.413) 11.552 7.022 ( -7.713 0.995 -2.376) 8.132 7.194 ( -0.433 -2.906 -10.443) 10.848 7.281 ( 3.591 -10.137 5.504) 12.081 7.418 ( 1.937 -8.853 -2.163) 9.317 7.834 ( -5.327 -10.644 0.239) 11.905 7.987 ( -6.959 -11.634 -6.852) 15.190 8.469 ( 4.143 15.834 2.533) 16.562 8.529 ( 1.228 14.328 -1.027) 14.417 9.335 ( 9.841 2.503 5.126) 11.375 9.455 ( 7.706 2.801 -1.700) 8.374 10.564 ( 0.150 9.044 10.299) 13.707 10.931 ( -0.174 6.579 -8.479) 10.734 12.261 ( 0.626 -5.094 6.262) 8.097 12.481 ( -1.863 -6.390 -5.003) 8.327 12.876 ( -6.942 3.167 14.616) 16.488 13.109 ( 3.630 1.383 11.138) 11.796 13.574 ( -13.873 3.060 -19.906) 24.455 13.655 ( -0.566 2.796 -15.600) 15.859 14.179 ( 11.713 1.687 8.289) 14.448 14.452 ( 6.510 -3.526 -2.416) 7.787 14.664 ( 0.275 3.796 5.846) 6.976 14.833 ( 1.085 -0.454 2.725) 2.968 15.129 ( -0.707 2.086 -3.799) 4.391 15.229 ( -1.987 0.933 -5.388) 5.818 15.916 ( 1.738 -0.761 1.943) 2.715 16.001 ( 3.494 -2.575 -1.953) 4.759 16.135 ( 4.882 -2.545 4.336) 7.007 16.304 ( 6.660 -6.261 -3.326) 9.727 16.678 ( -3.839 -1.826 5.903) 7.274 16.730 ( -2.398 -0.179 2.255) 3.296 16.769 ( -1.083 -0.323 1.358) 1.767 16.854 ( 0.375 -1.198 3.957) 4.151 16.921 ( -1.353 -2.012 -1.550) 2.878 17.235 ( 2.627 -9.458 -7.803) 12.540 17.606 ( 0.298 3.795 0.418) 3.830 17.680 ( -0.084 7.821 -4.719) 9.135 18.108 ( -0.162 -2.079 0.136) 2.090 18.120 ( -0.317 -0.564 -0.789) 1.020 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -2.382 5.164 20.245) 21.028 2.161 ( 12.283 11.603 15.181) 22.715 2.575 ( -3.927 -0.187 -2.213) 4.511 2.733 ( 7.995 5.309 -13.836) 16.839 3.042 ( -3.170 -0.638 1.810) 3.706 3.131 ( -6.099 1.703 -1.617) 6.536 3.163 ( -8.828 1.408 -5.876) 10.697 3.437 ( -5.217 -2.480 -7.851) 9.747 3.648 ( 2.773 -2.367 4.081) 5.473 3.846 ( 6.621 -3.557 -4.120) 8.571 4.186 ( 4.234 -11.934 4.884) 13.572 4.373 ( -5.877 -9.785 -5.350) 12.606 4.661 ( -6.530 13.903 9.759) 18.198 4.780 ( -7.283 11.594 10.603) 17.317 4.877 ( -5.722 0.557 18.389) 19.266 4.957 ( -4.596 19.520 2.142) 20.168 5.760 ( -17.840 -0.958 -26.671) 32.101 5.848 ( -7.221 1.191 -20.626) 21.886 6.159 ( 0.886 1.762 6.127) 6.437 6.452 ( -5.990 -1.035 5.323) 8.080 6.545 ( 0.005 -3.222 -4.522) 5.552 6.688 ( 2.098 1.335 -3.172) 4.031 6.854 ( -4.582 0.078 4.227) 6.235 7.257 ( 5.633 -4.698 -8.988) 11.601 7.349 ( 1.740 -10.098 3.787) 10.924 7.433 ( -1.078 -8.298 -0.752) 8.402 7.709 ( -6.222 -10.155 -0.350) 11.915 7.806 ( -10.045 -9.200 -5.723) 14.774 8.574 ( 6.115 13.878 2.237) 15.329 8.595 ( 5.035 14.123 1.022) 15.029 9.548 ( 11.512 0.358 4.619) 12.409 9.643 ( 11.062 0.730 -0.582) 11.101 10.564 ( -0.162 9.708 9.560) 13.626 10.908 ( -2.613 7.452 -7.512) 10.899 12.282 ( 1.628 -7.509 4.772) 9.045 12.430 ( -3.135 -8.204 -2.439) 9.115 12.757 ( -4.434 5.798 9.697) 12.137 13.202 ( 4.992 0.459 5.250) 7.259 13.297 ( -13.306 5.376 -16.323) 21.734 13.629 ( -2.410 2.296 -14.516) 14.892 14.411 ( 9.630 -2.596 8.897) 13.366 14.512 ( 3.118 -2.229 6.597) 7.630 14.746 ( 5.807 2.073 -0.698) 6.205 14.828 ( -1.016 -1.738 -1.395) 2.449 15.108 ( -1.423 5.032 -0.821) 5.293 15.203 ( -0.741 2.801 -3.100) 4.243 15.976 ( 4.641 -0.761 3.081) 5.623 16.099 ( 6.664 -1.796 -2.770) 7.437 16.251 ( 6.311 -2.530 6.613) 9.485 16.451 ( 7.158 -6.094 -1.574) 9.531 16.626 ( -0.624 -2.531 4.638) 5.320 16.675 ( -3.174 -0.087 2.788) 4.226 16.736 ( -2.395 -0.021 -0.273) 2.411 16.796 ( -3.732 -1.808 -1.296) 4.345 16.944 ( 1.663 -1.901 5.356) 5.922 17.269 ( 0.452 -7.959 -8.376) 11.563 17.612 ( 0.311 3.809 0.567) 3.863 17.675 ( -0.485 6.621 -3.446) 7.480 18.103 ( -0.323 -1.916 0.017) 1.943 18.112 ( -0.489 -0.833 -0.603) 1.139 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 8.253 2.162 11.413) 14.250 2.448 ( 12.375 3.694 9.720) 16.163 2.552 ( 4.149 2.315 -3.102) 5.674 2.867 ( 2.824 -1.442 -3.876) 5.007 2.916 ( -12.519 -1.271 -7.605) 14.703 2.957 ( -3.684 0.837 -6.356) 7.394 3.046 ( -5.458 2.546 3.889) 7.169 3.307 ( -7.584 -2.766 -6.838) 10.579 3.743 ( 6.512 0.818 5.298) 8.435 3.934 ( 2.221 -2.573 -3.211) 4.676 4.204 ( -3.238 -4.493 -0.931) 5.616 4.242 ( -6.768 -5.621 -2.097) 9.045 4.535 ( -0.620 0.380 8.041) 8.074 4.657 ( -5.233 6.420 2.932) 8.786 4.809 ( -6.557 9.792 -0.640) 11.802 5.004 ( 9.076 16.203 11.640) 21.918 5.405 ( -18.306 0.500 -21.987) 28.614 5.689 ( -9.424 5.852 -17.483) 20.705 6.186 ( 2.084 1.841 6.105) 6.709 6.277 ( -8.208 -0.343 -0.223) 8.218 6.490 ( -4.743 2.894 -4.657) 7.250 6.554 ( -8.957 5.666 -7.487) 12.976 7.036 ( 13.485 -5.009 11.545) 18.445 7.273 ( -7.515 -8.783 -0.092) 11.560 7.322 ( -3.668 -8.657 -3.945) 10.196 7.391 ( -0.657 -6.786 -2.613) 7.301 7.642 ( 0.042 -9.117 1.692) 9.273 7.699 ( -1.231 -8.879 -0.897) 9.008 8.680 ( 4.754 12.781 2.186) 13.811 8.693 ( 4.578 13.346 1.434) 14.182 9.754 ( 9.709 -1.456 5.267) 11.141 9.842 ( 8.894 -2.336 1.221) 9.276 10.562 ( 0.292 11.003 6.866) 12.973 10.827 ( -5.793 8.668 -5.608) 11.838 12.315 ( 1.518 -10.693 2.586) 11.105 12.379 ( -1.903 -9.896 -0.947) 10.121 12.721 ( 0.586 8.021 5.366) 9.668 13.047 ( -10.792 7.470 -11.308) 17.324 13.319 ( 5.060 0.495 -0.258) 5.091 13.561 ( -4.483 1.974 -11.618) 12.608 14.510 ( 4.179 -4.571 7.903) 10.041 14.628 ( 5.424 -4.407 4.846) 8.504 14.810 ( 0.573 -2.353 0.804) 2.552 14.833 ( 1.803 -0.200 -1.208) 2.179 15.086 ( -0.483 8.796 1.571) 8.948 15.186 ( -1.356 5.452 -2.635) 6.206 16.095 ( 7.614 -0.411 4.567) 8.888 16.243 ( 7.749 -1.051 -2.277) 8.145 16.344 ( 3.202 -3.283 7.123) 8.472 16.501 ( -1.852 -6.207 2.406) 6.910 16.594 ( -3.950 0.051 2.218) 4.531 16.657 ( -2.021 -2.130 0.098) 2.937 16.737 ( 4.471 -0.456 1.226) 4.658 16.767 ( 2.726 -1.676 1.041) 3.365 16.964 ( 0.623 -2.090 3.866) 4.438 17.243 ( -3.334 -6.360 -7.974) 10.730 17.619 ( 0.390 3.811 0.551) 3.870 17.662 ( -0.819 5.263 -1.846) 5.637 18.097 ( -0.330 -1.706 -0.096) 1.740 18.103 ( -0.460 -1.323 -0.407) 1.458 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 14.779 0.378 -0.025) 14.784 2.566 ( 4.882 -2.115 -6.046) 8.054 2.655 ( -11.571 -1.153 -2.020) 11.802 2.731 ( -8.173 -2.141 0.170) 8.450 2.783 ( 8.813 2.980 4.636) 10.394 2.939 ( -5.790 2.054 5.292) 8.109 3.037 ( 6.025 -0.854 -6.531) 8.927 3.164 ( -7.228 -2.532 -5.739) 9.570 3.866 ( 5.554 2.030 4.472) 7.414 3.935 ( -1.786 -0.051 0.970) 2.033 4.113 ( -3.081 0.867 -0.658) 3.268 4.133 ( -4.512 0.476 -1.000) 4.646 4.601 ( 2.497 0.798 0.995) 2.804 4.680 ( -2.700 3.287 -4.315) 6.059 4.685 ( 8.271 -1.817 -4.808) 9.737 4.973 ( -15.868 -2.897 -14.734) 21.847 5.284 ( 9.056 17.371 4.248) 20.045 5.490 ( -11.071 13.135 -6.071) 18.220 6.183 ( -1.140 0.159 -4.363) 4.512 6.205 ( -1.537 -0.562 -2.483) 2.974 6.410 ( -0.168 8.616 -1.277) 8.712 6.457 ( -3.350 7.039 -2.149) 8.086 7.133 ( -2.095 -10.292 -1.761) 10.650 7.176 ( -6.457 -11.264 -3.756) 13.515 7.281 ( 8.047 -4.025 6.032) 10.832 7.387 ( -2.470 -3.700 1.138) 4.592 7.673 ( 1.804 -9.875 2.786) 10.418 7.693 ( -0.312 -10.337 1.689) 10.479 8.747 ( 2.027 12.628 2.014) 12.948 8.753 ( 1.468 12.800 1.704) 12.997 9.905 ( 5.666 -3.366 5.642) 8.676 9.949 ( 1.645 -4.366 4.063) 6.186 10.596 ( 3.731 11.812 1.814) 12.519 10.702 ( -6.704 10.379 -2.758) 12.660 12.337 ( 0.969 -12.500 0.437) 12.546 12.356 ( -0.911 -11.872 -0.649) 11.924 12.770 ( 4.223 9.558 1.149) 10.512 12.877 ( -7.103 9.622 -4.637) 12.827 13.401 ( 3.703 0.806 -4.856) 6.159 13.474 ( -4.226 1.548 -8.341) 9.478 14.603 ( 5.042 -5.685 6.388) 9.927 14.672 ( -1.112 -7.395 4.784) 8.877 14.821 ( 1.072 -1.949 0.672) 2.324 14.844 ( -0.709 -1.773 0.253) 1.926 15.100 ( 1.908 10.562 0.835) 10.765 15.147 ( -2.574 8.552 -1.288) 9.023 16.251 ( 8.213 0.201 5.326) 9.790 16.354 ( 1.321 1.354 1.883) 2.669 16.389 ( 1.806 -5.296 4.902) 7.439 16.427 ( -4.018 -7.780 3.186) 9.318 16.538 ( -0.520 0.482 0.397) 0.812 16.589 ( -4.250 -0.083 -1.088) 4.387 16.805 ( 3.680 -1.494 4.927) 6.329 16.848 ( 0.644 -1.763 5.591) 5.897 17.012 ( 5.872 -3.264 -3.293) 7.482 17.145 ( -6.643 -4.737 -6.443) 10.396 17.629 ( 0.715 3.865 0.189) 3.935 17.645 ( -0.912 4.280 -0.604) 4.418 18.093 ( -0.039 -1.672 -0.180) 1.682 18.095 ( -0.290 -1.618 -0.286) 1.668 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.000 20.494 12.026) 23.762 2.671 ( 0.000 11.456 14.734) 18.664 2.730 ( 0.000 1.281 8.982) 9.073 2.771 ( 0.000 9.894 -9.364) 13.623 3.054 ( 0.000 2.777 -3.274) 4.294 3.219 ( 0.000 -5.634 -1.873) 5.937 3.316 ( 0.000 7.337 4.846) 8.793 3.469 ( 0.000 -2.620 -6.049) 6.592 3.480 ( 0.000 -7.971 1.865) 8.186 3.694 ( 0.000 -1.395 -6.272) 6.425 3.866 ( 0.000 -7.473 5.488) 9.271 4.244 ( 0.000 -12.387 -10.607) 16.307 4.860 ( 0.000 8.305 19.531) 21.223 5.326 ( 0.000 -6.249 22.698) 23.542 5.373 ( 0.000 19.289 6.492) 20.353 5.474 ( 0.000 25.845 -5.437) 26.411 5.868 ( 0.000 2.415 17.960) 18.122 6.022 ( 0.000 0.962 14.871) 14.902 6.086 ( 0.000 0.496 -23.694) 23.700 6.352 ( 0.000 -4.873 -21.151) 21.705 6.502 ( 0.000 -1.053 -7.302) 7.378 6.642 ( 0.000 -4.415 -11.793) 12.592 6.963 ( 0.000 -18.707 4.708) 19.290 7.099 ( 0.000 -2.501 -4.177) 4.869 7.138 ( 0.000 -15.167 -3.619) 15.593 7.182 ( 0.000 -2.478 -8.563) 8.915 7.726 ( 0.000 -5.710 -0.390) 5.724 7.861 ( 0.000 -8.560 -6.519) 10.760 8.727 ( 0.000 14.449 1.519) 14.529 8.760 ( 0.000 11.067 -0.584) 11.083 9.293 ( 0.000 2.504 6.478) 6.945 9.424 ( 0.000 0.698 -1.021) 1.237 10.794 ( 0.000 15.011 7.184) 16.641 11.085 ( 0.000 9.111 -7.805) 11.997 12.153 ( 0.000 -5.945 5.605) 8.171 12.356 ( 0.000 -9.234 -5.059) 10.529 13.003 ( 0.000 2.908 17.017) 17.264 13.104 ( 0.000 1.100 14.197) 14.239 13.740 ( 0.000 5.117 -16.350) 17.132 13.790 ( 0.000 3.499 -21.013) 21.303 14.119 ( 0.000 4.158 6.467) 7.688 14.322 ( 0.000 -1.918 -2.250) 2.956 14.722 ( 0.000 1.915 4.847) 5.212 14.819 ( 0.000 0.032 -2.024) 2.024 15.193 ( 0.000 5.394 -0.161) 5.396 15.275 ( 0.000 2.872 -4.296) 5.167 15.826 ( 0.000 -11.251 2.633) 11.555 15.836 ( 0.000 -8.314 1.426) 8.435 16.076 ( 0.000 0.855 -1.786) 1.980 16.110 ( 0.000 -4.212 -2.281) 4.790 16.701 ( 0.000 -1.649 3.678) 4.030 16.720 ( 0.000 -3.944 8.776) 9.622 16.762 ( 0.000 0.374 1.610) 1.652 16.830 ( 0.000 1.386 0.792) 1.596 16.934 ( 0.000 -1.430 -4.491) 4.713 16.999 ( 0.000 -9.805 -3.423) 10.385 17.699 ( 0.000 6.182 0.883) 6.245 17.833 ( 0.000 7.661 -7.311) 10.590 18.049 ( 0.000 -4.369 0.503) 4.397 18.103 ( 0.000 -1.837 -2.797) 3.346 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 5.242 18.283 11.689) 22.325 2.455 ( -16.124 9.252 19.352) 26.834 2.673 ( -5.254 0.488 6.123) 8.083 2.777 ( 1.946 8.485 -13.587) 16.136 3.081 ( -1.085 0.277 2.681) 2.906 3.274 ( -3.445 3.615 -2.494) 5.582 3.326 ( -3.076 1.735 -5.486) 6.524 3.349 ( 2.214 -7.815 0.629) 8.147 3.563 ( 2.368 -3.994 0.430) 4.663 3.696 ( 2.275 -0.928 -6.080) 6.557 3.903 ( 3.599 -7.935 3.942) 9.563 4.235 ( -1.152 -11.701 -9.965) 15.412 4.893 ( 3.165 8.033 21.713) 23.367 5.120 ( -16.129 0.002 21.284) 26.705 5.260 ( -9.507 19.438 7.164) 22.793 5.471 ( -0.881 27.492 -4.552) 27.880 5.989 ( -3.660 0.689 -14.662) 15.127 5.999 ( -3.198 0.847 -4.466) 5.558 6.098 ( 6.239 -1.979 4.275) 7.818 6.255 ( 1.263 -2.374 -2.779) 3.867 6.549 ( -1.615 -4.105 -5.765) 7.258 6.643 ( 1.152 -2.989 -7.918) 8.541 6.975 ( -1.107 -13.326 0.697) 13.390 7.073 ( -0.160 -8.059 -4.578) 9.270 7.087 ( -2.534 -7.153 -2.784) 8.083 7.230 ( 2.713 -8.499 -6.197) 10.863 7.664 ( -6.171 -6.480 -0.363) 8.956 7.794 ( -6.778 -8.849 -6.429) 12.868 8.761 ( 3.477 14.163 1.815) 14.697 8.790 ( 3.353 13.092 0.058) 13.515 9.370 ( 7.266 0.828 5.819) 9.345 9.486 ( 5.971 -0.300 -0.667) 6.016 10.804 ( 0.954 15.678 7.120) 17.246 11.098 ( 1.014 10.059 -7.894) 12.827 12.135 ( -1.779 -7.564 5.369) 9.445 12.323 ( -3.325 -10.056 -4.485) 11.502 12.950 ( -4.445 4.529 14.707) 16.017 13.129 ( 2.602 0.267 12.471) 12.743 13.654 ( -11.567 5.162 -19.555) 23.298 13.721 ( -1.757 3.812 -16.089) 16.628 14.222 ( 9.061 2.893 7.120) 11.881 14.397 ( 5.133 -2.369 0.349) 5.664 14.715 ( 0.418 1.516 2.651) 3.082 14.814 ( -1.047 -1.607 -3.420) 3.922 15.209 ( 1.613 6.735 0.415) 6.938 15.275 ( 0.320 4.517 -2.481) 5.163 15.845 ( 2.087 -8.475 2.682) 9.131 15.880 ( 4.338 -10.000 1.557) 11.011 16.120 ( 4.607 0.717 -0.463) 4.685 16.186 ( 7.197 -4.227 -2.337) 8.668 16.638 ( -4.386 -2.168 5.834) 7.614 16.712 ( -2.178 -2.363 2.887) 4.320 16.756 ( -0.532 -0.483 2.319) 2.428 16.828 ( -3.159 -2.110 0.086) 3.800 16.888 ( 0.483 -0.549 -0.154) 0.747 17.067 ( 3.921 -7.648 -4.637) 9.766 17.702 ( 0.250 6.135 0.899) 6.206 17.826 ( -0.758 7.424 -6.623) 9.978 18.048 ( -0.070 -4.311 0.444) 4.335 18.098 ( -0.486 -1.953 -2.624) 3.307 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -7.490 7.503 17.751) 20.676 2.400 ( 7.040 11.187 10.628) 16.961 2.573 ( -3.303 0.425 1.058) 3.494 2.824 ( 2.349 3.378 -9.218) 10.094 3.031 ( -3.930 -1.178 3.100) 5.142 3.114 ( -11.109 -2.374 -5.246) 12.513 3.199 ( -6.776 1.048 -0.212) 6.860 3.369 ( -5.127 -4.370 -6.561) 9.404 3.629 ( 6.793 1.219 1.963) 7.175 3.807 ( 7.106 -0.209 -5.941) 9.265 3.984 ( 4.612 -9.000 0.957) 10.158 4.195 ( -2.856 -9.134 -7.319) 12.048 4.818 ( -14.119 4.624 16.113) 21.917 4.885 ( -7.733 0.528 17.374) 19.024 5.160 ( 2.016 26.027 7.994) 27.301 5.403 ( -6.471 25.932 -4.316) 27.074 5.753 ( -16.826 0.314 -24.075) 29.374 5.892 ( -3.223 4.456 -17.899) 18.725 6.209 ( 3.542 3.489 5.443) 7.372 6.433 ( -0.064 -1.409 8.435) 8.552 6.457 ( 2.415 -6.074 0.670) 6.570 6.673 ( 4.076 -2.740 -0.979) 5.007 6.858 ( -8.925 -0.997 -3.252) 9.551 7.099 ( 3.127 -14.402 -2.204) 14.901 7.128 ( 3.686 -10.787 -1.940) 11.564 7.248 ( -1.903 -10.049 -4.075) 11.010 7.517 ( -7.951 -8.127 0.373) 11.375 7.633 ( -8.681 -8.614 -5.341) 13.345 8.851 ( 5.571 14.466 2.319) 15.674 8.881 ( 5.679 15.250 0.640) 16.286 9.533 ( 8.943 -2.304 5.232) 10.614 9.626 ( 7.909 -2.993 0.270) 8.461 10.825 ( 1.225 17.297 6.460) 18.504 11.105 ( -0.727 12.627 -7.503) 14.706 12.096 ( -1.962 -11.562 4.255) 12.475 12.241 ( -4.816 -11.783 -3.324) 13.156 12.879 ( -2.135 7.098 10.493) 12.847 13.197 ( 4.160 -1.478 7.760) 8.928 13.425 ( -11.137 7.884 -15.922) 20.969 13.674 ( -3.390 1.734 -14.858) 15.338 14.377 ( 5.321 -0.247 7.436) 9.147 14.486 ( 5.070 -0.468 3.437) 6.143 14.739 ( 0.792 -2.755 0.281) 2.880 14.792 ( -0.161 -2.106 -3.984) 4.509 15.242 ( 1.724 9.162 1.944) 9.523 15.299 ( 2.123 7.750 -0.649) 8.062 15.910 ( 4.857 -7.388 3.583) 9.540 15.992 ( 7.139 -10.139 0.669) 12.418 16.231 ( 5.931 0.771 2.942) 6.666 16.345 ( 8.014 -3.318 -1.028) 8.734 16.569 ( -1.816 -3.281 3.974) 5.464 16.649 ( -4.030 -3.328 1.150) 5.351 16.728 ( -2.040 -0.316 0.870) 2.240 16.768 ( -1.989 -0.958 0.673) 2.308 16.916 ( 1.207 -0.539 2.900) 3.187 17.120 ( 1.353 -7.433 -5.276) 9.215 17.707 ( 0.257 6.032 0.837) 6.095 17.805 ( -1.408 6.909 -4.911) 8.593 18.046 ( -0.182 -4.187 0.266) 4.199 18.084 ( -0.904 -2.307 -2.106) 3.252 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 5.482 4.542 10.209) 12.447 2.458 ( 0.970 -1.921 2.547) 3.334 2.647 ( 9.206 6.073 3.288) 11.509 2.830 ( -3.695 -1.961 -0.496) 4.212 2.878 ( -12.114 -2.531 -4.749) 13.255 2.966 ( -2.092 -1.030 -6.280) 6.700 3.069 ( -6.315 0.305 1.495) 6.497 3.233 ( -7.771 -4.716 -5.035) 10.391 3.788 ( 8.800 4.012 2.380) 9.960 3.914 ( 3.731 0.767 -3.051) 4.880 4.081 ( 5.057 -7.215 -1.880) 9.009 4.141 ( -2.411 -4.874 -3.445) 6.437 4.610 ( -6.417 5.079 8.067) 11.491 4.708 ( -7.653 0.723 7.399) 10.670 5.075 ( -13.238 15.025 -10.181) 22.464 5.290 ( -12.967 8.098 -14.477) 21.054 5.523 ( 1.975 17.593 1.805) 17.796 5.870 ( -0.811 14.686 -10.140) 17.865 6.255 ( 1.308 5.246 3.161) 6.263 6.293 ( -6.159 2.480 0.017) 6.639 6.528 ( 1.068 -0.205 0.465) 1.182 6.659 ( -6.968 4.895 -6.618) 10.785 6.898 ( 12.223 -10.254 9.623) 18.632 7.079 ( -5.897 -12.423 -0.055) 13.751 7.130 ( -8.923 -9.164 -3.352) 13.223 7.222 ( 5.028 -11.478 -3.720) 13.072 7.420 ( -1.613 -13.067 2.955) 13.494 7.505 ( -4.791 -10.260 -1.909) 11.483 8.957 ( 5.072 15.532 2.485) 16.527 8.984 ( 4.567 16.338 1.098) 17.000 9.691 ( 7.273 -5.487 5.074) 10.428 9.761 ( 5.690 -6.404 1.692) 8.732 10.852 ( 1.721 19.032 4.397) 19.609 11.062 ( -3.692 15.754 -5.737) 17.168 12.067 ( -0.977 -15.302 2.121) 15.479 12.155 ( -3.977 -13.988 -2.593) 14.772 12.881 ( 2.297 9.048 6.417) 11.328 13.206 ( -6.679 8.044 -8.146) 13.254 13.316 ( 2.928 -0.511 0.254) 2.983 13.591 ( -5.080 0.414 -11.595) 12.666 14.451 ( 3.716 -0.863 5.969) 7.084 14.565 ( 2.262 -1.469 2.331) 3.565 14.742 ( 0.320 -4.726 -0.153) 4.740 14.801 ( 0.028 -3.403 -1.736) 3.820 15.279 ( 2.158 11.660 3.121) 12.262 15.336 ( 1.319 10.226 0.187) 10.313 16.027 ( 6.926 -8.178 4.667) 11.689 16.132 ( 6.506 -11.698 0.656) 13.402 16.307 ( 1.993 0.421 5.736) 6.087 16.429 ( 0.570 0.417 0.671) 0.974 16.575 ( -1.745 -4.476 2.775) 5.548 16.594 ( 0.677 -2.166 1.060) 2.505 16.724 ( 2.005 -0.648 1.316) 2.485 16.754 ( 1.908 -0.020 -0.198) 1.918 16.925 ( -0.227 -1.484 2.850) 3.221 17.113 ( -2.073 -6.885 -5.184) 8.865 17.712 ( 0.352 5.927 0.523) 5.961 17.774 ( -1.651 6.393 -2.942) 7.228 18.042 ( -0.175 -4.042 0.001) 4.046 18.066 ( -0.998 -2.852 -1.397) 3.328 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 12.612 1.269 0.866) 12.705 2.522 ( 5.857 -2.600 -1.892) 6.682 2.636 ( -12.689 -0.935 -3.000) 13.072 2.681 ( -9.527 -2.761 -0.394) 9.927 2.829 ( 8.461 1.758 2.377) 8.963 2.958 ( -5.156 0.252 1.741) 5.448 2.993 ( 3.187 -3.733 -4.263) 6.501 3.092 ( -6.683 -4.720 -3.918) 9.071 3.926 ( 4.675 4.158 3.321) 7.083 3.957 ( 0.850 2.327 1.126) 2.721 4.112 ( -0.402 -1.066 -0.161) 1.151 4.125 ( -0.729 -1.674 -0.449) 1.880 4.621 ( 6.569 2.298 -2.526) 7.404 4.674 ( 6.495 0.645 -5.008) 8.226 4.805 ( -12.903 7.233 -10.880) 18.363 4.945 ( -18.503 -0.285 -15.528) 24.157 5.675 ( 8.885 24.075 6.727) 26.529 5.814 ( -5.287 21.255 -0.355) 21.905 6.225 ( -0.397 4.380 -3.834) 5.834 6.253 ( -2.119 5.470 -2.853) 6.523 6.562 ( 2.968 5.787 0.410) 6.517 6.596 ( -0.458 7.308 -1.300) 7.436 6.923 ( -5.157 -12.654 -2.855) 13.960 6.940 ( -7.074 -11.092 -3.797) 13.693 7.158 ( 9.786 -8.960 6.491) 14.771 7.278 ( -1.168 -7.669 0.923) 7.812 7.412 ( 0.047 -17.991 2.718) 18.195 7.433 ( -2.348 -15.177 1.653) 15.446 9.031 ( 2.395 16.521 2.221) 16.841 9.042 ( 1.305 16.856 1.671) 16.989 9.799 ( 3.801 -8.035 4.614) 10.015 9.827 ( 1.003 -8.576 3.373) 9.270 10.899 ( 3.326 19.674 0.958) 19.976 10.978 ( -4.659 18.379 -2.738) 19.157 12.063 ( 0.658 -16.737 -0.148) 16.751 12.093 ( -2.442 -16.088 -1.778) 16.369 12.957 ( 5.287 10.359 1.836) 11.774 13.072 ( -6.610 10.804 -3.943) 13.265 13.398 ( 4.635 -1.835 -2.527) 5.588 13.491 ( -5.150 -0.597 -7.243) 8.908 14.525 ( 3.578 -1.810 4.101) 5.735 14.573 ( -1.191 -2.443 2.635) 3.786 14.757 ( 1.219 -4.679 -0.293) 4.844 14.785 ( -1.475 -4.441 -0.930) 4.772 15.319 ( 1.862 12.743 2.671) 13.153 15.344 ( -0.529 12.094 1.371) 12.183 16.147 ( 4.879 -12.105 4.421) 13.780 16.198 ( -0.042 -14.585 2.544) 14.806 16.351 ( 3.302 2.282 5.129) 6.513 16.413 ( -2.051 3.275 2.803) 4.774 16.538 ( -0.075 -0.814 1.475) 1.687 16.578 ( -2.692 -1.246 0.683) 3.044 16.779 ( 3.764 -0.777 3.359) 5.105 16.824 ( 0.960 -0.354 2.745) 2.930 16.939 ( 3.731 -4.137 -1.693) 5.822 17.042 ( -5.228 -5.801 -4.310) 8.920 17.723 ( 0.838 5.879 -0.162) 5.941 17.745 ( -1.409 6.016 -1.305) 6.315 18.041 ( 0.157 -3.816 -0.329) 3.833 18.049 ( -0.670 -3.413 -0.773) 3.563 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.000 12.225 10.143) 15.885 2.686 ( 0.000 -5.151 10.468) 11.667 2.896 ( 0.000 11.426 7.425) 13.627 2.968 ( 0.000 10.053 -0.040) 10.053 3.077 ( 0.000 -6.989 6.469) 9.524 3.093 ( 0.000 -2.458 -3.270) 4.090 3.355 ( 0.000 -3.788 -1.681) 4.145 3.371 ( 0.000 -6.170 -1.055) 6.260 3.473 ( 0.000 8.070 -0.115) 8.071 3.618 ( 0.000 -6.683 -5.853) 8.884 3.847 ( 0.000 5.727 -6.175) 8.421 4.017 ( 0.000 -11.295 -10.340) 15.313 5.018 ( 0.000 8.875 24.787) 26.328 5.185 ( 0.000 -8.598 24.332) 25.806 5.783 ( 0.000 19.190 5.655) 20.006 5.874 ( 0.000 8.727 4.937) 10.027 5.933 ( 0.000 6.033 13.405) 14.700 6.032 ( 0.000 1.700 -1.825) 2.494 6.184 ( 0.000 11.174 -14.638) 18.415 6.267 ( 0.000 -3.179 -20.460) 20.705 6.461 ( 0.000 -4.627 -1.645) 