----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:46:19]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.544522025000000 2.544522025000000 5.808522185000000 b 2.544522025000000 -2.544522025000000 5.808522185000000 c 2.544522025000000 2.544522025000000 -5.808522185000000 Atomic positions (fractional): *1 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 *3 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 4 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 *5 O 0.02915826370446 0.91770141616259 0.60356141366942 15.999 6 O 0.72084173629554 0.33229858383741 0.89643858633058 15.999 7 O 0.08229858383741 0.68585999750683 0.11145684754187 15.999 8 O 0.31414000249316 0.42559685003504 0.39643858633058 15.999 9 O 0.17559685003504 0.27915826370446 0.61145684754187 15.999 10 O 0.57440314996496 0.97084173629554 0.88854315245813 15.999 11 O 0.43585999750684 0.82440314996496 0.10356141366942 15.999 12 O 0.66770141616259 0.56414000249316 0.38854315245813 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.089044050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.089044050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.617044370000000 Atomic positions (fractional): *1 Bi 0.00000000000000 0.50000000000000 0.25000000000000 208.980 > 1 2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 2 3 Bi 0.50000000000000 0.00000000000000 0.75000000000000 208.980 > 1 4 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 2 *5 As 0.50000000000000 0.00000000000000 0.25000000000000 74.922 > 3 6 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 4 7 As 0.00000000000000 0.50000000000000 0.75000000000000 74.922 > 3 8 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 4 *9 O 0.74605228306377 0.85750913060565 0.17164913309881 15.999 > 5 10 O 0.25394771693623 0.64249086939435 0.07835086690119 15.999 > 6 11 O 0.35750913060565 0.75394771693623 0.32835086690119 15.999 > 7 12 O 0.25394771693623 0.14249086939435 0.17164913309881 15.999 > 8 13 O 0.85750913060565 0.75394771693623 0.42164913309881 15.999 > 9 14 O 0.64249086939435 0.24605228306377 0.32835086690119 15.999 > 10 15 O 0.74605228306377 0.35750913060565 0.07835086690119 15.999 > 11 16 O 0.14249086939435 0.24605228306377 0.42164913309881 15.999 > 12 17 O 0.24605228306377 0.35750913060565 0.67164913309881 15.999 > 5 18 O 0.75394771693623 0.14249086939435 0.57835086690119 15.999 > 6 19 O 0.85750913060565 0.25394771693623 0.82835086690119 15.999 > 7 20 O 0.75394771693623 0.64249086939435 0.67164913309881 15.999 > 8 21 O 0.35750913060565 0.25394771693623 0.92164913309881 15.999 > 9 22 O 0.14249086939435 0.74605228306377 0.82835086690119 15.999 > 10 23 O 0.24605228306377 0.85750913060565 0.57835086690119 15.999 > 11 24 O 0.64249086939435 0.74605228306377 0.92164913309881 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.178088100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.178088100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.617044370000000 Atomic positions (fractional): *1 Bi 0.00000000000000 0.25000000000000 0.25000000000000 208.980 > 1 2 Bi 0.50000000000000 0.25000000000000 0.25000000000000 208.980 > 1 3 Bi 0.00000000000000 0.75000000000000 0.25000000000000 208.980 > 1 4 Bi 0.50000000000000 0.75000000000000 0.25000000000000 208.980 > 1 5 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 2 6 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 2 7 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 2 8 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 2 9 Bi 0.25000000000000 0.00000000000000 0.75000000000000 208.980 > 1 10 Bi 0.75000000000000 0.00000000000000 0.75000000000000 208.980 > 1 11 Bi 0.25000000000000 0.50000000000000 0.75000000000000 208.980 > 1 12 Bi 0.75000000000000 0.50000000000000 0.75000000000000 208.980 > 1 13 Bi 0.25000000000000 0.25000000000000 0.50000000000000 208.980 > 2 14 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 > 2 15 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 > 2 16 Bi 0.75000000000000 0.75000000000000 0.50000000000000 208.980 > 2 *17 As 0.25000000000000 0.00000000000000 0.25000000000000 74.922 > 3 18 As 0.75000000000000 0.00000000000000 0.25000000000000 74.922 > 3 19 As 0.25000000000000 0.50000000000000 0.25000000000000 74.922 > 3 20 As 0.75000000000000 0.50000000000000 0.25000000000000 74.922 > 3 21 As 0.25000000000000 0.25000000000000 0.00000000000000 74.922 > 4 22 As 0.75000000000000 0.25000000000000 0.00000000000000 74.922 > 4 23 As 0.25000000000000 0.75000000000000 0.00000000000000 74.922 > 4 24 As 0.75000000000000 0.75000000000000 0.00000000000000 74.922 > 4 25 As 0.00000000000000 0.25000000000000 0.75000000000000 74.922 > 3 26 As 0.50000000000000 0.25000000000000 0.75000000000000 74.922 > 3 27 As 0.00000000000000 0.75000000000000 0.75000000000000 74.922 > 3 28 As 0.50000000000000 0.75000000000000 0.75000000000000 74.922 > 3 29 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 4 30 As 0.50000000000000 0.00000000000000 0.50000000000000 74.922 > 4 31 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 > 4 32 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 4 *33 O 0.37302614153189 0.42875456530282 0.17164913309881 15.999 > 5 34 O 0.87302614153189 0.42875456530282 0.17164913309881 15.999 > 5 35 O 0.37302614153189 0.92875456530282 0.17164913309881 15.999 > 5 36 O 0.87302614153189 0.92875456530282 0.17164913309881 15.999 > 5 37 O 0.12697385846811 0.32124543469718 0.07835086690119 15.999 > 6 38 O 0.62697385846811 0.32124543469718 0.07835086690119 15.999 > 6 39 O 0.12697385846811 0.82124543469718 0.07835086690119 15.999 > 6 40 O 0.62697385846811 0.82124543469718 0.07835086690119 15.999 > 6 41 O 0.17875456530282 0.37697385846811 0.32835086690119 15.999 > 7 42 O 0.67875456530282 0.37697385846811 0.32835086690119 15.999 > 7 43 O 0.17875456530282 0.87697385846811 0.32835086690119 15.999 > 7 44 O 0.67875456530282 0.87697385846811 0.32835086690119 15.999 > 7 45 O 0.12697385846811 0.07124543469718 0.17164913309881 15.999 > 8 46 O 0.62697385846811 0.07124543469718 0.17164913309881 15.999 > 8 47 O 0.12697385846811 0.57124543469718 0.17164913309881 15.999 > 8 48 O 0.62697385846811 0.57124543469718 0.17164913309881 15.999 > 8 49 O 0.42875456530282 0.37697385846811 0.42164913309881 15.999 > 9 50 O 0.92875456530282 0.37697385846811 0.42164913309881 15.999 > 9 51 O 0.42875456530282 0.87697385846811 0.42164913309881 15.999 > 9 52 O 0.92875456530282 0.87697385846811 0.42164913309881 15.999 > 9 53 O 0.32124543469718 0.12302614153189 0.32835086690119 15.999 > 10 54 O 0.82124543469718 0.12302614153189 0.32835086690119 15.999 > 10 55 O 0.32124543469718 0.62302614153189 0.32835086690119 15.999 > 10 56 O 0.82124543469718 0.62302614153189 0.32835086690119 15.999 > 10 57 O 0.37302614153189 0.17875456530282 0.07835086690119 15.999 > 11 58 O 0.87302614153189 0.17875456530282 0.07835086690119 15.999 > 11 59 O 0.37302614153189 0.67875456530282 0.07835086690119 15.999 > 11 60 O 0.87302614153189 0.67875456530282 0.07835086690119 15.999 > 11 61 O 0.07124543469718 0.12302614153189 0.42164913309881 15.999 > 12 62 O 0.57124543469718 0.12302614153189 0.42164913309881 15.999 > 12 63 O 0.07124543469718 0.62302614153189 0.42164913309881 15.999 > 12 64 O 0.57124543469718 0.62302614153189 0.42164913309881 15.999 > 12 65 O 0.12302614153189 0.17875456530282 0.67164913309881 15.999 > 5 66 O 0.62302614153189 0.17875456530282 0.67164913309881 15.999 > 5 67 O 0.12302614153189 0.67875456530282 0.67164913309881 15.999 > 5 68 O 0.62302614153189 0.67875456530282 0.67164913309881 15.999 > 5 69 O 0.37697385846811 0.07124543469718 0.57835086690119 15.999 > 6 70 O 0.87697385846811 0.07124543469718 0.57835086690119 15.999 > 6 71 O 0.37697385846811 0.57124543469718 0.57835086690119 15.999 > 6 72 O 0.87697385846811 0.57124543469718 0.57835086690119 15.999 > 6 73 O 0.42875456530282 0.12697385846811 0.82835086690119 15.999 > 7 74 O 0.92875456530282 0.12697385846811 0.82835086690119 15.999 > 7 75 O 0.42875456530282 0.62697385846811 0.82835086690119 15.999 > 7 76 O 0.92875456530282 0.62697385846811 0.82835086690119 15.999 > 7 77 O 0.37697385846811 0.32124543469718 0.67164913309881 15.999 > 8 78 O 0.87697385846811 0.32124543469718 0.67164913309881 15.999 > 8 79 O 0.37697385846811 0.82124543469718 0.67164913309881 15.999 > 8 80 O 0.87697385846811 0.82124543469718 0.67164913309881 15.999 > 8 81 O 0.17875456530282 0.12697385846811 0.92164913309881 15.999 > 9 82 O 0.67875456530282 0.12697385846811 0.92164913309881 15.999 > 9 83 O 0.17875456530282 0.62697385846811 0.92164913309881 15.999 > 9 84 O 0.67875456530282 0.62697385846811 0.92164913309881 15.999 > 9 85 O 0.07124543469718 0.37302614153189 0.82835086690119 15.999 > 10 86 O 0.57124543469718 0.37302614153189 0.82835086690119 15.999 > 10 87 O 0.07124543469718 0.87302614153189 0.82835086690119 15.999 > 10 88 O 0.57124543469718 0.87302614153189 0.82835086690119 15.999 > 10 89 O 0.12302614153189 0.42875456530282 0.57835086690119 15.999 > 11 90 O 0.62302614153189 0.42875456530282 0.57835086690119 15.999 > 11 91 O 0.12302614153189 0.92875456530282 0.57835086690119 15.999 > 11 92 O 0.62302614153189 0.92875456530282 0.57835086690119 15.999 > 11 93 O 0.32124543469718 0.37302614153189 0.92164913309881 15.999 > 12 94 O 0.82124543469718 0.37302614153189 0.92164913309881 15.999 > 12 95 O 0.32124543469718 0.87302614153189 0.92164913309881 15.999 > 12 96 O 0.82124543469718 0.87302614153189 0.92164913309881 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5289992 -0.0000013 0.0000000 0.0000013 5.5289992 0.0000000 0.0000000 0.0000000 5.3828477 -------------------------- Born effective charges -------------------------- 1 Bi 5.1303932 0.0367703 0.0000000 -0.0367703 5.1303932 0.0000000 -0.0000000 0.0000000 5.4478577 2 Bi 5.1303932 0.0367703 0.0000000 -0.0367703 5.1303932 0.0000000 -0.0000000 0.0000000 5.4478577 3 As 4.6637462 -0.0726848 0.0000000 0.0726848 4.6637462 0.0000000 -0.0000000 0.0000000 3.6081479 4 As 4.6637462 -0.0726848 0.0000000 0.0726848 4.6637462 0.0000000 -0.0000000 0.0000000 3.6081479 5 O -2.5916388 0.9029860 0.7022059 0.8850287 -2.3054309 0.1213718 0.7447946 -0.0744367 -2.2640014 6 O -2.5916388 0.9029860 0.7022059 0.8850287 -2.3054309 0.1213718 0.7447946 -0.0744367 -2.2640014 7 O -2.3054309 -0.8850287 -0.1213718 -0.9029860 -2.5916388 0.7022059 0.0744367 0.7447946 -2.2640014 8 O -2.5916388 0.9029860 -0.7022059 0.8850287 -2.3054309 -0.1213718 -0.7447946 0.0744367 -2.2640014 9 O -2.3054309 -0.8850287 0.1213718 -0.9029860 -2.5916388 -0.7022059 -0.0744367 -0.7447946 -2.2640014 10 O -2.3054309 -0.8850287 0.1213718 -0.9029860 -2.5916388 -0.7022059 -0.0744367 -0.7447946 -2.2640014 11 O -2.5916388 0.9029860 -0.7022059 0.8850287 -2.3054309 -0.1213718 -0.7447946 0.0744367 -2.2640014 12 O -2.3054309 -0.8850287 -0.1213718 -0.9029860 -2.5916388 0.7022059 0.0744367 0.7447946 -2.2640014 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.566 Solver_block: 200 / 240 - Time: 0.569 Solver_block: 240 / 240 - Time: 0.300 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.458 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:46:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:46:30]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.544522025000000 2.544522025000000 5.808522185000000 b 2.544522025000000 -2.544522025000000 5.808522185000000 c 2.544522025000000 2.544522025000000 -5.808522185000000 Atomic positions (fractional): 1 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 3 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 4 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 5 O 0.02915826370446 0.91770141616259 0.60356141366942 15.999 6 O 0.72084173629554 0.33229858383741 0.89643858633058 15.999 7 O 0.08229858383741 0.68585999750683 0.11145684754187 15.999 8 O 0.31414000249316 0.42559685003504 0.39643858633058 15.999 9 O 0.17559685003504 0.27915826370446 0.61145684754187 15.999 10 O 0.57440314996496 0.97084173629554 0.88854315245813 15.999 11 O 0.43585999750684 0.82440314996496 0.10356141366942 15.999 12 O 0.66770141616259 0.56414000249316 0.38854315245813 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.178088100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.178088100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.617044370000000 Atomic positions (fractional): 1 Bi 0.00000000000000 0.25000000000000 0.25000000000000 208.980 > 1 2 Bi 0.50000000000000 0.25000000000000 0.25000000000000 208.980 > 1 3 Bi 0.00000000000000 0.75000000000000 0.25000000000000 208.980 > 1 4 Bi 0.50000000000000 0.75000000000000 0.25000000000000 208.980 > 1 5 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 5 6 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 5 7 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 5 8 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 5 9 Bi 0.25000000000000 0.00000000000000 0.75000000000000 208.980 > 1 10 Bi 0.75000000000000 0.00000000000000 0.75000000000000 208.980 > 1 11 Bi 0.25000000000000 0.50000000000000 0.75000000000000 208.980 > 1 12 Bi 0.75000000000000 0.50000000000000 0.75000000000000 208.980 > 1 13 Bi 0.25000000000000 0.25000000000000 0.50000000000000 208.980 > 5 14 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 > 5 15 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 > 5 16 Bi 0.75000000000000 0.75000000000000 0.50000000000000 208.980 > 5 17 As 0.25000000000000 0.00000000000000 0.25000000000000 74.922 > 17 18 As 0.75000000000000 0.00000000000000 0.25000000000000 74.922 > 17 19 As 0.25000000000000 0.50000000000000 0.25000000000000 74.922 > 17 20 As 0.75000000000000 0.50000000000000 0.25000000000000 74.922 > 17 21 As 0.25000000000000 0.25000000000000 0.00000000000000 74.922 > 21 22 As 0.75000000000000 0.25000000000000 0.00000000000000 74.922 > 21 23 As 0.25000000000000 0.75000000000000 0.00000000000000 74.922 > 21 24 As 0.75000000000000 0.75000000000000 0.00000000000000 74.922 > 21 25 As 0.00000000000000 0.25000000000000 0.75000000000000 74.922 > 17 26 As 0.50000000000000 0.25000000000000 0.75000000000000 