4.911 6.560 ( 0.000 -4.967 -8.692) 10.011 6.629 ( 0.000 -10.446 -3.212) 10.929 6.741 ( 0.000 -21.610 -5.464) 22.290 7.111 ( 0.000 0.794 -5.262) 5.321 7.138 ( 0.000 -2.051 -7.205) 7.491 7.680 ( 0.000 0.567 -2.902) 2.957 7.734 ( 0.000 -4.935 -5.262) 7.214 8.923 ( 0.000 5.629 1.574) 5.845 8.929 ( 0.000 5.819 1.442) 5.995 9.329 ( 0.000 2.349 4.460) 5.041 9.393 ( 0.000 -3.566 0.945) 3.689 11.069 ( 0.000 12.664 2.879) 12.987 11.196 ( 0.000 0.398 -3.512) 3.534 12.084 ( 0.000 0.223 1.757) 1.771 12.179 ( 0.000 -8.707 -3.120) 9.249 13.060 ( 0.000 2.963 16.526) 16.789 13.103 ( 0.000 -1.329 15.538) 15.595 13.827 ( 0.000 3.371 -17.906) 18.220 13.845 ( 0.000 1.508 -20.004) 20.061 14.200 ( 0.000 4.248 5.054) 6.603 14.272 ( 0.000 -3.365 2.244) 4.045 14.760 ( 0.000 2.171 -1.833) 2.841 14.800 ( 0.000 -1.893 -5.465) 5.784 15.348 ( 0.000 11.006 2.511) 11.288 15.384 ( 0.000 9.145 0.160) 9.147 15.585 ( 0.000 -13.653 3.108) 14.003 15.607 ( 0.000 -13.801 1.919) 13.934 16.089 ( 0.000 0.466 -2.458) 2.502 16.092 ( 0.000 0.457 -2.862) 2.899 16.666 ( 0.000 -1.425 6.614) 6.766 16.670 ( 0.000 -1.434 4.898) 5.104 16.778 ( 0.000 1.523 0.938) 1.788 16.826 ( 0.000 -3.033 0.414) 3.061 16.887 ( 0.000 -0.581 -1.776) 1.869 16.906 ( 0.000 -1.501 -2.684) 3.075 17.824 ( 0.000 6.922 1.053) 7.002 17.947 ( 0.000 -5.130 -0.056) 5.130 17.962 ( 0.000 4.803 -6.029) 7.709 18.051 ( 0.000 -3.781 -5.114) 6.360 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -2.637 8.353 12.031) 14.882 2.606 ( -9.259 0.675 11.393) 14.696 2.714 ( -8.560 8.721 8.120) 14.672 2.859 ( -4.728 -2.142 -5.087) 7.267 3.087 ( -1.413 2.209 5.498) 6.092 3.191 ( -2.436 -7.802 2.602) 8.578 3.321 ( -0.250 1.757 -6.969) 7.192 3.347 ( -2.429 -0.527 -4.268) 4.939 3.546 ( 5.602 2.803 1.500) 6.442 3.640 ( 4.029 -5.582 -4.402) 8.171 3.868 ( 2.054 4.924 -6.574) 8.466 4.024 ( 0.567 -10.459 -10.141) 14.579 5.009 ( -2.229 5.204 23.613) 24.283 5.089 ( -9.292 -3.110 22.480) 24.523 5.685 ( -4.833 21.709 8.988) 23.988 5.929 ( 4.836 1.599 3.301) 6.069 5.993 ( 0.836 12.036 -2.318) 12.286 6.046 ( -9.016 2.043 -22.208) 24.056 6.074 ( -2.791 3.515 -3.037) 5.419 6.232 ( 1.914 -0.468 -0.177) 1.979 6.467 ( 0.805 -2.998 -3.325) 4.549 6.598 ( 2.094 -1.737 -4.353) 5.133 6.675 ( 4.158 -12.999 -2.296) 13.840 6.734 ( -0.787 -20.033 -4.535) 20.555 7.089 ( -2.469 1.662 -4.758) 5.612 7.134 ( -0.547 -3.276 -6.853) 7.616 7.609 ( -6.909 0.357 -2.720) 7.434 7.662 ( -6.977 -5.080 -5.072) 10.010 8.964 ( 4.439 7.019 2.054) 8.555 8.984 ( 5.178 5.734 0.935) 7.783 9.379 ( 4.657 1.248 4.447) 6.558 9.439 ( 4.347 -4.131 1.154) 6.107 11.095 ( 2.512 13.553 2.809) 14.067 11.227 ( 3.033 1.000 -3.848) 5.000 12.036 ( -4.808 -0.823 1.840) 5.213 12.131 ( -4.801 -9.420 -3.034) 11.000 13.037 ( -1.853 4.535 14.750) 15.542 13.107 ( 0.639 -2.660 13.964) 14.229 13.744 ( -8.591 3.720 -18.492) 20.727 13.772 ( -4.820 0.909 -17.096) 17.786 14.286 ( 7.301 3.799 5.174) 9.721 14.352 ( 6.477 -2.870 2.678) 7.573 14.736 ( -1.985 1.353 -2.096) 3.188 14.774 ( -2.330 -2.481 -5.275) 6.278 15.382 ( 3.080 11.606 2.661) 12.299 15.412 ( 2.965 10.254 0.872) 10.710 15.625 ( 3.571 -13.434 3.229) 14.271 15.645 ( 3.961 -13.836 2.169) 14.554 16.142 ( 5.388 1.298 -1.743) 5.810 16.157 ( 6.559 -0.334 -2.579) 7.056 16.613 ( -4.305 0.030 5.004) 6.601 16.648 ( -3.223 -3.479 3.690) 6.009 16.760 ( -1.255 0.710 1.667) 2.204 16.784 ( -2.645 -1.959 0.712) 3.367 16.906 ( 1.914 2.027 -0.795) 2.899 16.961 ( 3.135 -3.993 -2.577) 5.693 17.825 ( 0.144 6.855 1.006) 6.930 17.945 ( -0.462 -1.318 -2.334) 2.720 17.956 ( -0.433 1.079 -3.188) 3.393 18.043 ( -0.746 -3.918 -4.718) 6.178 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -8.450 7.329 13.189) 17.294 2.463 ( -6.544 -3.376 8.643) 11.354 2.671 ( 2.335 8.883 3.465) 9.817 2.815 ( -0.803 -5.090 -3.092) 6.009 3.013 ( -5.981 0.657 4.406) 7.457 3.057 ( -8.987 -3.314 0.738) 9.607 3.227 ( -6.881 2.604 -4.865) 8.821 3.291 ( -6.135 -3.874 -6.576) 9.793 3.685 ( 9.132 4.306 -0.137) 10.097 3.780 ( 9.098 -4.951 -2.503) 10.656 3.917 ( 2.744 3.666 -6.288) 7.778 4.036 ( 0.703 -7.795 -8.413) 11.491 4.874 ( -11.746 1.783 16.868) 20.631 4.891 ( -9.673 -0.129 17.293) 19.815 5.611 ( -10.214 16.336 -6.824) 20.439 5.726 ( -18.661 0.898 -21.612) 28.567 5.850 ( -1.203 17.358 -1.981) 17.512 6.106 ( 7.861 18.407 -5.029) 20.638 6.211 ( 11.994 -12.914 11.312) 20.943 6.299 ( 2.527 -2.429 3.455) 4.922 6.460 ( -2.373 4.548 1.746) 5.418 6.629 ( 2.038 -0.033 -1.331) 2.434 6.714 ( -0.317 -14.351 -1.499) 14.432 6.760 ( 2.717 -18.435 -6.360) 19.689 7.027 ( -2.976 1.489 -1.404) 3.612 7.103 ( -3.243 -5.838 -4.430) 8.014 7.446 ( -9.341 0.182 -2.143) 9.585 7.501 ( -8.924 -5.238 -4.455) 11.266 9.081 ( 7.284 8.960 2.449) 11.804 9.111 ( 7.621 7.119 0.834) 10.462 9.481 ( 5.378 -1.490 4.444) 7.134 9.535 ( 5.061 -5.841 1.586) 7.890 11.155 ( 3.518 15.855 2.542) 16.439 11.296 ( 3.645 3.685 -4.500) 6.864 11.916 ( -7.187 -4.234 1.869) 8.549 12.011 ( -7.221 -11.522 -3.051) 13.936 13.016 ( 0.185 7.246 11.045) 13.211 13.135 ( 2.494 -5.149 10.195) 11.691 13.570 ( -8.896 7.005 -15.563) 19.246 13.667 ( -5.927 -2.873 -15.209) 16.574 14.413 ( 5.099 3.729 5.540) 8.402 14.476 ( 6.036 -1.742 3.792) 7.339 14.695 ( -2.184 -0.371 -2.762) 3.540 14.736 ( -1.268 -3.573 -4.078) 5.568 15.447 ( 3.603 12.494 3.376) 13.434 15.486 ( 4.073 11.617 1.404) 12.390 15.709 ( 5.260 -12.705 3.844) 14.278 15.750 ( 6.442 -14.186 2.128) 15.725 16.272 ( 7.095 3.149 1.404) 7.888 16.320 ( 9.502 -1.233 -1.034) 9.637 16.526 ( -4.111 -0.330 2.996) 5.097 16.569 ( -3.884 -4.193 0.878) 5.783 16.734 ( -1.370 0.719 2.147) 2.647 16.750 ( -1.077 -0.980 2.033) 2.501 16.934 ( 0.721 2.391 -0.191) 2.504 17.003 ( 1.108 -4.984 -2.752) 5.800 17.828 ( 0.118 6.703 0.814) 6.753 17.924 ( -1.517 5.100 -4.426) 6.921 17.951 ( -0.145 -5.139 0.225) 5.146 18.023 ( -1.358 -4.265 -3.681) 5.796 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 2.154 5.686 7.701) 9.812 2.395 ( 0.145 -4.667 4.386) 6.406 2.737 ( 3.078 3.390 1.812) 4.925 2.790 ( -3.648 -2.660 -1.092) 4.645 2.857 ( -9.040 1.364 -0.804) 9.178 2.914 ( -4.157 -3.778 -2.112) 6.001 3.089 ( -7.078 2.148 -2.336) 7.757 3.148 ( -7.840 -4.037 -4.106) 9.727 3.870 ( 9.313 4.326 -0.203) 10.271 3.957 ( 8.790 -3.569 -1.825) 9.661 3.968 ( 2.685 2.410 -3.676) 5.151 4.055 ( 1.340 -4.651 -4.473) 6.590 4.682 ( -7.059 2.493 8.180) 11.089 4.709 ( -7.425 -0.545 8.051) 10.966 5.278 ( -20.206 6.312 -17.685) 27.584 5.336 ( -21.356 -0.560 -20.427) 29.558 5.981 ( 9.663 26.593 9.148) 29.736 6.239 ( 4.879 20.979 -4.565) 22.018 6.324 ( 0.584 -0.940 2.356) 2.603 6.379 ( -0.204 4.389 0.629) 4.438 6.459 ( 7.832 -5.708 8.053) 12.600 6.657 ( -2.770 -7.442 -1.393) 8.062 6.698 ( 2.532 -6.892 -2.843) 7.874 6.787 ( -0.205 -17.293 -1.890) 17.397 7.003 ( -0.326 -5.489 -0.267) 5.505 7.025 ( -2.611 -4.459 -0.533) 5.194 7.276 ( -8.025 -0.954 0.222) 8.085 7.343 ( -7.693 -6.769 -2.565) 10.563 9.223 ( 7.100 11.611 2.804) 13.896 9.255 ( 6.867 10.382 1.188) 12.504 9.566 ( 3.331 -5.967 4.319) 8.084 9.612 ( 2.622 -8.691 2.044) 9.305 11.224 ( 3.664 18.812 1.776) 19.248 11.351 ( 1.748 10.787 -4.594) 11.854 11.785 ( -5.873 -11.225 1.509) 12.758 11.872 ( -6.934 -15.006 -3.099) 16.819 13.053 ( 3.736 9.111 6.792) 11.963 13.204 ( 4.537 -6.278 5.394) 9.439 13.414 ( -7.400 8.596 -10.389) 15.382 13.549 ( -6.293 -5.081 -11.115) 13.746 14.489 ( 3.328 4.476 4.155) 6.955 14.565 ( 3.120 -0.894 2.913) 4.361 14.659 ( -1.403 -1.696 -2.196) 3.109 14.716 ( -1.146 -5.092 -2.516) 5.794 15.517 ( 3.559 13.268 3.702) 14.227 15.555 ( 3.035 12.335 1.701) 12.817 15.813 ( 4.836 -12.704 4.408) 14.290 15.863 ( 4.428 -15.071 2.287) 15.873 16.362 ( 2.366 4.711 5.201) 7.406 16.464 ( -0.129 -5.318 3.971) 6.638 16.481 ( 4.085 3.137 -0.208) 5.155 16.550 ( 1.275 -3.218 -0.208) 3.468 16.725 ( 1.190 0.791 1.618) 2.159 16.745 ( 1.480 -1.025 0.753) 1.951 16.928 ( -1.325 2.121 0.252) 2.514 16.999 ( -1.602 -5.150 -2.594) 5.985 17.831 ( 0.215 6.535 0.382) 6.550 17.892 ( -1.777 5.921 -2.957) 6.852 17.949 ( -0.028 -5.703 0.131) 5.704 17.994 ( -1.536 -4.714 -2.397) 5.507 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 9.624 2.421 1.285) 10.007 2.469 ( 7.098 -2.993 0.334) 7.711 2.624 ( -11.216 -0.127 -1.602) 11.331 2.638 ( -9.591 -1.651 -0.594) 9.751 2.861 ( 5.227 2.126 -0.779) 5.696 2.917 ( 3.106 -3.826 -2.842) 5.689 2.967 ( -5.765 1.096 -0.701) 5.910 3.010 ( -6.355 -3.575 -2.513) 7.712 4.003 ( 3.879 3.621 1.008) 5.401 4.014 ( 1.887 3.476 0.289) 3.966 4.072 ( 2.249 -2.911 -0.020) 3.679 4.082 ( 0.928 -2.699 0.325) 2.873 4.667 ( 6.706 1.929 -3.724) 7.909 4.684 ( 6.368 0.054 -4.286) 7.676 4.909 ( -17.223 3.553 -13.302) 22.050 4.943 ( -18.644 -0.510 -14.392) 23.558 6.144 ( 6.917 23.333 5.638) 24.981 6.246 ( -3.587 22.026 1.118) 22.344 6.332 ( 2.011 4.981 -2.221) 5.813 6.382 ( -1.794 6.196 -2.808) 7.035 6.569 ( 5.095 -1.484 1.148) 5.430 6.663 ( 3.929 -9.285 -3.299) 10.608 6.684 ( -4.683 -6.240 1.909) 8.032 6.764 ( -3.068 -11.975 -1.743) 12.484 7.016 ( 4.892 -2.019 2.907) 6.038 7.068 ( 4.344 -11.998 1.539) 12.853 7.146 ( -5.709 -5.484 2.645) 8.347 7.197 ( -7.471 -9.078 0.363) 11.763 9.332 ( 3.783 14.935 2.755) 15.651 9.349 ( 2.315 15.026 1.960) 15.329 9.611 ( 1.609 -11.587 3.673) 12.261 9.632 ( -0.345 -12.025 2.669) 12.322 11.295 ( 3.647 21.543 0.040) 21.850 11.351 ( -1.760 20.181 -2.771) 20.446 11.718 ( -0.594 -19.405 -0.178) 19.415 11.760 ( -4.462 -19.106 -2.319) 19.757 13.150 ( 5.995 9.933 1.749) 11.733 13.265 ( -4.274 8.176 -3.409) 9.835 13.320 ( 3.373 -5.143 -0.580) 6.178 13.429 ( -6.256 -6.144 -5.506) 10.354 14.548 ( 2.774 3.977 1.861) 5.194 14.587 ( -0.928 3.321 0.676) 3.514 14.654 ( 1.137 -5.695 -0.228) 5.812 14.687 ( -1.858 -5.673 -1.064) 6.063 15.577 ( 2.411 14.665 3.350) 15.234 15.594 ( 0.767 14.528 2.442) 14.752 15.876 ( 1.971 -15.536 3.856) 16.128 15.900 ( -0.254 -16.363 2.849) 16.611 16.416 ( 3.795 4.055 4.744) 7.304 16.472 ( 0.590 1.257 2.313) 2.698 16.503 ( -0.728 -1.166 4.101) 4.325 16.544 ( -2.268 -2.449 