74.922 > 17 27 As 0.00000000000000 0.75000000000000 0.75000000000000 74.922 > 17 28 As 0.50000000000000 0.75000000000000 0.75000000000000 74.922 > 17 29 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 21 30 As 0.50000000000000 0.00000000000000 0.50000000000000 74.922 > 21 31 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 > 21 32 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 21 33 O 0.37302614153189 0.42875456530282 0.17164913309881 15.999 > 33 34 O 0.87302614153189 0.42875456530282 0.17164913309881 15.999 > 33 35 O 0.37302614153189 0.92875456530282 0.17164913309881 15.999 > 33 36 O 0.87302614153189 0.92875456530282 0.17164913309881 15.999 > 33 37 O 0.12697385846811 0.32124543469718 0.07835086690119 15.999 > 37 38 O 0.62697385846811 0.32124543469718 0.07835086690119 15.999 > 37 39 O 0.12697385846811 0.82124543469718 0.07835086690119 15.999 > 37 40 O 0.62697385846811 0.82124543469718 0.07835086690119 15.999 > 37 41 O 0.17875456530282 0.37697385846811 0.32835086690119 15.999 > 41 42 O 0.67875456530282 0.37697385846811 0.32835086690119 15.999 > 41 43 O 0.17875456530282 0.87697385846811 0.32835086690119 15.999 > 41 44 O 0.67875456530282 0.87697385846811 0.32835086690119 15.999 > 41 45 O 0.12697385846811 0.07124543469718 0.17164913309881 15.999 > 45 46 O 0.62697385846811 0.07124543469718 0.17164913309881 15.999 > 45 47 O 0.12697385846811 0.57124543469718 0.17164913309881 15.999 > 45 48 O 0.62697385846811 0.57124543469718 0.17164913309881 15.999 > 45 49 O 0.42875456530282 0.37697385846811 0.42164913309881 15.999 > 49 50 O 0.92875456530282 0.37697385846811 0.42164913309881 15.999 > 49 51 O 0.42875456530282 0.87697385846811 0.42164913309881 15.999 > 49 52 O 0.92875456530282 0.87697385846811 0.42164913309881 15.999 > 49 53 O 0.32124543469718 0.12302614153189 0.32835086690119 15.999 > 53 54 O 0.82124543469718 0.12302614153189 0.32835086690119 15.999 > 53 55 O 0.32124543469718 0.62302614153189 0.32835086690119 15.999 > 53 56 O 0.82124543469718 0.62302614153189 0.32835086690119 15.999 > 53 57 O 0.37302614153189 0.17875456530282 0.07835086690119 15.999 > 57 58 O 0.87302614153189 0.17875456530282 0.07835086690119 15.999 > 57 59 O 0.37302614153189 0.67875456530282 0.07835086690119 15.999 > 57 60 O 0.87302614153189 0.67875456530282 0.07835086690119 15.999 > 57 61 O 0.07124543469718 0.12302614153189 0.42164913309881 15.999 > 61 62 O 0.57124543469718 0.12302614153189 0.42164913309881 15.999 > 61 63 O 0.07124543469718 0.62302614153189 0.42164913309881 15.999 > 61 64 O 0.57124543469718 0.62302614153189 0.42164913309881 15.999 > 61 65 O 0.12302614153189 0.17875456530282 0.67164913309881 15.999 > 33 66 O 0.62302614153189 0.17875456530282 0.67164913309881 15.999 > 33 67 O 0.12302614153189 0.67875456530282 0.67164913309881 15.999 > 33 68 O 0.62302614153189 0.67875456530282 0.67164913309881 15.999 > 33 69 O 0.37697385846811 0.07124543469718 0.57835086690119 15.999 > 37 70 O 0.87697385846811 0.07124543469718 0.57835086690119 15.999 > 37 71 O 0.37697385846811 0.57124543469718 0.57835086690119 15.999 > 37 72 O 0.87697385846811 0.57124543469718 0.57835086690119 15.999 > 37 73 O 0.42875456530282 0.12697385846811 0.82835086690119 15.999 > 41 74 O 0.92875456530282 0.12697385846811 0.82835086690119 15.999 > 41 75 O 0.42875456530282 0.62697385846811 0.82835086690119 15.999 > 41 76 O 0.92875456530282 0.62697385846811 0.82835086690119 15.999 > 41 77 O 0.37697385846811 0.32124543469718 0.67164913309881 15.999 > 45 78 O 0.87697385846811 0.32124543469718 0.67164913309881 15.999 > 45 79 O 0.37697385846811 0.82124543469718 0.67164913309881 15.999 > 45 80 O 0.87697385846811 0.82124543469718 0.67164913309881 15.999 > 45 81 O 0.17875456530282 0.12697385846811 0.92164913309881 15.999 > 49 82 O 0.67875456530282 0.12697385846811 0.92164913309881 15.999 > 49 83 O 0.17875456530282 0.62697385846811 0.92164913309881 15.999 > 49 84 O 0.67875456530282 0.62697385846811 0.92164913309881 15.999 > 49 85 O 0.07124543469718 0.37302614153189 0.82835086690119 15.999 > 53 86 O 0.57124543469718 0.37302614153189 0.82835086690119 15.999 > 53 87 O 0.07124543469718 0.87302614153189 0.82835086690119 15.999 > 53 88 O 0.57124543469718 0.87302614153189 0.82835086690119 15.999 > 53 89 O 0.12302614153189 0.42875456530282 0.57835086690119 15.999 > 57 90 O 0.62302614153189 0.42875456530282 0.57835086690119 15.999 > 57 91 O 0.12302614153189 0.92875456530282 0.57835086690119 15.999 > 57 92 O 0.62302614153189 0.92875456530282 0.57835086690119 15.999 > 57 93 O 0.32124543469718 0.37302614153189 0.92164913309881 15.999 > 61 94 O 0.82124543469718 0.37302614153189 0.92164913309881 15.999 > 61 95 O 0.32124543469718 0.87302614153189 0.92164913309881 15.999 > 61 96 O 0.82124543469718 0.87302614153189 0.92164913309881 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5289992 -0.0000013 0.0000000 0.0000013 5.5289992 0.0000000 0.0000000 0.0000000 5.3828477 -------------------------- Born effective charges -------------------------- 1 Bi 5.1303932 0.0367703 0.0000000 -0.0367703 5.1303932 0.0000000 -0.0000000 0.0000000 5.4478577 2 Bi 5.1303932 0.0367703 0.0000000 -0.0367703 5.1303932 0.0000000 -0.0000000 0.0000000 5.4478577 3 As 4.6637462 -0.0726848 0.0000000 0.0726848 4.6637462 0.0000000 -0.0000000 0.0000000 3.6081479 4 As 4.6637462 -0.0726848 0.0000000 0.0726848 4.6637462 0.0000000 -0.0000000 0.0000000 3.6081479 5 O -2.5916388 0.9029860 0.7022059 0.8850287 -2.3054309 0.1213718 0.7447946 -0.0744367 -2.2640014 6 O -2.5916388 0.9029860 0.7022059 0.8850287 -2.3054309 0.1213718 0.7447946 -0.0744367 -2.2640014 7 O -2.3054309 -0.8850287 -0.1213718 -0.9029860 -2.5916388 0.7022059 0.0744367 0.7447946 -2.2640014 8 O -2.5916388 0.9029860 -0.7022059 0.8850287 -2.3054309 -0.1213718 -0.7447946 0.0744367 -2.2640014 9 O -2.3054309 -0.8850287 0.1213718 -0.9029860 -2.5916388 -0.7022059 -0.0744367 -0.7447946 -2.2640014 10 O -2.3054309 -0.8850287 0.1213718 -0.9029860 -2.5916388 -0.7022059 -0.0744367 -0.7447946 -2.2640014 11 O -2.5916388 0.9029860 -0.7022059 0.8850287 -2.3054309 -0.1213718 -0.7447946 0.0744367 -2.2640014 12 O -2.3054309 -0.8850287 -0.1213718 -0.9029860 -2.5916388 0.7022059 0.0744367 0.7447946 -2.2640014 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000006 (xy) -0.00000006 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:46:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:46:38]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.544522025000000 2.544522025000000 5.808522185000000 b 2.544522025000000 -2.544522025000000 5.808522185000000 c 2.544522025000000 2.544522025000000 -5.808522185000000 Atomic positions (fractional): 1 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 3 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 4 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 5 O 0.02915826370446 0.91770141616259 0.60356141366942 15.999 6 O 0.72084173629554 0.33229858383741 0.89643858633058 15.999 7 O 0.08229858383741 0.68585999750683 0.11145684754187 15.999 8 O 0.31414000249316 0.42559685003504 0.39643858633058 15.999 9 O 0.17559685003504 0.27915826370446 0.61145684754187 15.999 10 O 0.57440314996496 0.97084173629554 0.88854315245813 15.999 11 O 0.43585999750684 0.82440314996496 0.10356141366942 15.999 12 O 0.66770141616259 0.56414000249316 0.38854315245813 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.178088100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.178088100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.617044370000000 Atomic positions (fractional): 1 Bi 0.00000000000000 0.25000000000000 0.25000000000000 208.980 > 1 2 Bi 0.50000000000000 0.25000000000000 0.25000000000000 208.980 > 1 3 Bi 0.00000000000000 0.75000000000000 0.25000000000000 208.980 > 1 4 Bi 0.50000000000000 0.75000000000000 0.25000000000000 208.980 > 1 5 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 5 6 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 5 7 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 5 8 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 5 9 Bi 0.25000000000000 0.00000000000000 0.75000000000000 208.980 > 1 10 Bi 0.75000000000000 0.00000000000000 0.75000000000000 208.980 > 1 11 Bi 0.25000000000000 0.50000000000000 0.75000000000000 208.980 > 1 12 Bi 0.75000000000000 0.50000000000000 0.75000000000000 208.980 > 1 13 Bi 0.25000000000000 0.25000000000000 0.50000000000000 208.980 > 5 14 Bi 0.75000000000000 0.25000000000000 0.50000000000000 208.980 > 5 15 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 > 5 16 Bi 0.75000000000000 0.75000000000000 0.50000000000000 208.980 > 5 17 As 0.25000000000000 0.00000000000000 0.25000000000000 74.922 > 17 18 As 0.75000000000000 0.00000000000000 0.25000000000000 74.922 > 17 19 As 0.25000000000000 0.50000000000000 0.25000000000000 74.922 > 17 20 As 0.75000000000000 0.50000000000000 0.25000000000000 74.922 > 17 21 As 0.25000000000000 0.25000000000000 0.00000000000000 74.922 > 21 22 As 0.75000000000000 0.25000000000000 0.00000000000000 74.922 > 21 23 As 0.25000000000000 0.75000000000000 0.00000000000000 74.922 > 21 24 As 0.75000000000000 0.75000000000000 0.00000000000000 74.922 > 21 25 As 0.00000000000000 0.25000000000000 0.75000000000000 74.922 > 17 26 As 0.50000000000000 0.25000000000000 0.75000000000000 74.922 > 17 27 As 0.00000000000000 0.75000000000000 0.75000000000000 74.922 > 17 28 As 0.50000000000000 0.75000000000000 0.75000000000000 74.922 > 17 29 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 21 30 As 0.50000000000000 0.00000000000000 0.50000000000000 74.922 > 21 31 As 0.00000000000000 0.50000000000000 0.50000000000000 74.922 > 21 32 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 21 33 O 0.37302614153189 0.42875456530282 0.17164913309881 15.999 > 33 34 O 0.87302614153189 0.42875456530282 0.17164913309881 15.999 > 33 35 O 0.37302614153189 0.92875456530282 0.17164913309881 15.999 > 33 36 O 0.87302614153189 0.92875456530282 0.17164913309881 15.999 > 33 37 O 0.12697385846811 0.32124543469718 0.07835086690119 15.999 > 37 38 O 0.62697385846811 0.32124543469718 0.07835086690119 15.999 > 37 39 O 0.12697385846811 0.82124543469718 0.07835086690119 15.999 > 37 40 O 0.62697385846811 0.82124543469718 0.07835086690119 15.999 > 37 41 O 0.17875456530282 0.37697385846811 0.32835086690119 15.999 > 41 42 O 0.67875456530282 0.37697385846811 0.32835086690119 15.999 > 41 43 O 0.17875456530282 0.87697385846811 0.32835086690119 15.999 > 41 44 O 0.67875456530282 0.87697385846811 0.32835086690119 15.999 > 41 45 O 0.12697385846811 0.07124543469718 0.17164913309881 15.999 > 45 46 O 0.62697385846811 0.07124543469718 0.17164913309881 15.999 > 45 47 O 0.12697385846811 0.57124543469718 0.17164913309881 15.999 > 45 48 O 0.62697385846811 0.57124543469718 0.17164913309881 15.999 > 45 49 O 0.42875456530282 0.37697385846811 0.42164913309881 15.999 > 49 50 O 0.92875456530282 0.37697385846811 0.42164913309881 15.999 > 49 51 O 0.42875456530282 0.87697385846811 0.42164913309881 15.999 > 49 52 O 0.92875456530282 0.87697385846811 0.42164913309881 15.999 > 49 53 O 0.32124543469718 0.12302614153189 0.32835086690119 15.999 > 53 54 O 0.82124543469718 0.12302614153189 0.32835086690119 15.999 > 53 55 O 0.32124543469718 0.62302614153189 0.32835086690119 15.999 > 53 56 O 0.82124543469718 0.62302614153189 0.32835086690119 15.999 > 53 57 O 0.37302614153189 0.17875456530282 0.07835086690119 15.999 > 57 58 O 0.87302614153189 0.17875456530282 0.07835086690119 15.999 > 57 59 O 0.37302614153189 0.67875456530282 0.07835086690119 15.999 > 57 60 O 0.87302614153189 0.67875456530282 0.07835086690119 15.999 > 57 61 O 0.07124543469718 0.12302614153189 0.42164913309881 15.999 > 61 62 O 0.57124543469718 0.12302614153189 0.42164913309881 15.999 > 61 63 O 0.07124543469718 0.62302614153189 0.42164913309881 15.999 > 61 64 O 0.57124543469718 0.62302614153189 0.42164913309881 15.999 > 61 65 O 0.12302614153189 0.17875456530282 0.67164913309881 15.999 > 33 66 O 0.62302614153189 0.17875456530282 0.67164913309881 15.999 > 33 67 O 0.12302614153189 0.67875456530282 0.67164913309881 15.999 > 33 68 O 0.62302614153189 0.67875456530282 0.67164913309881 15.999 > 33 69 O 0.37697385846811 0.07124543469718 0.57835086690119 15.999 > 37 70 O 0.87697385846811 0.07124543469718 0.57835086690119 15.999 > 37 71 O 0.37697385846811 0.57124543469718 0.57835086690119 15.999 > 37 72 O 0.87697385846811 0.57124543469718 0.57835086690119 15.999 > 37 73 O 0.42875456530282 0.12697385846811 0.82835086690119 15.999 > 41 74 O 0.92875456530282 0.12697385846811 0.82835086690119 15.999 > 41 75 O 0.42875456530282 0.62697385846811 0.82835086690119 15.999 > 41 76 O 0.92875456530282 0.62697385846811 0.82835086690119 15.999 > 41 77 O 0.37697385846811 0.32124543469718 0.67164913309881 15.999 > 45 78 O 0.87697385846811 0.32124543469718 0.67164913309881 15.999 > 45 79 O 0.37697385846811 0.82124543469718 0.67164913309881 15.999 > 45 80 O 0.87697385846811 0.82124543469718 0.67164913309881 15.999 > 45 81 O 0.17875456530282 0.12697385846811 0.92164913309881 15.999 > 49 82 O 0.67875456530282 0.12697385846811 0.92164913309881 15.999 > 49 83 O 0.17875456530282 0.62697385846811 0.92164913309881 15.999 > 49 84 O 0.67875456530282 0.62697385846811 0.92164913309881 15.999 > 49 85 O 0.07124543469718 0.37302614153189 0.82835086690119 15.999 > 53 86 O 0.57124543469718 0.37302614153189 0.82835086690119 15.999 > 53 87 O 0.07124543469718 0.87302614153189 0.82835086690119 15.999 > 53 88 O 0.57124543469718 0.87302614153189 0.82835086690119 15.999 > 53 89 O 0.12302614153189 0.42875456530282 0.57835086690119 15.999 > 57 90 O 0.62302614153189 0.42875456530282 0.57835086690119 15.999 > 57 91 O 0.12302614153189 0.92875456530282 0.57835086690119 15.999 > 57 92 O 0.62302614153189 0.92875456530282 0.57835086690119 15.999 > 57 93 O 0.32124543469718 0.37302614153189 0.92164913309881 15.999 > 61 94 O 0.82124543469718 0.37302614153189 0.92164913309881 15.999 > 61 95 O 0.32124543469718 0.87302614153189 0.92164913309881 15.999 > 61 96 O 0.82124543469718 0.87302614153189 0.92164913309881 15.999 