2.176) 3.985 16.788 ( 4.708 1.665 0.875) 5.069 16.825 ( 4.872 -1.028 -0.951) 5.069 16.885 ( -2.518 0.038 0.207) 2.527 16.941 ( -4.346 -4.699 -2.068) 6.726 17.839 ( 0.743 6.349 -0.366) 6.403 17.860 ( -1.439 6.155 -1.482) 6.492 17.952 ( 0.464 -5.554 -0.416) 5.589 17.968 ( -1.147 -5.178 -1.256) 5.450 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 0.000 -22.198) 22.198 2.003 ( 0.000 0.000 22.198) 22.198 2.786 ( 0.000 0.000 -13.002) 13.002 2.786 ( 0.000 0.000 13.002) 13.002 2.953 ( 0.000 0.000 -17.369) 17.369 2.953 ( 0.000 0.000 17.369) 17.369 3.364 ( 0.000 0.000 -11.275) 11.275 3.364 ( 0.000 0.000 11.275) 11.275 3.748 ( 0.000 0.000 -0.920) 0.920 3.748 ( 0.000 0.000 0.920) 0.920 4.400 ( 0.000 0.000 -13.112) 13.112 4.400 ( 0.000 0.000 13.112) 13.112 4.687 ( 0.000 0.000 -6.270) 6.270 4.687 ( 0.000 0.000 6.270) 6.270 5.489 ( 0.000 0.000 -26.443) 26.443 5.489 ( 0.000 0.000 26.443) 26.443 5.890 ( 0.000 0.000 -19.316) 19.316 5.890 ( 0.000 0.000 19.316) 19.316 6.310 ( 0.000 0.000 -11.293) 11.293 6.310 ( 0.000 0.000 11.293) 11.293 6.417 ( 0.000 0.000 -18.106) 18.106 6.417 ( 0.000 0.000 18.106) 18.106 7.110 ( 0.000 0.000 -3.530) 3.530 7.110 ( 0.000 0.000 3.530) 3.530 7.439 ( 0.000 0.000 -3.906) 3.906 7.439 ( 0.000 0.000 3.906) 3.906 8.130 ( 0.000 0.000 -6.193) 6.193 8.130 ( 0.000 0.000 6.193) 6.193 8.249 ( 0.000 0.000 -2.084) 2.084 8.249 ( 0.000 0.000 2.084) 2.084 9.274 ( 0.000 0.000 -3.846) 3.846 9.274 ( 0.000 0.000 3.846) 3.846 10.689 ( 0.000 0.000 -10.297) 10.297 10.689 ( 0.000 0.000 10.297) 10.297 12.427 ( 0.000 0.000 -6.700) 6.700 12.427 ( 0.000 0.000 6.700) 6.700 13.314 ( 0.000 0.000 -21.010) 21.010 13.314 ( 0.000 0.000 21.010) 21.010 13.329 ( 0.000 0.000 -15.364) 15.364 13.329 ( 0.000 0.000 15.364) 15.364 14.175 ( 0.000 0.000 -8.643) 8.643 14.175 ( 0.000 0.000 8.643) 8.643 14.854 ( 0.000 0.000 -5.113) 5.113 14.854 ( 0.000 0.000 5.113) 5.113 15.098 ( 0.000 0.000 -5.496) 5.496 15.098 ( 0.000 0.000 5.496) 5.496 15.937 ( 0.000 0.000 -2.014) 2.014 15.937 ( 0.000 0.000 2.014) 2.014 16.216 ( 0.000 0.000 -4.663) 4.663 16.216 ( 0.000 0.000 4.663) 4.663 16.780 ( 0.000 0.000 -0.543) 0.543 16.780 ( 0.000 0.000 0.543) 0.543 16.839 ( 0.000 0.000 -5.423) 5.423 16.839 ( 0.000 0.000 5.423) 5.423 17.091 ( 0.000 0.000 -12.915) 12.915 17.091 ( 0.000 0.000 12.915) 12.915 17.566 ( 0.000 0.000 -0.124) 0.124 17.566 ( 0.000 0.000 0.124) 0.124 18.128 ( 0.000 0.000 -0.120) 0.120 18.128 ( 0.000 0.000 0.120) 0.120 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 9.674 0.000 -20.865) 22.998 2.100 ( 9.674 0.000 20.865) 22.998 2.620 ( -11.773 0.000 -10.206) 15.581 2.620 ( -11.773 0.000 10.206) 15.581 3.034 ( 3.289 0.000 -6.037) 6.875 3.034 ( 3.289 0.000 6.037) 6.875 3.341 ( -2.443 0.000 -11.021) 11.288 3.341 ( -2.443 0.000 11.021) 11.288 3.753 ( 0.897 0.000 -3.085) 3.212 3.753 ( 0.897 0.000 3.085) 3.212 4.447 ( 4.324 0.000 -10.219) 11.096 4.447 ( 4.324 0.000 10.219) 11.096 4.625 ( -6.236 0.000 -5.951) 8.620 4.625 ( -6.236 0.000 5.951) 8.620 5.443 ( -4.560 0.000 -27.684) 28.057 5.443 ( -4.560 0.000 27.684) 28.057 5.611 ( -20.499 0.000 -26.790) 33.733 5.611 ( -20.499 0.000 26.790) 33.733 6.395 ( -2.068 0.000 -16.176) 16.308 6.395 ( -2.068 0.000 16.176) 16.308 6.529 ( 12.857 0.000 -10.504) 16.602 6.529 ( 12.857 0.000 10.504) 16.602 7.043 ( -4.735 0.000 -5.795) 7.483 7.043 ( -4.735 0.000 5.795) 7.483 7.467 ( 2.605 0.000 -3.375) 4.263 7.467 ( 2.605 0.000 3.375) 4.263 8.030 ( -9.422 0.000 -5.083) 10.705 8.030 ( -9.422 0.000 5.083) 10.705 8.313 ( 6.020 0.000 -1.402) 6.181 8.313 ( 6.020 0.000 1.402) 6.181 9.375 ( 9.654 0.000 -2.894) 10.078 9.375 ( 9.654 0.000 2.894) 10.078 10.690 ( -0.109 0.000 -10.292) 10.293 10.690 ( -0.109 0.000 10.292) 10.293 12.431 ( 0.523 0.000 -6.217) 6.239 12.431 ( 0.523 0.000 6.217) 6.239 13.169 ( -12.282 0.000 -18.822) 22.474 13.169 ( -12.282 0.000 18.822) 22.474 13.337 ( 0.788 0.000 -14.404) 14.426 13.337 ( 0.788 0.000 14.404) 14.426 14.335 ( 13.671 0.000 -9.119) 16.433 14.335 ( 13.671 0.000 9.119) 16.433 14.810 ( -3.806 0.000 -8.410) 9.231 14.810 ( -3.806 0.000 8.410) 9.231 15.105 ( 0.281 0.000 -5.159) 5.166 15.105 ( 0.281 0.000 5.159) 5.166 15.961 ( 2.590 0.000 -2.422) 3.546 15.961 ( 2.590 0.000 2.422) 3.546 16.278 ( 6.074 0.000 -5.194) 7.992 16.278 ( 6.074 0.000 5.194) 7.992 16.763 ( -1.808 0.000 -1.041) 2.087 16.763 ( -1.808 0.000 1.041) 2.087 16.804 ( -3.007 0.000 -5.520) 6.286 16.804 ( -3.007 0.000 5.520) 6.286 17.115 ( 1.948 0.000 -12.269) 12.423 17.115 ( 1.948 0.000 12.269) 12.423 17.572 ( 0.556 0.000 -0.369) 0.667 17.572 ( 0.556 0.000 0.369) 0.667 18.126 ( -0.235 0.000 -0.167) 0.288 18.126 ( -0.235 0.000 0.167) 0.288 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 15.080 0.000 -17.433) 23.050 2.345 ( 15.080 0.000 17.433) 23.050 2.423 ( -7.721 0.000 -14.342) 16.289 2.423 ( -7.721 0.000 14.342) 16.289 3.024 ( -4.297 0.000 -0.924) 4.396 3.024 ( -4.297 0.000 0.924) 4.396 3.273 ( -4.620 0.000 -10.239) 11.233 3.273 ( -4.620 0.000 10.239) 11.233 3.797 ( 3.583 0.000 -6.288) 7.237 3.797 ( 3.583 0.000 6.288) 7.237 4.462 ( -10.277 0.000 -4.455) 11.201 4.462 ( -10.277 0.000 4.455) 11.201 4.535 ( 4.144 0.000 -4.161) 5.873 4.535 ( 4.144 0.000 4.161) 5.873 5.232 ( -18.011 0.000 -27.561) 32.924 5.232 ( -18.011 0.000 27.561) 32.924 5.336 ( -5.951 0.000 -27.584) 28.219 5.336 ( -5.951 0.000 27.584) 28.219 6.350 ( -2.211 0.000 -12.162) 12.362 6.350 ( -2.211 0.000 12.162) 12.362 6.570 ( -8.810 0.000 -5.421) 10.344 6.570 ( -8.810 0.000 5.421) 10.344 7.086 ( 9.694 0.000 -12.810) 16.065 7.086 ( 9.694 0.000 12.810) 16.065 7.508 ( -0.028 0.000 -1.931) 1.932 7.508 ( -0.028 0.000 1.931) 1.932 7.830 ( -9.159 0.000 -2.343) 9.454 7.830 ( -9.159 0.000 2.343) 9.454 8.446 ( 7.180 0.000 -0.389) 7.191 8.446 ( 7.180 0.000 0.389) 7.191 9.600 ( 12.939 0.000 -2.220) 13.128 9.600 ( 12.939 0.000 2.220) 13.128 10.674 ( -1.818 0.000 -9.760) 9.928 10.674 ( -1.818 0.000 9.760) 9.928 12.448 ( 1.320 0.000 -4.542) 4.730 12.448 ( 1.320 0.000 4.542) 4.730 12.931 ( -11.432 0.000 -14.832) 18.727 12.931 ( -11.432 0.000 14.832) 18.727 13.355 ( 0.898 0.000 -11.201) 11.236 13.355 ( 0.898 0.000 11.201) 11.236 14.599 ( 12.487 0.000 -7.196) 14.412 14.599 ( 12.487 0.000 7.196) 14.412 14.744 ( -2.302 0.000 -9.273) 9.554 14.744 ( -2.302 0.000 9.273) 9.554 15.095 ( -1.440 0.000 -4.448) 4.676 15.095 ( -1.440 0.000 4.448) 4.676 16.041 ( 5.817 0.000 -3.411) 6.743 16.041 ( 5.817 0.000 3.411) 6.743 16.420 ( 7.637 0.000 -6.444) 9.992 16.420 ( 7.637 0.000 6.444) 9.992 16.714 ( -3.186 0.000 -1.644) 3.586 16.714 ( -3.186 0.000 1.644) 3.586 16.752 ( -1.640 0.000 -4.455) 4.748 16.752 ( -1.640 0.000 4.455) 4.748 17.142 ( 0.444 0.000 -11.078) 11.087 17.142 ( 0.444 0.000 11.078) 11.087 17.584 ( 0.610 0.000 -0.694) 0.924 17.584 ( 0.610 0.000 0.694) 0.924 18.120 ( -0.366 0.000 -0.242) 0.439 18.120 ( -0.366 0.000 0.242) 0.439 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.153 0.000 -12.606) 12.607 2.350 ( 0.153 0.000 12.606) 12.607 2.642 ( 15.069 0.000 -12.770) 19.752 2.642 ( 15.069 0.000 12.770) 19.752 2.892 ( -8.707 0.000 -2.798) 9.145 2.892 ( -8.707 0.000 2.798) 9.145 3.170 ( -5.911 0.000 -8.791) 10.593 3.170 ( -5.911 0.000 8.791) 10.593 3.872 ( 3.633 0.000 -6.567) 7.505 3.872 ( 3.633 0.000 6.567) 7.505 4.256 ( -10.531 0.000 -2.705) 10.873 4.256 ( -10.531 0.000 2.705) 10.873 4.593 ( 2.096 0.000 -3.470) 4.054 4.593 ( 2.096 0.000 3.470) 4.054 4.952 ( -10.807 0.000 -21.330) 23.912 4.952 ( -10.807 0.000 21.330) 23.912 5.233 ( -4.556 0.000 -21.172) 21.657 5.233 ( -4.556 0.000 21.172) 21.657 6.324 ( -0.378 0.000 -7.844) 7.853 6.324 ( -0.378 0.000 7.844) 7.853 6.344 ( -12.112 0.000 -5.214) 13.186 6.344 ( -12.112 0.000 5.214) 13.186 7.283 ( 9.029 0.000 -8.488) 12.392 7.283 ( 9.029 0.000 8.488) 12.392 7.400 ( -9.706 0.000 -3.241) 10.233 7.400 ( -9.706 0.000 3.241) 10.233 7.766 ( 1.354 0.000 -1.593) 2.091 7.766 ( 1.354 0.000 1.593) 2.091 8.568 ( 5.261 0.000 -0.192) 5.265 8.568 ( 5.261 0.000 0.192) 5.265 9.841 ( 11.593 0.000 -2.706) 11.904 9.841 ( 11.593 0.000 2.706) 11.904 10.616 ( -4.090 0.000 -7.892) 8.889 10.616 ( -4.090 0.000 7.892) 8.889 12.481 ( 1.969 0.000 -2.248) 2.989 12.481 ( 1.969 0.000 2.248) 2.989 12.753 ( -7.003 0.000 -9.618) 11.897 12.753 ( -7.003 0.000 9.618) 11.897 13.362 ( -0.236 0.000 -6.354) 6.359 13.362 ( -0.236 0.000 6.354) 6.359 14.742 ( 2.225 0.000 -8.016) 8.319 14.742 ( 2.225 0.000 8.016) 8.319 14.785 ( 6.813 0.000 -3.945) 7.873 14.785 ( 6.813 0.000 3.945) 7.873 15.047 ( -3.638 0.000 -4.825) 6.043 15.047 ( -3.638 0.000 4.825) 6.043 16.178 ( 8.170 0.000 -4.114) 9.147 16.178 ( 8.170 0.000 4.114) 9.147 16.516 ( 1.704 0.000 -5.975) 6.213 16.516 ( 1.704 0.000 5.975) 6.213 16.641 ( -4.451 0.000 -2.210) 4.969 16.641 ( -4.451 0.000 2.210) 4.969 16.782 ( 5.206 0.000 -1.791) 5.505 16.782 ( 5.206 0.000 1.791) 5.505 17.125 ( -2.294 0.000 -9.218) 9.499 17.125 ( -2.294 0.000 9.218) 9.499 17.594 ( 0.364 0.000 -0.748) 0.832 17.594 ( 0.364 0.000 0.748) 0.832 18.113 ( -0.336 0.000 -0.241) 0.413 18.113 ( -0.336 0.000 0.241) 0.413 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 3.833 0.000 -5.891) 7.028 2.404 ( 3.833 0.000 5.891) 7.028 2.730 ( -6.576 0.000 -2.788) 7.143 2.730 ( -6.576 0.000 2.788) 7.143 2.890 ( 10.285 0.000 -8.161) 13.129 2.890 ( 10.285 0.000 8.161) 13.129 3.053 ( -6.310 0.000 -7.119) 9.513 3.053 ( -6.310 0.000 7.119) 9.513 3.919 ( 1.246 0.000 -2.651) 2.929 3.919 ( 1.246 0.000 2.651) 2.929 4.097 ( -5.014 0.000 -0.990) 5.111 4.097 ( -5.014 0.000 0.990) 5.111 4.621 ( 0.864 0.000 -2.278) 2.436 4.621 ( 0.864 0.000 2.278) 2.436 4.821 ( -3.171 0.000 -8.158) 8.753 4.821 ( -3.171 0.000 8.158) 8.753 5.169 ( -1.931 0.000 -8.102) 8.329 5.169 ( -1.931 0.000 8.102) 8.329 6.168 ( -5.222 0.000 -2.210) 5.671 6.168 ( -5.222 0.000 2.210) 5.671 6.330 ( 0.575 0.000 -2.813) 2.871 6.330 ( 0.575 0.000 2.813) 2.871 7.242 ( -5.038 0.000 -1.433) 5.238 7.242 ( -5.038 0.000 1.433) 5.238 7.403 ( 3.221 0.000 -2.838) 4.293 7.403 ( 3.221 0.000 2.838) 4.293 7.802 ( 1.325 0.000 -0.607) 1.457 7.802 ( 1.325 0.000 0.607) 1.457 8.638 ( 1.908 0.000 -0.127) 1.912 8.638 ( 1.908 0.000 0.127) 1.912 10.015 ( 5.548 0.000 -1.790) 5.830 10.015 ( 5.548 0.000 1.790) 5.830 10.539 ( -3.044 0.000 -3.585) 4.703 10.539 ( -3.044 0.000 3.585) 4.703 12.513 ( 1.055 0.000 -0.563) 1.196 12.513 ( 1.055 0.000 0.563) 1.196 12.665 ( -2.279 0.000 -3.344) 4.047 12.665 ( -2.279 0.000 3.344) 4.047 13.352 ( -0.512 0.000 -1.873) 1.942 13.352 ( -0.512 0.000 1.873) 1.942 14.817 ( 4.716 0.000 -5.716) 7.410 14.817 ( 4.716 0.000 5.716) 7.410 14.866 ( 1.949 0.000 -1.172) 2.275 14.866 ( 1.949 0.000 1.172) 2.275 14.961 ( -4.760 0.000 -4.758) 6.730 14.961 ( -4.760 0.000 4.758) 6.730 16.327 ( 6.182 0.000 -2.977) 6.861 16.327 ( 6.182 0.000 2.977) 6.861 16.518 ( -0.377 0.000 -2.095) 2.129 16.518 ( -0.377 0.000 2.095) 2.129 16.550 ( -4.399 0.000 -2.131) 4.887 16.550 ( -4.399 0.000 2.131) 4.887 16.905 ( 5.974 0.000 -2.907) 6.644 16.905 ( 5.974 0.000 2.907) 6.644 17.059 ( -3.999 0.000 -5.816) 7.059 17.059 ( -3.999 0.000 5.816) 7.059 17.598 ( 0.115 0.000 -0.330) 0.349 17.598 ( 0.115 0.000 0.330) 0.349 18.108 ( -0.139 0.000 -0.104) 0.174 18.108 ( -0.139 0.000 0.104) 0.174 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 14.811 -19.198) 24.247 2.160 ( 0.000 14.811 19.198) 24.247 2.825 ( 0.000 4.032 -11.540) 12.224 2.825 ( 0.000 4.032 11.540) 12.224 2.973 ( 0.000 2.119 -17.525) 17.653 2.973 ( 0.000 2.119 17.525) 17.653 3.386 ( 0.000 1.820 -9.500) 9.673 3.386 ( 0.000 1.820 9.500) 9.673 3.679 ( 0.000 -6.548 -0.981) 6.621 3.679 ( 0.000 -6.548 0.981) 6.621 4.262 ( 0.000 -11.227 -11.211) 15.866 4.262 ( 0.000 -11.227 11.211) 15.866 4.884 ( 0.000 17.465 -9.767) 20.010 4.884 ( 0.000 17.465 9.767) 20.010 5.506 ( 0.000 2.002 -25.817) 25.895 5.506 ( 0.000 2.002 25.817) 25.895 5.870 ( 0.000 -2.203 -20.546) 20.664 5.870 ( 0.000 -2.203 20.546) 20.664 6.302 ( 0.000 -0.691 -12.038) 12.058 6.302 ( 0.000 -0.691 12.038) 12.058 6.403 ( 0.000 -1.423 -17.614) 17.671 6.403 ( 0.000 -1.423 17.614) 17.671 7.103 ( 0.000 -0.827 -2.884) 3.000 7.103 ( 0.000 -0.827 2.884) 3.000 7.336 ( 0.000 -10.728 -3.829) 11.391 7.336 ( 0.000 -10.728 3.829) 11.391 7.937 ( 0.000 -11.312 -4.693) 12.247 7.937 ( 0.000 -11.312 4.693) 12.247 8.478 ( 0.000 15.034 -2.383) 15.222 8.478 ( 0.000 15.034 2.383) 15.222 9.321 ( 0.000 4.097 -3.739) 5.547 9.321 ( 0.000 4.097 3.739) 5.547 10.755 ( 0.000 6.960 -9.690) 11.931 10.755 ( 0.000 6.960 9.690) 11.931 12.381 ( 0.000 -4.809 -6.366) 7.978 12.381 ( 0.000 -4.809 6.366) 7.978 13.320 ( 0.000 0.767 -12.697) 12.720 13.320 ( 0.000 0.767 12.697) 12.720 13.364 ( 0.000 3.418 -7.399) 8.151 13.364 ( 0.000 3.418 7.399) 8.151 14.195 ( 0.000 2.015 -7.954) 8.206 14.195 ( 0.000 2.015 7.954) 8.206 14.835 ( 0.000 -1.930 -3.990) 4.432 14.835 ( 0.000 -1.930 3.990) 4.432 15.122 ( 0.000 2.769 -4.282) 5.100 15.122 ( 0.000 2.769 4.282) 5.100 15.932 ( 0.000 -0.968 -1.786) 2.032 15.932 ( 0.000 -0.968 1.786) 2.032 16.160 ( 0.000 -5.368 -4.053) 6.727 16.160 ( 0.000 -5.368 4.053) 6.727 16.774 ( 0.000 -0.612 -0.419) 0.742 16.774 ( 0.000 -0.612 0.419) 0.742 16.846 ( 0.000 0.618 -4.255) 4.299 16.846 ( 0.000 0.618 4.255) 4.299 17.023 ( 0.000 -6.396 -10.790) 12.543 17.023 ( 0.000 -6.396 10.790) 12.543 17.619 ( 0.000 5.093 -1.654) 5.355 17.619 ( 0.000 5.093 1.654) 5.355 18.113 ( 0.000 -1.641 -0.275) 1.663 18.113 ( 0.000 -1.641 0.275) 1.663 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 7.892 13.100 -18.193) 23.767 2.238 ( 7.892 13.100 18.193) 23.767 2.648 ( -12.256 2.814 -8.598) 15.233 2.648 ( -12.256 2.814 8.598) 15.233 3.060 ( 3.043 2.747 -5.690) 7.013 3.060 ( 3.043 2.747 5.690) 7.013 3.356 ( -2.989 1.012 -9.030) 9.565 3.356 ( -2.989 1.012 9.030) 9.565 3.688 ( 1.406 -5.894 -2.514) 6.560 3.688 ( 1.406 -5.894 2.514) 6.560 4.276 ( 0.814 -12.186 -9.151) 15.261 4.276 ( 0.814 -12.186 9.151) 15.261 4.865 ( -2.084 19.441 -8.221) 21.211 4.865 ( -2.084 19.441 8.221) 21.211 5.451 ( -5.079 1.073 -27.161) 27.653 5.451 ( -5.079 1.073 27.161) 27.653 5.615 ( -19.089 0.280 -25.803) 32.098 5.615 ( -19.089 0.280 25.803) 32.098 6.381 ( -1.245 -1.369 -14.814) 14.930 6.381 ( -1.245 -1.369 14.814) 14.930 6.513 ( 12.637 -1.689 -10.646) 16.609 6.513 ( 12.637 -1.689 10.646) 16.609 7.036 ( -5.090 -0.919 -4.632) 6.944 7.036 ( -5.090 -0.919 4.632) 6.944 7.368 ( 2.828 -10.135 -3.455) 11.075 7.368 ( 2.828 -10.135 3.455) 11.075 7.876 ( -6.432 -10.940 -4.216) 13.373 7.876 ( -6.432 -10.940 4.216) 13.373 8.508 ( 3.354 14.909 -1.502) 15.355 8.508 ( 3.354 14.909 1.502) 15.355 9.411 ( 8.696 3.083 -3.002) 9.702 9.411 ( 8.696 3.083 3.002) 9.702 10.757 ( 0.067 7.176 -9.716) 12.079 10.757 ( 0.067 7.176 9.716) 12.079 12.377 ( -0.385 -5.670 -5.835) 8.145 12.377 ( -0.385 -5.670 5.835) 8.145 13.198 ( -10.970 2.890 -18.519) 21.718 13.198 ( -10.970 2.890 18.519) 21.718 13.361 ( 0.536 2.458 -14.485) 14.702 13.361 ( 0.536 2.458 14.485) 14.702 14.337 ( 11.941 0.276 -7.890) 14.315 14.337 ( 11.941 0.276 7.890) 14.315 14.799 ( -2.992 -1.283 -6.204) 7.006 14.799 ( -2.992 -1.283 6.204) 7.006 15.133 ( 0.704 3.160 -3.955) 5.111 15.133 ( 0.704 3.160 3.955) 5.111 15.956 ( 2.605 -0.947 -2.273) 3.585 15.956 ( 2.605 -0.947 2.273) 3.585 16.226 ( 6.412 -5.017 -4.606) 9.354 16.226 ( 6.412 -5.017 4.606) 9.354 16.755 ( -2.046 -0.926 -0.383) 2.279 16.755 ( -2.046 -0.926 0.383) 2.279 16.802 ( -3.479 -0.266 -4.110) 5.391 16.802 ( -3.479 -0.266 4.110) 5.391 17.057 ( 2.576 -5.315 -10.088) 11.690 17.057 ( 2.576 -5.315 10.088) 11.690 17.624 ( 0.373 4.936 -1.604) 5.204 17.624 ( 0.373 4.936 1.604) 5.204 18.111 ( -0.228 -1.631 -0.242) 1.664 18.111 ( -0.228 -1.631 0.242) 1.664 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 2.034 4.878 -5.743) 7.805 2.424 ( 2.034 4.878 5.743) 7.805 2.459 ( 2.364 6.029 -3.461) 7.343 2.459 ( 2.364 6.029 3.461) 7.343 3.034 ( -5.497 0.995 -0.870) 5.654 3.034 ( -5.497 0.995 0.870) 5.654 3.278 ( -5.039 0.071 -8.611) 9.978 3.278 ( -5.039 0.071 8.611) 9.978 3.748 ( 4.803 -3.944 -5.639) 8.392 3.748 ( 4.803 -3.944 5.639) 8.392 4.269 ( -1.821 -11.772 -4.908) 12.883 4.269 ( -1.821 -11.772 4.908) 12.883 4.792 ( -5.853 18.342 -4.602) 19.796 4.792 ( -5.853 18.342 4.602) 19.796 5.239 ( -17.773 0.468 -20.245) 26.943 5.239 ( -17.773 0.468 20.245) 26.943 5.374 ( -3.196 4.408 -22.279) 22.935 5.374 ( -3.196 4.408 22.279) 22.935 6.344 ( -2.451 -0.303 -10.388) 10.678 6.344 ( -2.451 -0.303 10.388) 10.678 6.592 ( -5.754 1.784 -5.598) 8.224 6.592 ( -5.754 1.784 5.598) 8.224 7.049 ( 8.081 -3.922 -12.174) 15.128 7.049 ( 8.081 -3.922 12.174) 15.128 7.407 ( -0.415 -9.973 -2.312) 10.246 7.407 ( -0.415 -9.973 2.312) 10.246 7.726 ( -7.090 -9.111 -2.483) 11.809 7.726 ( -7.090 -9.111 2.483) 11.809 8.600 ( 5.743 13.785 -0.506) 14.942 8.600 ( 5.743 13.785 0.506) 14.942 9.615 ( 11.694 0.923 -2.395) 11.973 9.615 ( 11.694 0.923 2.395) 11.973 10.747 ( -1.399 7.843 -9.226) 12.190 10.747 ( -1.399 7.843 9.226) 12.190 12.368 ( -0.538 -8.030 -4.002) 8.988 12.368 ( -0.538 -8.030 4.002) 8.988 12.989 ( -9.559 5.589 -14.325) 18.106 12.989 ( -9.559 5.589 14.325) 18.106 13.376 ( 0.756 1.939 -11.470) 11.657 13.376 ( 0.756 1.939 11.470) 11.657 14.546 ( 7.912 -4.038 -3.999) 9.741 14.546 ( 7.912 -4.038 3.999) 9.741 14.765 ( 0.619 0.641 -3.750) 3.855 14.765 ( 0.619 0.641 3.750) 3.855 15.139 ( -0.058 4.890 -3.182) 5.835 15.139 ( -0.058 4.890 3.182) 5.835 16.037 ( 5.958 -0.810 -3.336) 6.876 16.037 ( 5.958 -0.810 3.336) 6.876 16.373 ( 7.814 -4.444 -5.723) 10.656 16.373 ( 7.814 -4.444 5.723) 10.656 16.699 ( -3.258 -2.176 -1.773) 4.300 16.699 ( -3.258 -2.176 1.773) 4.300 16.746 ( -1.930 0.017 -2.743) 3.354 16.746 ( -1.930 0.017 2.743) 3.354 17.094 ( 0.914 -4.433 -9.290) 10.334 17.094 ( 0.914 -4.433 9.290) 10.334 17.631 ( 0.313 4.535 -1.455) 4.773 17.631 ( 0.313 4.535 1.455) 4.773 18.105 ( -0.386 -1.641 -0.194) 1.697 18.105 ( -0.386 -1.641 0.194) 1.697 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -0.182 1.014 -11.581) 11.626 2.359 ( -0.182 1.014 11.581) 11.626 2.691 ( 12.675 4.305 -11.142) 17.416 2.691 ( 12.675 4.305 11.142) 17.416 2.881 ( -9.554 -1.039 -2.498) 9.930 2.881 ( -9.554 -1.039 2.498) 9.930 3.170 ( -6.071 -0.431 -7.367) 9.556 3.170 ( -6.071 -0.431 7.367) 9.556 3.851 ( 5.251 -1.326 -5.379) 7.633 3.851 ( 5.251 -1.326 5.379) 7.633 4.206 ( -4.637 -5.602 -1.292) 7.386 4.206 ( -4.637 -5.602 1.292) 7.386 4.667 ( -5.699 8.037 -4.417) 10.797 4.667 ( -5.699 8.037 4.417) 10.797 4.934 ( -13.600 -0.991 -16.030) 21.045 4.934 ( -13.600 -0.991 16.030) 21.045 5.361 ( 0.969 12.401 -15.494) 19.869 5.361 ( 0.969 12.401 15.494) 19.869 6.272 ( -5.922 -1.098 -2.124) 6.387 6.272 ( -5.922 -1.098 2.124) 6.387 6.451 ( -5.042 6.692 -2.103) 8.639 6.451 ( -5.042 6.692 2.103) 8.639 7.219 ( 4.844 -6.861 -7.179) 11.049 7.219 ( 4.844 -6.861 7.179) 11.049 7.313 ( -5.342 -8.057 -4.042) 10.478 7.313 ( -5.342 -8.057 4.042) 10.478 7.677 ( 1.115 -8.943 -1.577) 9.149 7.677 ( 1.115 -8.943 1.577) 9.149 8.705 ( 4.710 12.965 -0.318) 13.798 8.705 ( 4.710 12.965 0.318) 13.798 9.830 ( 10.131 -1.691 -2.458) 10.561 9.830 ( 10.131 -1.691 2.458) 10.561 10.701 ( -3.211 9.140 -7.266) 12.109 10.701 ( -3.211 9.140 7.266) 12.109 12.356 ( -0.643 -11.028 -1.614) 11.164 12.356 ( -0.643 -11.028 1.614) 11.164 12.855 ( -4.441 8.486 -8.631) 12.893 12.855 ( -4.441 8.486 8.631) 12.893 13.382 ( -0.239 1.722 -6.660) 6.883 13.382 ( -0.239 1.722 6.660) 6.883 14.637 ( 3.270 -6.462 -4.307) 8.427 14.637 ( 3.270 -6.462 4.307) 8.427 14.812 ( 2.513 -0.730 -1.025) 2.810 14.812 ( 2.513 -0.730 1.025) 2.810 15.132 ( -0.575 8.285 -2.869) 8.787 15.132 ( -0.575 8.285 2.869) 8.787 16.179 ( 8.433 -0.506 -4.072) 9.378 16.179 ( 8.433 -0.506 4.072) 9.378 16.467 ( 1.229 -4.651 -5.061) 6.983 16.467 ( 1.229 -4.651 5.061) 6.983 16.637 ( -3.719 -0.737 -1.955) 4.266 16.637 ( -3.719 -0.737 1.955) 4.266 16.764 ( 4.609 -1.532 -1.231) 5.010 16.764 ( 4.609 -1.532 1.231) 5.010 17.086 ( -1.836 -3.705 -7.958) 8.968 17.086 ( -1.836 -3.705 7.958) 