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5289992 -0.0000013 0.0000000 0.0000013 5.5289992 0.0000000 0.0000000 0.0000000 5.3828477 -------------------------- Born effective charges -------------------------- 1 Bi 5.1303932 0.0367703 0.0000000 -0.0367703 5.1303932 0.0000000 -0.0000000 0.0000000 5.4478577 2 Bi 5.1303932 0.0367703 0.0000000 -0.0367703 5.1303932 0.0000000 -0.0000000 0.0000000 5.4478577 3 As 4.6637462 -0.0726848 0.0000000 0.0726848 4.6637462 0.0000000 -0.0000000 0.0000000 3.6081479 4 As 4.6637462 -0.0726848 0.0000000 0.0726848 4.6637462 0.0000000 -0.0000000 0.0000000 3.6081479 5 O -2.5916388 0.9029860 0.7022059 0.8850287 -2.3054309 0.1213718 0.7447946 -0.0744367 -2.2640014 6 O -2.5916388 0.9029860 0.7022059 0.8850287 -2.3054309 0.1213718 0.7447946 -0.0744367 -2.2640014 7 O -2.3054309 -0.8850287 -0.1213718 -0.9029860 -2.5916388 0.7022059 0.0744367 0.7447946 -2.2640014 8 O -2.5916388 0.9029860 -0.7022059 0.8850287 -2.3054309 -0.1213718 -0.7447946 0.0744367 -2.2640014 9 O -2.3054309 -0.8850287 0.1213718 -0.9029860 -2.5916388 -0.7022059 -0.0744367 -0.7447946 -2.2640014 10 O -2.3054309 -0.8850287 0.1213718 -0.9029860 -2.5916388 -0.7022059 -0.0744367 -0.7447946 -2.2640014 11 O -2.5916388 0.9029860 -0.7022059 0.8850287 -2.3054309 -0.1213718 -0.7447946 0.0744367 -2.2640014 12 O -2.3054309 -0.8850287 -0.1213718 -0.9029860 -2.5916388 0.7022059 0.0744367 0.7447946 -2.2640014 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... Generalized regular grid: [ 2 10 40 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 4 4 0 ] 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: 0.78, Number of G-points: 293, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/131) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 131 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 2.519 ( 0.000 0.000 -0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.970 ( -0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 -0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 4.803 ( -0.000 0.000 -0.000) 0.000 4.875 ( 0.000 -0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 -0.000) 0.000 7.325 ( 0.000 -0.000 0.000) 0.000 8.034 ( -0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.106 ( 0.000 0.000 -0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 10.547 ( 0.000 -0.000 -0.000) 0.000 10.728 ( -0.000 0.000 0.000) 0.000 10.728 ( 0.000 -0.000 0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 12.817 ( 0.000 0.000 -0.000) 0.000 13.294 ( 0.000 0.000 -0.000) 0.000 13.480 ( 0.000 0.000 0.000) 0.000 20.236 ( 0.000 0.000 0.000) 0.000 20.872 ( 0.000 0.000 -0.000) 0.000 20.872 ( 0.000 0.000 0.000) 0.000 20.904 ( 0.000 -0.000 -0.000) 0.000 21.230 ( 0.000 0.000 0.000) 0.000 21.230 ( -0.000 -0.000 -0.000) 0.000 22.844 ( -0.000 0.000 0.000) 0.000 23.077 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/131) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.182 ( -0.000 0.000 0.000) 0.000 2.812 ( -0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 -0.000) 0.000 3.983 ( 0.000 0.000 -0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.280 ( -0.000 0.000 0.000) 0.000 4.755 ( -0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.938 ( -0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 -0.000) 0.000 6.849 ( -0.000 0.000 0.000) 0.000 7.713 ( 0.000 0.000 -0.000) 0.000 7.894 ( -0.000 0.000 0.000) 0.000 8.554 ( 0.000 0.000 0.000) 0.000 9.001 ( -0.000 0.000 0.000) 0.000 9.732 ( -0.000 0.000 0.000) 0.000 10.585 ( -0.000 0.000 0.000) 0.000 10.806 ( 0.000 0.000 0.000) 0.000 11.620 ( -0.000 0.000 0.000) 0.000 12.216 ( -0.000 0.000 0.000) 0.000 12.290 ( 0.000 0.000 0.000) 0.000 12.364 ( -0.000 0.000 0.000) 0.000 13.338 ( 0.000 0.000 -0.000) 0.000 13.361 ( -0.000 -0.000 0.000) 0.000 20.038 ( -0.000 0.000 0.000) 0.000 20.576 ( -0.000 0.000 0.000) 0.000 21.095 ( 0.000 0.000 0.000) 0.000 21.628 ( 0.000 0.000 0.000) 0.000 21.951 ( 0.000 0.000 0.000) 0.000 22.915 ( 0.000 0.000 0.000) 0.000 22.991 ( -0.000 0.000 0.000) 0.000 23.798 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/131) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 3.272 -7.154 -5.067) 9.358 1.846 ( -4.616 -7.039 -5.902) 10.281 2.225 ( 2.422 -0.629 6.334) 6.810 2.711 ( -4.447 -3.841 0.994) 5.960 3.088 ( 6.334 4.913 -4.502) 9.194 3.620 ( -7.064 -13.107 -10.881) 18.441 3.959 ( 2.273 -3.591 -9.267) 10.195 4.109 ( -3.698 -6.514 5.329) 9.193 4.434 ( 3.980 2.343 0.728) 4.675 4.751 ( 1.568 1.803 2.021) 3.130 5.191 ( 3.324 -8.506 4.001) 9.970 5.332 ( 0.940 -1.841 1.703) 2.678 6.007 ( -5.685 6.510 0.265) 8.647 6.091 ( -3.979 9.562 3.544) 10.947 6.751 ( -1.071 -3.909 -2.418) 4.719 7.572 ( 1.889 -14.398 -0.362) 14.526 8.012 ( -5.834 6.405 -2.124) 8.920 8.472 ( -1.445 -1.463 -6.340) 6.665 8.907 ( -1.612 -6.143 4.560) 7.819 9.866 ( 3.769 6.819 3.835) 8.684 10.500 ( -12.621 -1.330 -1.787) 12.816 10.783 ( -7.432 10.938 -0.147) 13.225 11.403 ( 4.955 -11.891 -7.049) 14.684 12.170 ( 0.110 -6.065 7.030) 9.285 12.259 ( -2.533 -1.009 1.157) 2.962 12.604 ( 9.084 5.967 5.975) 12.403 13.087 ( -14.152 3.674 1.359) 14.684 13.617 ( 3.711 7.260 -8.431) 11.729 20.087 ( 2.996 1.636 5.050) 6.096 20.627 ( 3.102 2.336 2.138) 4.433 21.116 ( 2.327 0.361 -6.833) 7.227 21.524 ( -6.745 -4.308 -5.965) 9.982 21.907 ( -0.039 -3.640 -6.848) 7.755 22.810 ( -5.319 -0.490 2.756) 6.011 23.070 ( 2.281 0.059 -2.388) 3.303 23.731 ( -6.025 0.901 13.779) 15.066 ======================= Grid point 4 (4/131) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -5.602 36.287 -0.000) 36.717 0.636 ( 15.985 15.470 0.000) 22.245 1.501 ( 43.836 25.384 0.000) 50.656 2.431 ( -1.948 -3.226 0.000) 3.769 2.650 ( 4.395 6.543 -0.000) 7.882 3.056 ( -0.870 -0.394 -0.000) 0.954 3.135 ( 7.021 6.636 0.000) 9.661 3.842 ( 2.575 2.299 0.000) 3.452 4.704 ( -3.525 -0.994 -0.000) 3.663 4.801 ( -3.125 -2.936 -0.000) 4.287 5.076 ( 8.034 8.894 -0.000) 11.986 5.117 ( 14.774 7.873 0.000) 16.741 5.838 ( -1.659 8.706 -0.000) 8.862 6.594 ( 2.377 -0.984 0.000) 2.572 6.886 ( -0.449 -4.086 0.000) 4.111 7.129 ( -9.208 -9.947 0.000) 13.555 7.940 ( -6.130 -2.311 -0.000) 6.551 8.166 ( 5.390 1.883 0.000) 5.709 8.266 ( 9.931 9.488 0.000) 13.735 10.216 ( -3.277 -17.409 0.000) 17.714 10.482 ( -2.138 -0.548 -0.000) 2.207 11.002 ( -2.623 17.953 -0.000) 18.143 11.795 ( -6.805 -6.524 -0.000) 9.427 11.931 ( -0.085 -0.281 0.000) 0.294 12.796 ( -0.968 -1.513 0.000) 1.797 12.866 ( 4.348 1.366 0.000) 4.558 13.227 ( -2.474 -3.982 0.000) 4.688 13.432 ( -2.800 -2.132 -0.000) 3.519 20.280 ( 2.424 2.091 0.000) 3.201 20.700 ( -4.047 -8.166 0.000) 9.114 20.892 ( -0.873 2.490 -0.000) 2.639 21.213 ( -4.885 3.577 -0.000) 6.055 21.464 ( 9.658 5.260 0.000) 10.997 22.865 ( 0.848 1.073 -0.000) 1.368 23.037 ( -1.674 -2.052 0.000) 2.648 24.374 ( 0.269 -3.482 0.000) 3.492 ======================= Grid point 5 (5/131) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -2.605 26.527 -0.000) 26.655 1.188 ( 12.045 11.063 0.000) 16.355 2.413 ( 2.511 1.892 0.000) 3.144 2.597 ( 27.402 12.519 0.000) 30.127 2.820 ( 0.345 3.040 -0.000) 3.059 3.039 ( -1.510 1.304 -0.000) 1.996 3.433 ( 7.427 8.450 -0.000) 11.250 3.976 ( -0.244 7.777 -0.000) 7.781 4.661 ( 2.273 -1.019 0.000) 2.491 4.733 ( 1.327 0.320 0.000) 1.365 5.360 ( 6.298 -10.625 0.000) 12.352 5.377 ( 2.738 8.120 -0.000) 8.569 5.999 ( -9.556 15.813 -0.000) 18.476 6.629 ( -13.670 -16.022 0.000) 21.061 6.792 ( 19.857 4.944 0.000) 20.463 6.858 ( -0.344 1.948 -0.000) 1.979 7.726 ( -7.126 -5.543 -0.000) 9.028 8.278 ( -2.000 5.144 -0.000) 5.519 8.727 ( 15.845 5.869 0.000) 16.897 9.825 ( -3.966 -14.225 0.000) 14.768 10.367 ( -6.106 -3.186 -0.000) 6.887 11.263 ( -4.384 15.506 -0.000) 16.114 11.467 ( -10.027 -7.674 -0.000) 12.626 11.916 ( 1.138 -2.399 0.000) 2.655 12.705 ( -1.618 -5.639 0.000) 5.866 12.913 ( -5.087 -1.108 -0.000) 5.207 13.132 ( 6.873 -5.171 0.000) 8.601 13.303 ( -6.290 -0.675 -0.000) 6.326 20.412 ( 5.314 3.447 0.000) 6.334 20.525 ( 3.560 -8.922 0.000) 9.606 20.914 ( -3.515 3.538 -0.000) 4.987 21.204 ( -7.686 8.827 -0.000) 11.704 21.687 ( 5.378 1.476 0.000) 5.577 22.903 ( 0.021 1.402 -0.000) 1.402 22.945 ( -1.558 -3.870 0.000) 4.171 24.218 ( -3.817 -10.037 0.000) 10.738 ======================= Grid point 6 (6/131) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 3.985 -6.656 -9.528) 12.287 1.698 ( 4.234 -5.030 -9.256) 11.354 2.229 ( 2.331 -3.007 7.453) 8.368 2.564 ( -3.379 -1.550 4.585) 5.903 3.170 ( -2.632 -5.791 -1.288) 6.490 3.355 ( 2.459 -1.782 -12.614) 12.974 3.781 ( -0.782 -12.446 -4.607) 13.294 4.115 ( 8.117 1.568 -6.494) 10.512 4.499 ( 1.661 1.918 3.187) 4.074 4.798 ( 2.306 -3.993 2.813) 5.402 5.089 ( 1.484 -6.590 4.975) 8.390 5.436 ( 5.127 0.284 3.572) 6.255 5.908 ( -7.771 1.651 2.311) 8.274 6.172 ( -10.331 13.762 5.197) 17.976 6.760 ( 4.354 1.030 -1.250) 4.646 7.250 ( -1.019 -16.922 -1.732) 17.041 7.902 ( -2.747 -1.232 -4.734) 5.610 8.423 ( -6.575 1.293 8.128) 10.534 8.809 ( 2.225 -4.394 -10.437) 11.541 9.795 ( -11.434 -3.344 2.806) 12.239 10.412 ( -6.959 11.794 -7.861) 15.790 11.014 ( 5.184 16.217 2.992) 17.286 11.472 ( 10.638 -1.514 -5.781) 12.202 11.968 ( -5.395 -6.930 2.700) 9.188 12.211 ( 3.593 -5.287 8.713) 10.807 12.710 ( -0.614 -3.760 10.567) 11.233 13.020 ( -10.173 13.478 -3.894) 17.330 13.735 ( -4.277 4.753 -8.397) 10.554 20.195 ( 3.930 1.785 7.041) 8.259 20.786 ( 5.086 4.538 3.373) 7.605 21.193 ( -8.220 -9.278 -15.202) 19.614 21.230 ( 1.423 3.755 -6.514) 7.652 21.837 ( 1.674 -4.631 -6.893) 8.472 22.732 ( -2.467 0.903 3.356) 4.262 23.046 ( -1.598 -1.117 0.009) 1.950 23.657 ( -6.651 4.093 16.548) 18.298 ======================= Grid point 7 (7/131) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 7.847 -5.482 -6.285) 11.451 1.816 ( 7.062 3.171 -6.084) 9.846 2.218 ( 2.404 -3.453 4.801) 6.384 2.571 ( 4.025 2.391 6.982) 8.407 3.129 ( 1.175 2.468 -8.760) 9.176 3.349 ( 6.121 -5.181 -6.715) 10.459 3.694 ( 8.084 -2.398 -1.793) 8.621 4.254 ( -1.537 3.285 -0.156) 3.630 4.616 ( 7.096 -4.470 -1.443) 8.510 4.714 ( -1.590 -6.248 12.507) 14.071 4.828 ( -1.804 -6.499 -3.152) 7.445 5.514 ( 3.752 -1.013 1.322) 4.105 5.932 ( -5.138 9.123 10.780) 15.028 6.255 ( -8.264 12.015 3.452) 14.985 6.888 ( 2.477 -4.039 0.399) 4.755 7.027 ( 9.403 -3.045 -6.751) 11.969 7.961 ( 4.666 1.907 -2.117) 5.467 8.369 ( -1.569 5.972 11.975) 13.473 8.766 ( 1.708 -2.953 -14.495) 14.891 9.612 ( -4.892 1.171 2.159) 5.474 10.491 ( -6.940 11.632 -7.474) 15.471 11.286 ( -10.960 1.488 -2.505) 11.340 11.625 ( 11.590 -0.659 -3.964) 12.267 11.898 ( 1.425 6.212 1.639) 6.581 12.194 ( 6.212 -4.800 9.182) 12.081 12.583 ( -0.675 -6.270 12.645) 14.130 13.093 ( -10.936 14.669 -5.672) 19.156 13.653 ( -6.771 -0.698 -6.360) 9.316 20.294 ( 2.370 0.972 4.170) 4.894 20.689 ( -10.198 -10.091 -10.485) 17.770 21.032 ( 3.423 2.772 -1.949) 4.817 21.426 ( 4.509 6.235 0.939) 7.752 21.806 ( 4.060 -3.693 -4.861) 7.331 22.765 ( 0.226 4.378 1.452) 4.618 23.044 ( 1.266 0.846 -1.017) 1.831 23.614 ( -5.883 5.174 12.371) 14.643 ======================= Grid point 8 (8/131) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 4.844 5.492 -0.000) 7.323 1.544 ( -0.586 13.192 -0.000) 13.205 2.583 ( 5.652 4.524 0.000) 7.240 2.727 ( -6.725 -4.618 -0.000) 8.157 3.017 ( 9.558 -7.322 0.000) 12.040 3.062 ( -5.620 8.092 -0.000) 9.852 3.770 ( 6.884 12.151 -0.000) 13.965 4.035 ( -6.921 2.937 -0.000) 7.519 4.682 ( -5.100 4.698 -0.000) 6.934 4.867 ( 6.436 2.734 0.000) 6.993 5.256 ( 16.241 -12.815 0.000) 20.688 5.458 ( -5.329 2.804 -0.000) 6.021 5.993 ( -11.711 5.446 -0.000) 12.915 6.069 ( -11.465 -12.885 0.000) 17.248 6.887 ( -2.616 3.827 -0.000) 4.635 7.420 ( 21.169 7.816 0.000) 22.566 7.467 ( -5.754 -7.468 0.000) 9.428 8.239 ( -13.557 4.846 -0.000) 14.397 8.906 ( 5.749 -10.362 0.000) 11.850 9.522 ( -4.888 -8.400 0.000) 9.719 10.168 ( -4.788 -1.870 -0.000) 5.140 11.236 ( 0.199 -3.816 0.000) 3.821 11.442 ( -5.212 12.604 -0.000) 13.639 11.891 ( 2.370 -2.770 0.000) 3.645 12.494 ( -3.324 -11.046 0.000) 11.535 12.709 ( -6.699 -4.144 -0.000) 7.877 13.211 ( -7.766 5.881 -0.000) 9.742 13.214 ( 8.797 -5.389 0.000) 10.316 20.476 ( 9.617 -9.655 0.000) 13.627 20.613 ( 7.713 3.603 0.000) 8.514 20.877 ( -7.226 3.409 -0.000) 7.990 21.280 ( -6.992 13.023 -0.000) 14.782 21.743 ( -0.078 0.734 -0.000) 0.738 22.832 ( -0.118 -5.733 0.000) 5.734 22.906 ( -2.332 1.048 -0.000) 2.556 23.813 ( -9.500 -17.407 0.000) 19.830 ======================= Grid point 9 (9/131) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.293 3.624 -0.000) 3.636 1.689 ( 1.009 2.104 -0.000) 2.334 2.412 ( -7.933 -6.025 -0.000) 9.962 2.777 ( -7.715 -18.356 0.000) 19.912 2.802 ( 6.162 2.415 0.000) 6.618 3.021 ( -8.289 5.142 -0.000) 9.755 3.944 ( -1.258 2.735 -0.000) 3.010 4.122 ( 1.351 10.982 -0.000) 11.065 4.815 ( 1.395 10.819 -0.000) 10.909 4.979 ( 3.141 -0.939 0.000) 3.278 5.340 ( -4.957 -1.367 -0.000) 5.142 5.388 ( 14.147 -8.052 0.000) 16.278 5.728 ( -7.975 -3.555 -0.000) 8.731 5.750 ( -12.688 -5.126 -0.000) 13.685 6.945 ( -3.257 8.663 -0.000) 9.255 7.227 ( -3.733 -6.572 0.000) 7.558 7.704 ( 7.963 -7.527 0.000) 10.957 7.909 ( -18.248 -2.713 -0.000) 18.449 8.797 ( 6.199 -6.384 0.000) 8.899 9.224 ( -10.387 -6.748 -0.000) 12.386 10.327 ( 9.174 13.962 -0.000) 16.706 11.191 ( 4.732 -11.693 0.000) 12.615 11.578 ( -3.952 11.468 -0.000) 12.130 11.956 ( 3.152 2.546 0.000) 4.052 12.173 ( -3.945 -10.523 0.000) 11.238 12.514 ( -5.262 -4.695 -0.000) 7.052 13.211 ( -8.021 9.058 -0.000) 12.099 13.239 ( 7.719 -8.005 0.000) 11.121 20.512 ( 11.920 -8.285 0.000) 14.517 20.749 ( -9.475 4.132 -0.000) 10.336 20.867 ( 8.330 2.548 0.000) 8.711 21.311 ( -8.450 2.480 -0.000) 8.807 21.887 ( 2.531 15.348 -0.000) 15.555 22.713 ( 0.995 -8.247 0.000) 8.306 22.864 ( -4.054 1.713 -0.000) 4.401 23.219 ( -10.689 -19.906 0.000) 22.594 ======================= Grid point 10 (10/131) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 7.167 -3.064 -2.921) 8.324 1.969 ( 2.301 1.861 -0.368) 2.982 2.187 ( 1.559 -2.655 0.661) 3.149 2.763 ( 5.615 3.633 3.604) 7.597 2.996 ( -4.658 -4.489 -3.745) 7.475 3.723 ( 17.018 6.515 -7.966) 19.887 3.862 ( 7.779 1.400 -0.224) 