8.968 17.635 ( 0.089 4.060 -1.112) 4.210 17.635 ( 0.089 4.060 1.112) 4.210 18.097 ( -0.382 -1.710 -0.169) 1.760 18.097 ( -0.382 -1.710 0.169) 1.760 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 3.946 0.677 -5.551) 6.844 2.410 ( 3.946 0.677 5.551) 6.844 2.705 ( -7.124 -2.222 -2.619) 7.909 2.705 ( -7.124 -2.222 2.619) 7.909 2.906 ( 9.313 0.745 -6.998) 11.673 2.906 ( 9.313 0.745 6.998) 11.673 3.052 ( -6.418 -0.483 -5.999) 8.798 3.052 ( -6.418 -0.483 5.999) 8.798 3.930 ( 2.638 1.269 -1.801) 3.437 3.930 ( 2.638 1.269 1.801) 3.437 4.113 ( -3.802 1.113 -0.753) 4.033 4.113 ( -3.802 1.113 0.753) 4.033 4.621 ( 0.915 0.161 -0.582) 1.096 4.621 ( 0.915 0.161 0.582) 1.096 4.730 ( -7.364 -4.572 -9.413) 12.796 4.730 ( -7.364 -4.572 9.413) 12.796 5.382 ( 0.723 18.061 -5.434) 18.874 5.382 ( 0.723 18.061 5.434) 18.874 6.155 ( -4.190 0.158 -1.322) 4.396 6.155 ( -4.190 0.158 1.322) 4.396 6.421 ( 0.270 7.919 -1.601) 8.084 6.421 ( 0.270 7.919 1.601) 8.084 7.125 ( -5.047 -10.819 -1.231) 12.001 7.125 ( -5.047 -10.819 1.231) 12.001 7.370 ( 3.204 -3.956 -2.891) 5.854 7.370 ( 3.204 -3.956 2.891) 5.854 7.706 ( 1.038 -10.039 -0.506) 10.106 7.706 ( 1.038 -10.039 0.506) 10.106 8.768 ( 1.761 12.658 -0.149) 12.781 8.768 ( 1.761 12.658 0.149) 12.781 9.976 ( 4.405 -4.263 -1.339) 6.275 9.976 ( 4.405 -4.263 1.339) 6.275 10.643 ( -2.108 10.957 -3.024) 11.561 10.643 ( -2.108 10.957 3.024) 11.561 12.345 ( -0.371 -12.878 -0.450) 12.891 12.345 ( -0.371 -12.878 0.450) 12.891 12.809 ( -0.878 10.217 -2.765) 10.621 12.809 ( -0.878 10.217 2.765) 10.621 13.372 ( -0.472 1.788 -2.018) 2.736 13.372 ( -0.472 1.788 2.018) 2.736 14.699 ( 2.675 -8.050 -2.661) 8.890 14.699 ( 2.675 -8.050 2.661) 8.890 14.828 ( -0.502 -2.551 -1.237) 2.879 14.828 ( -0.502 -2.551 1.237) 2.879 15.122 ( -0.347 11.427 -1.290) 11.505 15.122 ( -0.347 11.427 1.290) 11.505 16.336 ( 7.106 0.136 -3.181) 7.787 16.336 ( 7.106 0.136 3.181) 7.787 16.451 ( -2.182 -6.038 -1.163) 6.524 16.451 ( -2.182 -6.038 1.163) 6.524 16.559 ( -3.487 0.600 -1.734) 3.941 16.559 ( -3.487 0.600 1.734) 3.941 16.880 ( 5.722 -2.374 -2.478) 6.672 16.880 ( 5.722 -2.374 2.478) 6.672 17.028 ( -3.637 -3.015 -5.091) 6.945 17.028 ( -3.637 -3.015 5.091) 6.945 17.635 ( 0.003 3.732 -0.433) 3.757 17.635 ( 0.003 3.732 0.433) 3.757 18.092 ( -0.164 -1.785 -0.076) 1.794 18.092 ( -0.164 -1.785 0.076) 1.794 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.000 15.959 -14.011) 21.237 2.466 ( 0.000 15.959 14.011) 21.237 2.913 ( 0.000 4.042 -9.710) 10.518 2.913 ( 0.000 4.042 9.710) 10.518 3.035 ( 0.000 4.717 -15.079) 15.799 3.035 ( 0.000 4.717 15.079) 15.799 3.399 ( 0.000 -1.432 -2.708) 3.063 3.399 ( 0.000 -1.432 2.708) 3.063 3.557 ( 0.000 -4.849 -6.708) 8.276 3.557 ( 0.000 -4.849 6.708) 8.276 4.034 ( 0.000 -12.318 -10.721) 16.330 4.034 ( 0.000 -12.318 10.721) 16.330 5.266 ( 0.000 20.895 -16.571) 26.669 5.266 ( 0.000 20.895 16.571) 26.669 5.585 ( 0.000 7.471 -18.471) 19.925 5.585 ( 0.000 7.471 18.471) 19.925 5.813 ( 0.000 -3.177 -22.004) 22.232 5.813 ( 0.000 -3.177 22.004) 22.232 6.290 ( 0.000 -0.419 -12.614) 12.620 6.290 ( 0.000 -0.419 12.614) 12.620 6.370 ( 0.000 -1.827 -15.707) 15.813 6.370 ( 0.000 -1.827 15.707) 15.813 7.039 ( 0.000 -16.415 -3.003) 16.687 7.039 ( 0.000 -16.415 3.003) 16.687 7.094 ( 0.000 -4.248 -0.282) 4.257 7.094 ( 0.000 -4.248 0.282) 4.257 7.759 ( 0.000 -7.397 -3.748) 8.292 7.759 ( 0.000 -7.397 3.748) 8.292 8.749 ( 0.000 13.212 -0.763) 13.234 8.749 ( 0.000 13.212 0.763) 13.234 9.385 ( 0.000 1.877 -3.296) 3.793 9.385 ( 0.000 1.877 3.296) 3.793 10.937 ( 0.000 11.631 -7.681) 13.938 10.937 ( 0.000 11.631 7.681) 13.938 12.257 ( 0.000 -7.840 -5.290) 9.458 12.257 ( 0.000 -7.840 5.290) 9.458 13.339 ( 0.000 1.118 -8.160) 8.236 13.339 ( 0.000 1.118 8.160) 8.236 13.449 ( 0.000 5.224 -4.077) 6.627 13.449 ( 0.000 5.224 4.077) 6.627 14.240 ( 0.000 2.448 -5.822) 6.316 14.240 ( 0.000 2.448 5.822) 6.316 14.787 ( 0.000 -2.968 -2.061) 3.614 14.787 ( 0.000 -2.968 2.061) 3.614 15.209 ( 0.000 6.743 -2.181) 7.087 15.209 ( 0.000 6.743 2.181) 7.087 15.851 ( 0.000 -9.195 -0.036) 9.195 15.851 ( 0.000 -9.195 0.036) 9.195 16.073 ( 0.000 -2.167 -1.242) 2.498 16.073 ( 0.000 -2.167 1.242) 2.498 16.761 ( 0.000 -0.707 -1.733) 1.872 16.761 ( 0.000 -0.707 1.733) 1.872 16.856 ( 0.000 0.055 -1.911) 1.912 16.856 ( 0.000 0.055 1.911) 1.912 16.891 ( 0.000 -6.398 -6.875) 9.391 16.891 ( 0.000 -6.398 6.875) 9.391 17.735 ( 0.000 6.812 -3.190) 7.522 17.735 ( 0.000 6.812 3.190) 7.522 18.065 ( 0.000 -3.597 -1.285) 3.820 18.065 ( 0.000 -3.597 1.285) 3.820 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 4.120 13.838 -13.180) 19.549 2.508 ( 4.120 13.838 13.180) 19.549 2.714 ( -13.120 3.843 -4.786) 14.485 2.714 ( -13.120 3.843 4.786) 14.485 3.129 ( 1.978 4.193 -5.189) 6.958 3.129 ( 1.978 4.193 5.189) 6.958 3.341 ( -4.620 -3.322 -1.871) 5.990 3.341 ( -4.620 -3.322 1.871) 5.990 3.594 ( 3.655 -2.766 -3.784) 5.944 3.594 ( 3.655 -2.766 3.784) 5.944 4.041 ( 0.598 -12.241 -9.617) 15.579 4.041 ( 0.598 -12.241 9.617) 15.579 5.288 ( 0.380 23.308 -10.509) 25.570 5.288 ( 0.380 23.308 10.509) 25.570 5.492 ( -8.225 3.837 -22.161) 23.948 5.492 ( -8.225 3.837 22.161) 23.948 5.625 ( -14.508 1.705 -22.379) 26.724 5.625 ( -14.508 1.705 22.379) 26.724 6.348 ( 1.360 -2.180 -11.628) 11.908 6.348 ( 1.360 -2.180 11.628) 11.908 6.472 ( 10.502 -2.279 -10.596) 15.091 6.472 ( 10.502 -2.279 10.596) 15.091 6.977 ( -5.096 -8.697 -1.999) 10.276 6.977 ( -5.096 -8.697 1.999) 10.276 7.136 ( 3.327 -10.819 -4.077) 12.031 7.136 ( 3.327 -10.819 4.077) 12.031 7.695 ( -6.348 -7.780 -3.575) 10.659 7.695 ( -6.348 -7.780 3.575) 10.659 8.785 ( 3.724 13.818 -0.677) 14.327 8.785 ( 3.724 13.818 0.677) 14.327 9.453 ( 6.588 0.641 -2.918) 7.234 9.453 ( 6.588 0.641 2.918) 7.234 10.947 ( 0.912 12.326 -7.783) 14.606 10.947 ( 0.912 12.326 7.783) 14.606 12.233 ( -2.416 -9.089 -4.933) 10.620 12.233 ( -2.416 -9.089 4.933) 10.620 13.265 ( -7.455 3.836 -16.190) 18.232 13.265 ( -7.455 3.836 16.190) 18.232 13.420 ( -1.239 3.448 -13.218) 13.717 13.420 ( -1.239 3.448 13.218) 13.717 14.347 ( 8.822 0.805 -5.247) 10.296 14.347 ( 8.822 0.805 5.247) 10.296 14.760 ( -2.060 -2.692 -2.434) 4.173 14.760 ( -2.060 -2.692 2.434) 4.173 15.231 ( 2.039 7.543 -1.889) 8.039 15.231 ( 2.039 7.543 1.889) 8.039 15.882 ( 3.117 -8.401 -1.127) 9.031 15.882 ( 3.117 -8.401 1.127) 9.031 16.140 ( 6.679 -2.506 -2.114) 7.441 16.140 ( 6.679 -2.506 2.114) 7.441 16.724 ( -4.086 -2.344 -2.264) 5.226 16.724 ( -4.086 -2.344 2.264) 5.226 16.793 ( -2.662 -0.601 -2.101) 3.444 16.793 ( -2.662 -0.601 2.101) 3.444 16.959 ( 3.537 -4.281 -6.061) 8.221 16.959 ( 3.537 -4.281 6.061) 8.221 17.736 ( 0.083 6.671 -2.968) 7.302 17.736 ( 0.083 6.671 2.968) 7.302 18.062 ( -0.218 -3.587 -1.186) 3.784 18.062 ( -0.218 -3.587 1.186) 3.784 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -8.857 2.980 -8.926) 12.923 2.485 ( -8.857 2.980 8.926) 12.923 2.622 ( 6.543 8.483 -10.341) 14.890 2.622 ( 6.543 8.483 10.341) 14.890 3.055 ( -8.439 0.994 -0.590) 8.518 3.055 ( -8.439 0.994 0.590) 8.518 3.251 ( -5.165 -3.082 -5.202) 7.952 3.251 ( -5.165 -3.082 5.202) 7.952 3.702 ( 7.389 -0.236 -4.818) 8.824 3.702 ( 7.389 -0.236 4.818) 8.824 4.054 ( 0.867 -10.671 -6.372) 12.459 4.054 ( 0.867 -10.671 6.372) 12.459 5.132 ( -15.187 13.623 -12.245) 23.794 5.132 ( -15.187 13.623 12.245) 23.794 5.252 ( -16.756 1.745 -19.621) 25.861 5.252 ( -16.756 1.745 19.621) 25.861 5.541 ( 5.803 15.886 -13.419) 21.589 5.541 ( 5.803 15.886 13.419) 21.589 6.350 ( -1.173 0.963 -7.222) 7.379 6.350 ( -1.173 0.963 7.222) 7.379 6.609 ( 0.472 -0.567 -6.276) 6.319 6.609 ( 0.472 -0.567 6.276) 6.319 6.933 ( 3.782 -9.522 -9.352) 13.872 6.933 ( 3.782 -9.522 9.352) 13.872 7.181 ( -0.012 -12.204 -3.180) 12.611 7.181 ( -0.012 -12.204 3.180) 12.611 7.550 ( -7.248 -8.465 -3.101) 11.567 7.550 ( -7.248 -8.465 3.101) 11.567 8.881 ( 5.827 14.881 -0.758) 15.999 8.881 ( 5.827 14.881 0.758) 15.999 9.606 ( 8.667 -2.327 -2.416) 9.294 9.606 ( 8.667 -2.327 2.416) 9.294 10.960 ( 0.166 14.227 -7.487) 16.078 10.960 ( 0.166 14.227 7.487) 16.078 12.173 ( -3.543 -12.081 -3.791) 13.148 12.173 ( -3.543 -12.081 3.791) 13.148 13.117 ( -6.675 7.579 -14.075) 17.323 13.117 ( -6.675 7.579 14.075) 17.323 13.409 ( -0.203 0.978 -12.258) 12.299 13.409 ( -0.203 0.978 12.258) 12.299 14.490 ( 4.957 -1.322 -3.474) 6.196 14.490 ( 4.957 -1.322 3.474) 6.196 14.742 ( 0.539 -3.001 -0.935) 3.189 14.742 ( 0.539 -3.001 0.935) 3.189 15.278 ( 2.612 9.660 -1.600) 10.134 15.278 ( 2.612 9.660 1.600) 10.134 15.969 ( 6.089 -7.744 -2.483) 10.159 15.969 ( 6.089 -7.744 2.483) 10.159 16.298 ( 8.482 -2.133 -3.473) 9.411 16.298 ( 8.482 -2.133 3.473) 9.411 16.636 ( -4.008 -4.033 -2.442) 6.188 16.636 ( -4.008 -4.033 2.442) 6.188 16.755 ( -1.702 0.660 -1.565) 2.404 16.755 ( -1.702 0.660 1.565) 2.404 17.007 ( 1.376 -4.256 -6.007) 7.489 17.007 ( 1.376 -4.256 6.007) 7.489 17.736 ( -0.118 6.343 -2.391) 6.779 17.736 ( -0.118 6.343 2.391) 6.779 18.056 ( -0.437 -3.605 -0.925) 3.747 18.056 ( -0.437 -3.605 0.925) 3.747 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -1.124 1.704 -8.607) 8.846 2.386 ( -1.124 1.704 8.607) 8.846 2.758 ( 6.959 2.050 -6.570) 9.787 2.758 ( 6.959 2.050 6.570) 9.787 2.861 ( -10.649 -0.747 -2.913) 11.065 2.861 ( -10.649 -0.747 2.913) 11.065 3.140 ( -6.192 -2.623 -4.707) 8.208 3.140 ( -6.192 -2.623 4.707) 8.208 3.851 ( 7.576 1.566 -3.515) 8.498 3.851 ( 7.576 1.566 3.515) 8.498 4.080 ( 1.908 -6.723 -2.070) 7.289 4.080 ( 1.908 -6.723 2.070) 7.289 4.830 ( -14.492 6.408 -13.355) 20.723 4.830 ( -14.492 6.408 13.355) 20.723 4.942 ( -14.876 2.767 -16.482) 22.374 4.942 ( -14.876 2.767 16.482) 22.374 5.679 ( 7.042 21.544 -9.814) 24.699 5.679 ( 7.042 21.544 9.814) 24.699 6.293 ( -4.846 3.180 -1.050) 5.891 6.293 ( -4.846 3.180 1.050) 5.891 6.558 ( -1.875 3.880 -3.424) 5.504 6.558 ( -1.875 3.880 3.424) 5.504 7.047 ( -1.900 -11.291 -4.466) 12.290 7.047 ( -1.900 -11.291 4.466) 12.290 7.130 ( 2.424 -10.759 -4.474) 11.902 7.130 ( 2.424 -10.759 4.474) 11.902 7.469 ( -1.627 -11.825 -2.081) 12.116 7.469 ( -1.627 -11.825 2.081) 12.116 8.988 ( 4.938 16.011 -0.706) 16.770 8.988 ( 4.938 16.011 0.706) 16.770 9.760 ( 6.875 -5.974 -1.924) 9.309 9.760 ( 6.875 -5.974 1.924) 9.309 10.950 ( -1.120 16.759 -5.707) 17.739 10.950 ( -1.120 16.759 5.707) 17.739 12.109 ( -2.955 -15.060 -2.261) 15.513 12.109 ( -2.955 -15.060 2.261) 15.513 13.030 ( -2.557 9.811 -8.932) 13.512 13.030 ( -2.557 9.811 8.932) 13.512 13.404 ( -0.395 -0.063 -7.635) 7.645 13.404 ( -0.395 -0.063 7.635) 7.645 14.549 ( 2.129 -2.247 -3.686) 4.813 14.549 ( 2.129 -2.247 3.686) 4.813 14.761 ( 0.693 -4.336 -2.079) 4.858 14.761 ( 0.693 -4.336 2.079) 4.858 15.324 ( 2.054 11.755 -1.501) 12.027 15.324 ( 2.054 11.755 1.501) 12.027 16.103 ( 7.232 -9.078 -3.104) 12.014 16.103 ( 7.232 -9.078 3.104) 12.014 16.401 ( 1.652 -0.501 -3.586) 3.980 16.401 ( 1.652 -0.501 3.586) 3.980 16.602 ( -0.307 -3.081 -0.352) 3.116 16.602 ( -0.307 -3.081 0.352) 3.116 16.745 ( 1.952 -0.205 -0.909) 2.162 16.745 ( 1.952 -0.205 0.909) 2.162 17.008 ( -1.250 -4.049 -5.422) 6.881 17.008 ( -1.250 -4.049 5.422) 6.881 17.732 ( -0.303 5.989 -1.587) 6.204 17.732 ( -0.303 5.989 1.587) 6.204 18.047 ( -0.486 -3.696 -0.580) 3.773 18.047 ( -0.486 -3.696 0.580) 3.773 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 4.357 1.281 -4.454) 6.361 2.429 ( 4.357 1.281 4.454) 6.361 2.659 ( -8.334 -2.540 -2.066) 8.954 2.659 ( -8.334 -2.540 2.066) 8.954 2.898 ( 6.641 -1.443 -4.521) 8.162 2.898 ( 6.641 -1.443 4.521) 8.162 3.022 ( -6.120 -2.582 -3.516) 7.515 3.022 ( -6.120 -2.582 3.516) 7.515 3.967 ( 3.915 2.549 -0.585) 4.708 3.967 ( 3.915 2.549 0.585) 4.708 4.113 ( 0.829 -1.256 -0.422) 1.563 4.113 ( 0.829 -1.256 0.422) 1.563 4.644 ( -3.518 1.967 -4.169) 5.799 4.644 ( -3.518 1.967 4.169) 5.799 4.708 ( -8.809 1.722 -7.848) 11.923 4.708 ( -8.809 1.722 7.848) 11.923 5.777 ( 2.800 23.769 -3.695) 24.217 5.777 ( 2.800 23.769 3.695) 24.217 6.202 ( -3.263 4.953 -1.378) 6.089 6.202 ( -3.263 4.953 1.378) 6.089 6.576 ( 2.538 7.355 -0.927) 7.836 6.576 ( 2.538 7.355 0.927) 7.836 6.897 ( -6.925 -12.109 -0.451) 13.956 6.897 ( -6.925 -12.109 0.451) 13.956 7.253 ( 4.893 -8.503 -3.299) 10.350 7.253 ( 4.893 -8.503 3.299) 10.350 7.446 ( -1.094 -16.556 -0.564) 16.602 7.446 ( -1.094 -16.556 0.564) 16.602 9.056 ( 1.891 16.839 -0.293) 16.948 9.056 ( 1.891 16.839 0.293) 16.948 9.853 ( 2.623 -8.804 -0.803) 9.221 9.853 ( 2.623 -8.804 0.803) 9.221 10.929 ( -0.781 18.791 -2.171) 18.932 10.929 ( -0.781 18.791 2.171) 18.932 12.068 ( -1.126 -16.711 -0.767) 16.766 12.068 ( -1.126 -16.711 0.767) 16.766 13.006 ( -0.327 10.722 -3.077) 11.159 13.006 ( -0.327 10.722 3.077) 11.159 13.396 ( -0.345 -0.047 -2.478) 2.503 13.396 ( -0.345 -0.047 2.478) 2.503 14.584 ( 1.302 -3.498 -1.631) 4.074 14.584 ( 1.302 -3.498 1.631) 4.074 14.761 ( -0.365 -4.580 -1.058) 4.715 14.761 ( -0.365 -4.580 1.058) 4.715 15.351 ( 0.737 13.079 -0.628) 13.115 15.351 ( 0.737 13.079 0.628) 13.115 16.207 ( 2.724 -13.414 -1.524) 13.772 16.207 ( 2.724 -13.414 1.524) 13.772 16.421 ( 1.576 2.590 -1.912) 3.585 16.421 ( 1.576 2.590 1.912) 3.585 16.567 ( -2.592 0.068 -1.459) 2.975 16.567 ( -2.592 0.068 1.459) 2.975 16.833 ( 5.215 -2.238 -1.868) 5.974 16.833 ( 5.215 -2.238 1.868) 5.974 16.961 ( -3.241 -3.741 -3.673) 6.164 16.961 ( -3.241 -3.741 3.673) 6.164 17.727 ( -0.162 5.749 -0.569) 5.780 17.727 ( -0.162 5.749 0.569) 5.780 18.040 ( -0.219 -3.792 -0.199) 3.803 18.040 ( -0.219 -3.792 0.199) 3.803 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 0.000 8.781 -8.689) 12.354 2.708 ( 0.000 8.781 8.689) 12.354 2.927 ( 0.000 -2.237 -9.131) 9.401 2.927 ( 0.000 -2.237 9.131) 9.401 3.152 ( 0.000 6.431 -4.191) 7.676 3.152 ( 0.000 6.431 4.191) 7.676 3.335 ( 0.000 -4.191 -1.156) 4.347 3.335 ( 0.000 -4.191 1.156) 4.347 3.518 ( 0.000 -0.151 -4.359) 4.362 3.518 ( 0.000 -0.151 4.359) 4.362 3.844 ( 0.000 -6.503 -6.179) 8.971 3.844 ( 0.000 -6.503 6.179) 8.971 5.539 ( 0.000 8.759 -27.296) 28.667 5.539 ( 0.000 8.759 27.296) 28.667 5.665 ( 0.000 -4.344 -22.436) 22.852 5.665 ( 0.000 -4.344 22.436) 22.852 5.930 ( 0.000 16.468 -2.141) 16.607 5.930 ( 0.000 16.468 2.141) 16.607 6.289 ( 0.000 -0.039 -4.907) 4.907 6.289 ( 0.000 -0.039 4.907) 4.907 6.364 ( 0.000 3.511 -5.566) 6.581 6.364 ( 0.000 3.511 5.566) 6.581 6.636 ( 0.000 -22.738 -4.116) 23.108 6.636 ( 0.000 -22.738 4.116) 23.108 7.065 ( 0.000 -0.737 -0.514) 0.898 7.065 ( 0.000 -0.737 0.514) 0.898 7.668 ( 0.000 -2.382 -1.509) 2.820 7.668 ( 0.000 -2.382 1.509) 2.820 8.941 ( 0.000 6.160 -0.183) 6.163 8.941 ( 0.000 6.160 0.183) 6.163 9.388 ( 0.000 -0.775 -1.613) 1.789 9.388 ( 0.000 -0.775 1.613) 1.789 11.130 ( 0.000 6.850 -3.364) 7.632 11.130 ( 0.000 6.850 3.364) 7.632 12.125 ( 0.000 -4.848 -2.494) 5.452 12.125 ( 0.000 -4.848 2.494) 5.452 13.356 ( 0.000 0.514 -2.909) 2.954 13.356 ( 0.000 0.514 2.909) 2.954 13.532 ( 0.000 2.794 -1.298) 3.081 13.532 ( 0.000 2.794 1.298) 3.081 14.275 ( 0.000 1.073 -2.196) 2.444 14.275 ( 0.000 1.073 2.196) 2.444 14.740 ( 0.000 -1.582 -0.604) 1.693 14.740 ( 0.000 -1.582 0.604) 1.693 15.379 ( 0.000 11.344 -0.843) 11.376 15.379 ( 0.000 11.344 0.843) 11.376 15.621 ( 0.000 -13.753 -0.576) 13.765 15.621 ( 0.000 -13.753 0.576) 13.765 16.065 ( 0.000 0.260 -0.022) 0.261 16.065 ( 0.000 0.260 0.022) 0.261 16.746 ( 0.000 -0.868 -1.619) 1.837 16.746 ( 0.000 -0.868 1.619) 1.837 16.796 ( 0.000 -2.287 -3.320) 4.031 16.796 ( 0.000 -2.287 3.320) 4.031 16.866 ( 0.000 0.153 -0.763) 0.778 16.866 ( 0.000 0.153 0.763) 0.778 17.863 ( 0.000 6.647 -3.304) 7.423 17.863 ( 0.000 6.647 3.304) 7.423 17.979 ( 0.000 -5.426 -2.465) 5.960 17.979 ( 0.000 -5.426 2.465) 5.960 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -0.765 7.025 -8.805) 11.290 2.709 ( -0.765 7.025 8.805) 11.290 2.766 ( -11.328 0.808 -4.007) 12.044 2.766 ( -11.328 0.808 4.007) 12.044 3.196 ( 0.193 2.453 -5.223) 5.774 3.196 ( 0.193 2.453 5.223) 5.774 3.263 ( -5.899 -3.467 -4.005) 7.929 3.263 ( -5.899 -3.467 4.005) 7.929 3.585 ( 6.181 0.906 -1.443) 6.411 3.585 ( 6.181 0.906 1.443) 6.411 3.853 ( 1.080 -6.528 -5.916) 8.876 3.853 ( 1.080 -6.528 5.916) 8.876 5.502 ( -7.362 3.141 -19.983) 21.526 5.502 ( -7.362 3.141 19.983) 21.526 5.559 ( -10.131 -0.224 -16.646) 19.488 5.559 ( -10.131 -0.224 16.646) 19.488 5.885 ( -0.593 22.935 -5.097) 23.502 5.885 ( -0.593 22.935 5.097) 23.502 6.274 ( 1.705 -7.325 -8.537) 11.378 6.274 ( 1.705 -7.325 8.537) 11.378 6.463 ( 6.284 2.708 -8.651) 11.030 6.463 ( 6.284 2.708 8.651) 11.030 6.667 ( 1.882 -18.240 -2.417) 18.496 6.667 ( 1.882 -18.240 2.417) 18.496 7.054 ( -0.855 -1.117 -1.266) 1.893 7.054 ( -0.855 -1.117 1.266) 1.893 7.597 ( -6.829 -2.575 -1.505) 7.452 7.597 ( -6.829 -2.575 1.505) 7.452 8.989 ( 4.835 6.683 -0.495) 8.264 8.989 ( 4.835 6.683 0.495) 8.264 9.436 ( 4.591 -1.533 -1.528) 5.076 9.436 ( 4.591 -1.533 1.528) 5.076 11.156 ( 2.573 7.625 -3.523) 8.785 11.156 ( 2.573 7.625 3.523) 8.785 12.077 ( -4.736 -5.813 -2.495) 7.902 12.077 ( -4.736 -5.813 2.495) 7.902 13.322 ( -3.296 1.786 -7.083) 8.014 13.322 ( -3.296 1.786 7.083) 8.014 13.472 ( -4.717 1.691 -5.960) 7.787 13.472 ( -4.717 1.691 5.960) 7.787 14.365 ( 7.593 0.768 -2.022) 7.895 14.365 ( 7.593 0.768 2.022) 7.895 14.713 ( -2.319 -1.749 -0.637) 2.974 14.713 ( -2.319 -1.749 0.637) 2.974 15.415 ( 3.363 11.861 -0.744) 12.351 15.415 ( 3.363 11.861 0.744) 12.351 15.661 ( 3.883 -13.623 -0.525) 14.175 15.661 ( 3.883 -13.623 0.525) 14.175 16.129 ( 6.551 0.266 -0.424) 6.570 16.129 ( 6.551 0.266 0.424) 6.570 16.679 ( -5.613 -1.736 -1.171) 5.991 16.679 ( -5.613 -1.736 1.171) 5.991 16.784 ( -0.744 -0.326 -0.759) 1.112 16.784 ( -0.744 -0.326 0.759) 1.112 16.911 ( 2.827 -1.054 -1.872) 3.551 16.911 ( 2.827 -1.054 1.872) 3.551 17.862 ( -0.115 6.567 -3.054) 7.243 17.862 ( -0.115 6.567 3.054) 7.243 17.978 ( -0.198 -5.397 -2.279) 5.862 17.978 ( -0.198 -5.397 2.279) 5.862 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -9.822 1.455 -3.419) 10.501 2.530 ( -9.822 1.455 3.419) 10.501 2.736 ( 1.321 3.205 -4.276) 5.504 2.736 ( 1.321 3.205 4.276) 5.504 3.068 ( -10.584 0.510 -0.764) 10.624 3.068 ( -10.584 0.510 0.764) 10.624 3.189 ( -3.829 -2.484 -2.587) 5.247 3.189 ( -3.829 -2.484 2.587) 5.247 3.734 ( 8.868 2.776 -3.655) 9.985 3.734 ( 8.868 2.776 3.655) 9.985 3.890 ( 2.921 -6.190 -5.078) 8.522 3.890 ( 2.921 -6.190 5.078) 8.522 5.222 ( -18.364 0.574 -4.989) 19.039 5.222 ( -18.364 0.574 4.989) 19.039 5.319 ( -15.220 2.532 -5.622) 16.422 5.319 ( -15.220 2.532 5.622) 16.422 5.974 ( 8.239 26.459 -8.093) 28.870 5.974 ( 8.239 26.459 8.093) 28.870 6.341 ( 3.579 -5.954 -2.261) 7.306 6.341 ( 3.579 -5.954 2.261) 7.306 6.565 ( 4.189 -3.888 -7.904) 9.754 6.565 ( 4.189 -3.888 7.904) 9.754 6.674 ( -0.364 -12.809 -0.897) 12.846 6.674 ( -0.364 -12.809 0.897) 12.846 7.040 ( -0.915 -2.970 -2.196) 3.806 7.040 ( -0.915 -2.970 2.196) 3.806 7.440 ( -8.634 -3.030 -1.581) 9.285 7.440 ( -8.634 -3.030 1.581) 9.285 9.112 ( 7.601 8.214 -0.770) 11.218 9.112 ( 7.601 8.214 0.770) 11.218 9.538 ( 5.329 -3.724 -1.404) 6.651 9.538 ( 5.329 -3.724 1.404) 6.651 11.216 ( 3.311 10.184 -3.752) 11.347 11.216 ( 3.311 10.184 3.752) 11.347 11.958 ( -7.262 -8.715 -2.490) 11.614 11.958 ( -7.262 -8.715 2.490) 11.614 13.251 ( -3.433 5.716 -11.104) 12.952 13.251 ( -3.433 5.716 11.104) 12.952 13.396 ( -2.930 -2.153 -10.489) 11.102 13.396 ( -2.930 -2.153 10.489) 11.102 14.500 ( 5.455 1.612 -2.333) 6.148 14.500 ( 5.455 1.612 2.333) 6.148 14.674 ( -1.378 -3.246 -1.580) 3.864 14.674 ( -1.378 -3.246 1.580) 3.864 15.490 ( 4.072 12.550 -1.016) 13.233 15.490 ( 4.072 12.550 1.016) 13.233 15.758 ( 6.030 -13.274 -1.168) 14.626 15.758 ( 6.030 -13.274 1.168) 14.626 16.297 ( 10.040 0.881 -1.271) 10.159 16.297 ( 10.040 0.881 1.271) 10.159 16.569 ( -5.235 -2.422 -1.154) 5.882 16.569 ( -5.235 -2.422 1.154) 5.882 16.765 ( -1.154 0.357 -0.728) 1.411 16.765 ( -1.154 0.357 0.728) 1.411 16.950 ( 1.127 -1.609 -2.184) 2.938 16.950 ( 1.127 -1.609 2.184) 2.938 17.857 ( -0.369 6.418 -2.414) 6.867 17.857 ( -0.369 6.418 2.414) 6.867 17.971 ( -0.475 -5.379 -1.797) 5.691 17.971 ( -0.475 -5.379 1.797) 5.691 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -1.975 0.926 -3.339) 3.988 2.413 ( -1.975 0.926 3.339) 3.988 2.766 ( 0.432 -0.415 -1.528) 1.641 2.766 ( 0.432 -0.415 1.528) 1.641 2.859 ( -9.237 0.163 -2.115) 9.478 2.859 ( -9.237 0.163 2.115) 9.478 3.095 ( -5.807 -1.571 -1.872) 6.300 3.095 ( -5.807 -1.571 1.872) 6.300 3.899 ( 7.534 3.280 -2.898) 8.713 3.899 ( 7.534 3.280 2.898) 8.713 3.974 ( 6.115 -4.657 -3.177) 8.317 3.974 ( 6.115 -4.657 3.177) 8.317 4.878 ( -16.204 0.547 -3.359) 16.558 4.878 ( -16.204 0.547 3.359) 16.558 5.015 ( -15.608 2.738 -3.911) 16.322 5.015 ( -15.608 2.738 3.911) 16.322 6.134 ( 7.268 24.560 -6.568) 26.442 6.134 ( 7.268 24.560 6.568) 26.442 6.368 ( -0.604 3.020 -1.839) 3.587 6.368 ( -0.604 3.020 1.839) 3.587 6.571 ( -1.674 -1.640 -4.994) 5.516 6.571 ( -1.674 -1.640 4.994) 5.516 6.735 ( 4.639 -20.116 -3.777) 20.987 6.735 ( 4.639 -20.116 3.777) 20.987 7.012 ( -1.017 -1.692 -0.999) 2.212 7.012 ( -1.017 -1.692 0.999) 2.212 7.297 ( -6.127 -5.347 -1.952) 8.363 7.297 ( -6.127 -5.347 1.952) 8.363 9.259 ( 7.185 11.162 -0.840) 13.301 9.259 ( 7.185 11.162 0.840) 13.301 9.620 ( 3.030 -7.502 -1.215) 8.182 9.620 ( 3.030 -7.502 1.215) 8.182 11.273 ( 2.556 14.962 -3.372) 15.549 11.273 ( 2.556 14.962 3.372) 15.549 11.821 ( -6.580 -13.628 -2.272) 15.303 11.821 ( -6.580 -13.628 2.272) 15.303 13.207 ( -1.118 8.509 -8.641) 12.179 13.207 ( -1.118 8.509 8.641) 12.179 13.359 ( -1.135 -4.750 -8.207) 9.550 13.359 ( -1.135 -4.750 8.207) 9.550 14.562 ( 1.561 3.329 -3.133) 4.830 14.562 ( 1.561 3.329 3.133) 4.830 14.664 ( 0.054 -5.521 -2.614) 6.109 14.664 ( 0.054 -5.521 2.614) 6.109 15.562 ( 3.396 13.025 -0.993) 13.497 15.562 ( 3.396 13.025 0.993) 13.497 15.870 ( 4.776 -13.733 -1.434) 14.610 15.870 ( 4.776 -13.733 1.434) 14.610 16.444 ( 2.655 4.014 -3.175) 5.765 16.444 ( 2.655 4.014 3.175) 5.765 16.528 ( 2.751 -4.546 -2.142) 5.729 16.528 ( 2.751 -4.546 2.142) 5.729 16.750 ( 0.281 0.382 -0.654) 0.808 16.750 ( 0.281 0.382 0.654) 0.808 16.950 ( -1.168 -1.788 -2.099) 2.994 16.950 ( -1.168 -1.788 2.099) 2.994 17.849 ( -0.511 6.303 -1.560) 6.513 17.849 ( -0.511 6.303 1.560) 6.513 17.961 ( -0.575 -5.427 -1.148) 5.577 17.961 ( -0.575 -5.427 1.148) 5.577 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 5.383 0.868 -1.963) 5.795 2.451 ( 5.383 0.868 1.963) 5.795 2.620 ( -9.746 -1.331 -0.958) 9.883 2.620 ( -9.746 -1.331 0.958) 9.883 2.869 ( 4.870 -1.146 -1.661) 5.272 2.869 ( 4.870 -1.146 1.661) 5.272 2.978 ( -6.155 -1.505 -1.201) 6.449 2.978 ( -6.155 -1.505 1.201) 6.449 4.014 ( 4.601 2.112 -0.446) 5.082 4.014 ( 4.601 2.112 0.446) 5.082 4.080 ( 2.739 -1.803 -0.594) 3.333 4.080 ( 2.739 -1.803 0.594) 3.333 4.670 ( -3.585 0.714 -1.167) 3.837 4.670 ( -3.585 0.714 1.167) 3.837 4.755 ( -10.658 1.865 -1.810) 10.970 4.755 ( -10.658 1.865 1.810) 10.970 6.227 ( 2.655 20.386 -2.965) 20.770 6.227 ( 2.655 20.386 2.965) 20.770 6.329 ( -2.662 8.279 -1.952) 8.912 6.329 ( -2.662 8.279 1.952) 8.912 6.601 ( 4.836 -4.782 -2.495) 7.244 6.601 ( 4.836 -4.782 2.495) 7.244 6.728 ( -4.805 -8.207 -2.173) 9.755 6.728 ( -4.805 -8.207 2.173) 9.755 7.066 ( 6.099 -7.467 -1.714) 9.792 7.066 ( 6.099 -7.467 1.714) 9.792 7.188 ( -5.890 -8.444 -1.404) 10.390 7.188 ( -5.890 -8.444 1.404) 10.390 9.364 ( 3.184 15.241 -0.439) 15.576 9.364 ( 3.184 15.241 0.439) 15.576 9.653 ( 0.598 -12.181 -0.572) 12.209 9.653 ( 0.598 -12.181 0.572) 12.209 11.309 ( 1.069 20.647 -1.514) 20.730 11.309 ( 1.069 20.647 1.514) 20.730 11.726 ( -2.778 -19.251 -1.081) 19.481 11.726 ( -2.778 -19.251 1.081) 19.481 13.199 ( 0.001 9.509 -3.216) 10.038 13.199 ( 0.001 9.509 3.216) 10.038 13.346 ( -0.268 -5.423 -3.003) 6.204 13.346 ( -0.268 -5.423 3.003) 6.204 14.579 ( 0.442 2.765 -1.294) 3.084 14.579 ( 0.442 2.765 1.294) 3.084 14.664 ( -0.100 -5.461 -1.123) 5.576 14.664 ( -0.100 -5.461 1.123) 5.576 15.613 ( 1.673 14.836 -0.460) 14.937 15.613 ( 1.673 14.836 0.460) 14.937 15.920 ( 0.785 -16.028 -0.670) 16.061 15.920 ( 0.785 -16.028 0.670) 16.061 16.479 ( 2.503 2.805 -1.601) 4.086 16.479 ( 2.503 2.805 1.602) 4.086 16.555 ( -1.354 -1.324 -1.103) 2.192 16.555 ( -1.354 -1.324 1.103) 2.192 16.807 ( 4.909 -0.505 -0.991) 5.033 16.807 ( 4.909 -0.505 0.991) 5.033 16.904 ( -3.595 -1.956 -1.655) 4.415 16.904 ( -3.595 -1.956 1.655) 4.415 17.841 ( -0.250 6.231 -0.547) 6.260 17.841 ( -0.250 6.231 0.547) 6.260 17.952 ( -0.265 -5.479 -0.397) 5.500 17.952 ( -0.265 -5.479 0.397) 5.500 =================== 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 3/37800 10.0 1402.322 1197.848 859.671 0.000 0.000 -0.000 3/37800 20.0 559.149 440.342 480.157 0.000 0.000 -0.000 3/37800 30.0 275.596 204.204 214.643 0.000 0.000 -0.000 3/37800 40.0 165.492 118.136 124.164 0.000 0.000 -0.000 3/37800 50.0 110.723 78.221 82.475 0.000 0.000 -0.000 3/37800 60.0 79.977 56.518 59.709 0.000 0.000 -0.000 3/37800 70.0 61.283 43.524 45.986 0.000 0.000 -0.000 3/37800 80.0 49.123 35.149 37.064 0.000 0.000 -0.000 3/37800 90.0 40.736 29.410 30.893 0.000 0.000 -0.000 3/37800 100.0 34.662 25.272 26.405 0.000 0.000 -0.000 3/37800 110.0 30.088 22.164 23.011 0.000 0.000 -0.000 3/37800 120.0 26.534 19.749 20.363 0.000 0.000 -0.000 3/37800 130.0 23.701 17.823 18.244 0.000 0.000 -0.000 3/37800 140.0 21.398 16.250 16.514 0.000 0.000 -0.000 3/37800 150.0 19.492 14.943 15.079 0.000 0.000 -0.000 3/37800 160.0 17.893 13.840 13.870 0.000 0.000 -0.000 3/37800 170.0 16.534 12.895 12.840 0.000 0.000 -0.000 3/37800 180.0 15.367 12.078 11.952 0.000 0.000 -0.000 3/37800 190.0 14.354 11.363 11.180 0.000 0.000 -0.000 3/37800 200.0 13.468 10.732 10.503 0.000 0.000 -0.000 3/37800 210.0 12.686 10.172 9.905 0.000 0.000 -0.000 3/37800 220.0 11.992 9.670 9.372 0.000 0.000 -0.000 3/37800 230.0 11.371 9.218 8.895 0.000 0.000 -0.000 3/37800 240.0 10.813 8.808 8.465 0.000 0.000 -0.000 3/37800 250.0 10.309 8.435 8.076 0.000 0.000 -0.000 3/37800 260.0 9.850 8.093 7.722 0.000 0.000 -0.000 3/37800 270.0 9.433 7.780 7.399 0.000 0.000 -0.000 3/37800 280.0 9.050 7.490 7.103 0.000 0.000 -0.000 3/37800 290.0 8.698 7.223 6.830 0.000 0.000 -0.000 3/37800 300.0 8.373 6.974 6.578 0.000 0.000 -0.000 3/37800 310.0 8.072 6.743 6.344 0.000 0.000 -0.000 3/37800 320.0 7.793 6.527 6.127 0.000 0.000 -0.000 3/37800 330.0 7.533 6.325 5.925 0.000 0.000 -0.000 3/37800 340.0 7.291 6.135 5.736 0.000 0.000 -0.000 3/37800 350.0 7.064 5.957 5.559 0.000 0.000 -0.000 3/37800 360.0 6.851 5.789 5.393 0.000 0.000 -0.000 3/37800 370.0 6.651 5.630 5.237 0.000 0.000 -0.000 3/37800 380.0 6.462 5.480 5.090 0.000 0.000 -0.000 3/37800 390.0 6.285 5.338 4.951 0.000 0.000 -0.000 3/37800 400.0 6.117 5.204 4.820 0.000 0.000 -0.000 3/37800 410.0 5.958 5.076 4.695 0.000 0.000 -0.000 3/37800 420.0 5.807 4.954 4.577 0.000 0.000 -0.000 3/37800 430.0 5.664 4.838 4.465 0.000 0.000 -0.000 3/37800 440.0 5.528 4.728 4.359 0.000 0.000 -0.000 3/37800 450.0 5.398 4.622 4.257 0.000 0.000 -0.000 3/37800 460.0 5.275 4.522 4.161 0.000 0.000 -0.000 3/37800 470.0 5.157 4.425 4.068 0.000 0.000 -0.000 3/37800 480.0 5.045 4.333 3.980 0.000 0.000 -0.000 3/37800 490.0 4.937 4.244 3.896 0.000 0.000 -0.000 3/37800 500.0 4.834 4.159 3.815 0.000 0.000 -0.000 3/37800 510.0 4.735 4.078 3.737 0.000 0.000 -0.000 3/37800 520.0 4.641 3.999 3.663 0.000 0.000 -0.000 3/37800 530.0 4.550 3.924 3.591 0.000 0.000 -0.000 3/37800 540.0 4.462 3.851 3.523 0.000 0.000 -0.000 3/37800 550.0 4.378 3.781 3.457 0.000 0.000 -0.000 3/37800 560.0 4.298 3.714 3.393 0.000 0.000 -0.000 3/37800 570.0 4.220 3.649 3.332 0.000 0.000 -0.000 3/37800 580.0 4.145 3.586 3.273 0.000 0.000 -0.000 3/37800 590.0 4.072 3.525 3.216 0.000 0.000 -0.000 3/37800 600.0 4.002 3.467 3.161 0.000 0.000 -0.000 3/37800 610.0 3.935 3.410 3.108 0.000 0.000 -0.000 3/37800 620.0 3.870 3.355 3.057 0.000 0.000 -0.000 3/37800 630.0 3.807 3.302 3.007 0.000 0.000 -0.000 3/37800 640.0 3.746 3.250 2.959 0.000 0.000 -0.000 3/37800 650.0 3.687 3.201 2.913 0.000 0.000 -0.000 3/37800 660.0 3.630 3.152 2.868 0.000 0.000 -0.000 3/37800 670.0 3.574 3.105 2.824 0.000 0.000 -0.000 3/37800 680.0 3.520 3.060 2.782 0.000 0.000 -0.000 3/37800 690.0 3.468 3.016 2.741 0.000 0.000 -0.000 3/37800 700.0 3.418 2.973 2.701 0.000 0.000 -0.000 3/37800 710.0 3.369 2.931 2.662 0.000 0.000 -0.000 3/37800 720.0 3.321 2.890 2.624 0.000 0.000 -0.000 3/37800 730.0 3.275 2.851 2.588 0.000 0.000 -0.000 3/37800 740.0 3.230 2.813 2.552 0.000 0.000 -0.000 3/37800 750.0 3.186 2.775 2.518 0.000 0.000 -0.000 3/37800 760.0 3.143 2.739 2.484 0.000 0.000 -0.000 3/37800 770.0 3.102 2.703 2.452 0.000 0.000 -0.000 3/37800 780.0 3.061 2.669 2.420 0.000 0.000 -0.000 3/37800 790.0 3.022 2.635 2.389 0.000 0.000 -0.000 3/37800 800.0 2.984 2.602 2.358 0.000 0.000 -0.000 3/37800 810.0 2.946 2.570 2.329 0.000 0.000 -0.000 3/37800 820.0 2.910 2.539 2.300 0.000 0.000 -0.000 3/37800 830.0 2.874 2.509 2.272 0.000 0.000 -0.000 3/37800 840.0 2.839 2.479 2.245 0.000 0.000 -0.000 3/37800 850.0 2.806 2.450 2.218 0.000 0.000 -0.000 3/37800 860.0 2.773 2.421 2.192 0.000 0.000 -0.000 3/37800 870.0 2.740 2.394 2.167 0.000 0.000 -0.000 3/37800 880.0 2.709 2.367 2.142 0.000 0.000 -0.000 3/37800 890.0 2.678 2.340 2.117 0.000 0.000 -0.000 3/37800 900.0 2.648 2.314 2.094 0.000 0.000 -0.000 3/37800 910.0 2.618 2.289 2.070 0.000 0.000 -0.000 3/37800 920.0 2.590 2.264 2.048 0.000 0.000 -0.000 3/37800 930.0 2.562 2.240 2.025 0.000 0.000 -0.000 3/37800 940.0 2.534 2.216 2.004 0.000 0.000 -0.000 3/37800 950.0 2.507 2.193 1.982 0.000 0.000 -0.000 3/37800 960.0 2.481 2.170 1.962 0.000 0.000 -0.000 3/37800 970.0 2.455 2.148 1.941 0.000 0.000 -0.000 3/37800 980.0 2.430 2.126 1.921 0.000 0.000 -0.000 3/37800 990.0 2.405 2.105 1.902 0.000 0.000 -0.000 3/37800 1000.0 2.381 2.084 1.883 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:31:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|