7.907 4.216 ( -8.614 5.964 6.411) 12.283 4.324 ( 0.618 -11.908 1.116) 11.976 4.774 ( -0.597 -1.362 -1.185) 1.901 4.971 ( 13.587 4.431 2.617) 14.529 5.502 ( 1.270 -4.643 0.062) 4.814 5.954 ( -9.315 7.806 6.253) 13.667 6.201 ( -9.907 -0.073 4.010) 10.688 6.829 ( 2.766 -2.180 -2.302) 4.207 7.385 ( 16.018 6.273 -2.574) 17.394 7.996 ( -4.220 1.480 -0.830) 4.548 8.530 ( 1.776 2.411 3.808) 4.844 8.877 ( 8.645 3.612 -2.114) 9.605 9.610 ( -0.281 4.604 2.895) 5.445 10.630 ( -1.180 9.055 -5.410) 10.614 10.913 ( -16.895 -3.237 -6.753) 18.480 11.692 ( 6.184 -10.369 0.058) 12.073 12.081 ( 0.692 8.313 4.101) 9.295 12.293 ( 3.427 2.244 2.973) 5.062 12.436 ( 0.752 -8.796 6.579) 11.010 13.201 ( -8.548 15.947 -6.425) 19.200 13.494 ( -2.291 -5.582 -1.320) 6.176 20.177 ( -5.961 -6.659 -5.352) 10.417 20.525 ( 2.096 0.885 0.581) 2.348 21.099 ( 0.972 -0.424 -1.218) 1.615 21.588 ( 1.102 3.585 3.251) 4.963 21.876 ( 5.302 0.697 -1.217) 5.484 22.863 ( -1.382 5.746 -2.184) 6.301 23.042 ( 0.757 -3.790 -1.078) 4.013 23.695 ( 0.443 7.540 7.221) 10.450 ======================= Grid point 13 (11/131) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 1.114 -2.941 0.000) 3.145 1.696 ( -1.114 2.941 -0.000) 3.145 2.345 ( -2.890 -7.769 0.000) 8.289 2.345 ( 2.890 7.769 -0.000) 8.289 2.937 ( -7.483 2.094 -0.000) 7.770 2.937 ( 7.483 -2.094 0.000) 7.770 4.105 ( -9.134 -1.682 -0.000) 9.288 4.105 ( 9.134 1.682 0.000) 9.288 5.005 ( -0.808 -3.059 0.000) 3.164 5.005 ( 0.808 3.059 -0.000) 3.164 5.356 ( -7.104 -4.161 -0.000) 8.233 5.356 ( 7.104 4.161 0.000) 8.233 5.553 ( -8.614 2.665 -0.000) 9.017 5.553 ( 8.614 -2.665 0.000) 9.017 7.073 ( 1.311 -7.936 0.000) 8.044 7.073 ( -1.311 7.936 -0.000) 8.044 7.657 ( 6.422 -4.443 0.000) 7.809 7.657 ( -6.422 4.443 -0.000) 7.809 8.924 ( -8.498 -3.418 -0.000) 9.159 8.924 ( 8.498 3.418 0.000) 9.159 10.864 ( -6.165 -19.381 0.000) 20.338 10.864 ( 6.165 19.381 -0.000) 20.338 11.777 ( -1.491 -11.933 0.000) 12.026 11.777 ( 1.491 11.933 -0.000) 12.026 12.279 ( -6.575 -7.247 0.000) 9.785 12.279 ( 6.575 7.247 -0.000) 9.785 13.228 ( 8.236 -8.852 0.000) 12.091 13.228 ( -8.236 8.852 -0.000) 12.091 20.616 ( -12.244 5.638 -0.000) 13.480 20.616 ( 12.244 -5.638 0.000) 13.480 21.108 ( -10.253 -2.176 -0.000) 10.482 21.108 ( 10.253 2.176 0.000) 10.482 22.375 ( -6.712 -20.732 0.000) 21.791 22.375 ( 6.712 20.732 -0.000) 21.791 22.858 ( 1.703 -5.865 0.000) 6.107 22.858 ( -1.703 5.865 -0.000) 6.107 ======================= Grid point 23 (12/131) ======================= q-point: (-0.23 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -1.016 -17.461 -9.304) 19.811 1.277 ( -15.566 -20.643 -10.631) 27.954 2.014 ( 9.779 -23.952 -6.575) 26.694 2.586 ( 3.011 -8.923 -6.611) 11.506 2.660 ( -2.875 -9.808 0.341) 10.226 3.051 ( 1.122 3.474 -3.557) 5.097 3.401 ( -0.432 -6.519 -9.770) 11.753 3.922 ( -2.892 -5.648 -1.094) 6.440 4.546 ( 1.120 5.194 0.519) 5.338 4.822 ( 2.019 -2.371 4.647) 5.594 4.972 ( -1.579 -3.541 2.193) 4.454 5.139 ( 0.807 -6.906 -1.080) 7.036 6.141 ( -8.496 -7.438 -0.422) 11.300 6.614 ( 7.162 -14.077 8.428) 17.902 6.819 ( 0.805 -2.642 4.911) 5.634 6.919 ( 0.456 13.007 2.093) 13.182 8.062 ( -9.100 -3.608 0.053) 9.789 8.281 ( 10.136 -4.494 -4.261) 11.878 8.476 ( -0.464 -3.127 -10.365) 10.836 10.227 ( 14.724 10.344 3.462) 18.325 10.587 ( -0.475 -0.825 -4.817) 4.911 10.940 ( -22.410 -8.724 1.070) 24.072 11.537 ( 0.058 18.033 -0.958) 18.059 12.009 ( 0.057 -9.604 11.534) 15.009 12.122 ( 3.024 -12.901 13.450) 18.881 12.977 ( 1.711 5.784 11.423) 12.918 13.474 ( -6.032 9.022 -10.140) 14.852 13.576 ( 6.553 12.660 -21.699) 25.963 20.366 ( -3.019 4.278 -2.779) 5.928 20.549 ( 7.268 3.432 -0.334) 8.045 20.923 ( -2.815 -2.087 -1.477) 3.803 21.349 ( -8.825 -4.583 -5.158) 11.203 21.535 ( 5.451 -8.373 0.442) 10.001 22.899 ( -0.956 -1.610 -1.230) 2.240 23.007 ( 0.811 2.461 -0.187) 2.598 24.069 ( 2.732 -6.474 22.216) 23.301 ======================= Grid point 24 (13/131) ======================= q-point: ( 0.28 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.158 14.978 6.427) 16.300 1.643 ( 13.331 16.225 5.043) 21.596 2.286 ( -5.610 6.888 -8.639) 12.391 2.748 ( -0.508 6.355 -1.796) 6.623 2.909 ( 0.360 3.088 12.266) 12.654 3.068 ( 0.031 13.837 6.935) 15.478 3.582 ( 0.244 10.323 6.974) 12.461 4.070 ( 3.752 10.311 0.169) 10.974 4.476 ( -3.231 -2.460 -1.971) 4.514 4.813 ( -2.128 -2.801 -1.391) 3.783 5.089 ( -1.813 7.684 -7.905) 11.172 5.280 ( 3.619 7.013 0.286) 7.897 6.197 ( 8.549 -1.295 1.750) 8.822 6.516 ( -1.933 -19.252 -3.667) 19.693 6.761 ( -3.315 -0.330 -4.683) 5.747 7.103 ( -3.183 19.610 1.746) 19.943 8.123 ( 3.963 0.354 0.025) 3.979 8.228 ( -0.108 -2.072 12.283) 12.457 8.800 ( -4.587 21.378 -5.706) 22.597 10.002 ( -11.118 -12.172 -2.909) 16.740 10.617 ( -0.108 2.089 1.369) 2.500 11.129 ( 7.908 -2.550 1.803) 8.503 11.155 ( 13.497 -6.272 2.024) 15.020 12.144 ( -1.170 6.093 -2.502) 6.690 12.326 ( -1.576 6.306 -13.591) 15.065 12.803 ( -3.899 -11.825 -5.520) 13.620 13.325 ( 2.654 -4.600 11.962) 13.088 13.413 ( -3.410 -5.935 7.096) 9.859 20.244 ( -0.428 -6.613 -4.337) 7.920 20.541 ( -6.115 1.195 3.954) 7.379 20.966 ( 3.946 2.560 2.597) 5.373 21.449 ( 10.306 5.286 6.132) 13.105 21.690 ( -4.750 6.992 -0.139) 8.454 22.930 ( 3.352 1.091 0.349) 3.543 22.958 ( -3.730 -1.897 1.588) 4.476 24.105 ( -3.596 -1.721 -15.044) 15.563 ======================= Grid point 25 (14/131) ======================= q-point: ( 0.28 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 3.214 9.395 6.124) 11.666 1.949 ( -1.852 4.167 1.153) 4.704 2.351 ( 2.361 1.993 -12.711) 13.081 2.826 ( -2.177 3.944 -1.365) 4.707 2.923 ( 1.631 -1.565 4.497) 5.033 3.503 ( 4.764 18.494 8.112) 20.749 3.819 ( 2.724 10.845 4.238) 11.958 4.278 ( -1.105 -0.495 0.337) 1.257 4.385 ( 0.757 1.040 -3.439) 3.672 4.740 ( 1.435 -1.321 -0.023) 1.951 5.137 ( -6.925 6.653 -9.025) 13.178 5.481 ( 4.096 0.118 1.646) 4.416 6.044 ( -6.309 -15.005 -1.962) 16.395 6.244 ( 3.293 -11.140 -0.296) 11.621 6.831 ( 4.292 8.869 -2.001) 10.054 7.366 ( -6.337 15.911 -1.027) 17.158 7.892 ( -6.084 -5.313 8.785) 11.934 8.463 ( 7.913 1.748 3.302) 8.751 9.043 ( -11.225 15.500 -10.442) 21.801 9.643 ( -5.763 -4.368 -0.378) 7.241 10.552 ( -10.372 2.686 1.899) 10.881 10.784 ( 2.978 -18.269 4.856) 19.136 11.691 ( 10.124 7.561 0.040) 12.636 12.136 ( -8.199 2.145 -1.333) 8.579 12.384 ( -1.619 -2.185 -5.173) 5.844 12.546 ( 8.324 -9.103 -3.059) 12.709 13.036 ( -12.029 -5.408 8.216) 15.539 13.480 ( 2.994 3.669 -0.045) 4.736 20.117 ( 1.718 -6.130 0.212) 6.370 20.525 ( -0.296 2.571 0.932) 2.750 21.093 ( 1.763 3.554 -0.240) 3.975 21.639 ( 0.211 0.536 -1.100) 1.242 21.791 ( 0.907 9.862 4.515) 10.884 22.822 ( -4.484 -2.963 1.474) 5.573 23.017 ( 1.707 2.334 1.140) 3.108 23.876 ( -10.402 -8.047 -7.937) 15.361 ======================= Grid point 26 (15/131) ======================= q-point: (-0.23 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 11.881 -9.707 -16.123) 22.256 0.951 ( 21.156 -4.212 -16.711) 27.287 1.714 ( 18.453 -29.313 -18.369) 39.207 2.481 ( -0.119 -0.998 -2.378) 2.581 2.584 ( 5.043 -3.701 5.490) 8.323 3.103 ( -0.447 -0.891 -4.080) 4.200 3.353 ( -3.010 3.705 -15.117) 15.853 3.852 ( 3.967 -2.444 -1.019) 4.770 4.703 ( 2.170 3.161 1.479) 4.110 4.789 ( -3.809 0.435 0.921) 3.943 4.949 ( 4.517 -4.974 6.212) 9.151 5.151 ( 5.717 -11.489 -0.239) 12.835 5.871 ( 8.533 2.068 -3.004) 9.280 6.437 ( 6.514 -13.024 8.693) 16.959 6.760 ( 4.104 -4.698 5.117) 8.068 7.074 ( -9.357 8.796 4.923) 13.754 7.952 ( 0.543 4.914 2.049) 5.352 8.210 ( 7.174 -12.629 2.655) 14.765 8.573 ( -11.874 11.380 -24.692) 29.668 10.188 ( -16.412 3.896 2.617) 17.070 10.566 ( -0.972 2.297 -7.851) 8.238 10.985 ( 18.618 2.602 1.401) 18.851 11.759 ( 2.743 -12.421 17.868) 21.933 11.843 ( 9.341 -1.097 11.954) 15.210 11.958 ( 0.348 -4.811 2.163) 5.286 13.026 ( -2.784 1.876 13.964) 14.362 13.535 ( -5.495 7.586 -9.078) 13.044 13.812 ( -16.001 13.386 -26.573) 33.784 20.389 ( 0.437 1.488 -7.218) 7.383 20.672 ( -5.677 -0.786 -1.262) 5.869 20.891 ( 3.890 -0.655 4.304) 5.839 21.216 ( 1.308 4.399 -3.678) 5.881 21.486 ( 4.921 -7.521 -2.491) 9.326 22.864 ( 0.056 0.448 -0.221) 0.503 23.036 ( -1.012 0.751 0.661) 1.423 23.947 ( 9.965 -12.551 27.036) 31.429 ======================= Grid point 28 (16/131) ======================= q-point: ( 0.28 -0.03 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 1.913 3.948 4.407) 6.218 1.897 ( -4.299 -0.074 0.385) 4.317 2.369 ( 2.183 -5.381 -9.490) 11.126 2.689 ( -7.920 -5.350 -0.725) 9.585 3.006 ( -0.714 6.221 6.318) 8.895 3.714 ( -10.433 3.964 -3.178) 11.604 4.075 ( -6.834 -1.302 -3.458) 7.769 4.085 ( 5.317 5.564 -1.563) 7.853 4.576 ( 13.176 0.112 0.281) 13.179 4.786 ( 5.075 -1.156 -0.574) 5.237 5.187 ( -3.563 8.767 -1.018) 9.518 5.368 ( -2.011 -8.802 1.228) 9.112 5.804 ( -3.298 -1.148 1.635) 3.856 5.983 ( -6.140 -11.256 1.254) 12.883 6.988 ( 2.119 -1.763 -11.565) 11.889 7.548 ( -7.504 17.387 0.222) 18.938 7.708 ( -4.415 -7.051 12.519) 15.031 8.430 ( -6.651 -8.311 -0.698) 10.667 9.035 ( -10.453 11.606 -10.281) 18.699 9.610 ( -3.275 5.007 3.731) 7.051 10.324 ( -11.334 1.773 -1.689) 11.596 10.609 ( 7.036 -9.811 6.282) 13.610 11.798 ( 1.890 -2.716 -4.888) 5.902 12.097 ( 0.617 2.848 4.378) 5.259 12.216 ( -6.148 -4.935 -0.734) 7.918 12.672 ( 1.552 1.080 0.828) 2.064 12.748 ( -2.571 -4.595 1.630) 5.512 13.601 ( -2.103 7.009 -1.732) 7.520 20.092 ( 5.488 -3.696 3.989) 7.726 20.614 ( 3.807 2.936 -0.622) 4.847 21.156 ( -2.876 4.138 -1.184) 5.177 21.565 ( -5.640 -1.679 -3.738) 6.972 22.031 ( 3.981 8.907 -1.777) 9.917 22.693 ( -2.600 -2.535 2.114) 4.202 23.082 ( -1.274 3.609 0.690) 3.889 23.396 ( -16.856 -11.736 1.005) 20.564 ======================= Grid point 29 (17/131) ======================= q-point: (-0.72 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -2.316 -0.233 -0.065) 2.329 1.887 ( 0.852 0.789 2.979) 3.197 2.251 ( -1.307 -4.746 -3.703) 6.160 2.463 ( -4.792 -1.270 0.170) 4.960 3.057 ( -4.449 5.265 2.531) 7.343 3.504 ( -10.568 1.778 -4.940) 11.800 3.893 ( -3.964 -3.056 -0.408) 5.022 4.236 ( -0.991 -2.827 -1.748) 3.468 4.778 ( 14.466 -3.735 -4.230) 15.527 4.901 ( 6.292 -1.638 1.119) 6.597 5.135 ( -3.206 -4.567 -0.205) 5.583 5.412 ( 4.473 5.205 3.813) 7.851 5.574 ( -13.144 -6.963 4.696) 15.598 5.774 ( -3.012 4.459 2.885) 6.106 6.960 ( 0.405 -2.317 -7.720) 8.071 7.411 ( -5.248 -9.170 3.729) 11.205 7.728 ( -7.604 15.905 0.502) 17.636 8.059 ( -9.530 -5.723 3.496) 11.653 9.107 ( -5.528 7.846 -10.970) 14.576 9.491 ( -13.734 5.579 3.959) 15.343 10.325 ( 3.273 -5.448 -4.805) 7.967 10.757 ( 10.849 12.625 6.123) 17.737 11.865 ( 5.149 -0.502 -6.747) 8.502 11.921 ( -6.560 -6.792 1.249) 9.525 12.208 ( 4.595 -0.273 5.597) 7.247 12.491 ( -11.772 2.159 1.459) 12.057 12.824 ( 4.860 -1.340 1.241) 5.192 13.648 ( -6.109 5.722 -2.524) 8.742 20.175 ( 7.952 -1.755 5.088) 9.602 20.783 ( 6.311 3.568 -0.587) 7.274 21.159 ( -5.824 5.433 0.293) 7.970 21.365 ( -8.904 -3.581 -7.443) 12.145 22.230 ( 1.659 -1.985 -13.125) 13.378 22.625 ( -0.394 -0.279 4.006) 4.035 22.896 ( -8.312 -2.273 9.470) 12.804 23.134 ( -6.536 7.069 2.476) 9.941 ======================= Grid point 30 (18/131) ======================= q-point: (-0.23 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 16.247 1.840 -6.880) 17.740 1.439 ( 14.518 -3.346 -10.989) 18.513 2.381 ( 5.206 3.071 10.102) 11.772 2.722 ( 2.608 -2.414 4.538) 5.763 2.971 ( 5.853 5.939 -13.349) 15.740 3.103 ( 8.187 2.544 -6.330) 10.657 3.599 ( 9.844 2.011 -8.226) 12.985 3.999 ( 9.683 -2.946 1.012) 10.172 4.547 ( -4.108 3.029 3.142) 5.994 4.818 ( 1.549 -0.826 1.127) 2.086 5.136 ( 5.517 4.350 5.688) 9.040 5.346 ( 1.872 8.272 0.055) 8.481 6.043 ( 0.630 -7.725 -0.376) 7.760 6.471 ( -18.441 -6.720 3.391) 19.918 6.778 ( -1.845 -0.391 4.081) 4.496 7.170 ( 21.506 3.667 -2.280) 21.935 7.923 ( 2.635 -10.679 -4.982) 12.075 8.302 ( -5.377 2.360 -10.041) 11.632 8.880 ( 18.280 3.076 8.422) 20.361 10.102 ( -8.481 -5.856 2.693) 10.652 10.409 ( 0.594 -13.892 -3.409) 14.316 10.968 ( 0.601 3.270 0.332) 3.341 11.192 ( -12.894 5.327 -4.357) 14.615 12.119 ( 7.008 -3.823 1.595) 8.141 12.387 ( 3.929 4.066 15.151) 16.172 12.872 ( -8.495 2.658 4.289) 9.881 13.164 ( -4.226 -10.646 -2.263) 11.676 13.499 ( -5.689 2.561 -14.381) 15.676 20.287 ( -2.471 3.576 8.106) 9.198 20.696 ( -1.694 9.007 -4.089) 10.036 20.904 ( 2.706 -1.814 -6.646) 7.402 21.228 ( 4.768 -11.440 -6.733) 14.104 21.753 ( 4.264 1.665 -0.594) 4.616 22.861 ( 0.188 -3.101 2.576) 4.035 23.011 ( -0.188 1.146 -2.721) 2.959 24.116 ( -3.001 -3.074 14.530) 15.151 ======================= Grid point 31 (19/131) ======================= q-point: (-0.23 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 5.059 3.086 -6.674) 8.925 1.643 ( 13.127 -1.502 -5.026) 14.136 2.493 ( -0.755 1.332 11.939) 12.037 2.690 ( 3.833 -4.624 4.403) 7.448 3.029 ( -4.533 2.704 -9.481) 10.851 3.309 ( 7.852 -0.852 -7.846) 11.132 3.791 ( 4.492 3.912 -7.288) 9.412 4.053 ( 0.866 -10.400 1.321) 10.519 4.506 ( 0.250 3.804 0.224) 3.818 4.902 ( 0.059 5.904 2.546) 6.430 5.258 ( 1.972 -0.007 1.451) 2.449 5.493 ( -1.160 4.963 4.056) 6.513 5.883 ( -3.081 -5.494 -0.434) 6.313 5.982 ( -11.696 -8.780 -0.517) 14.634 6.780 ( 0.619 1.626 2.290) 2.876 7.570 ( 12.996 -6.435 2.060) 14.647 7.746 ( -2.627 -4.941 -3.903) 6.823 8.235 ( -1.700 -0.518 -12.556) 12.681 9.054 ( 5.325 -7.448 12.189) 15.245 9.782 ( -6.426 -12.468 -3.362) 14.424 10.173 ( 0.443 -9.263 -2.740) 9.670 10.926 ( -3.065 8.428 8.465) 12.332 11.370 ( 4.731 8.326 -8.701) 12.939 12.128 ( 5.277 -7.608 0.417) 9.268 12.442 ( -3.893 2.975 8.222) 9.572 12.750 ( -3.841 -8.302 -1.987) 9.361 12.887 ( -6.242 -1.329 4.431) 7.769 13.479 ( 0.248 0.498 -6.935) 6.957 20.406 ( 2.407 7.293 11.723) 14.014 20.713 ( -5.810 2.750 0.962) 6.500 21.047 ( 1.163 6.788 -7.184) 9.952 21.109 ( 9.709 -11.922 -10.958) 18.881 21.766 ( -1.129 -1.792 -3.549) 4.133 22.813 ( 0.264 -2.437 3.975) 4.670 23.014 ( 1.414 -2.123 -3.284) 4.158 23.826 ( -9.467 -13.051 9.801) 18.868 ======================= Grid point 32 (20/131) ======================= q-point: (-0.72 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -1.114 -0.411 4.191) 4.355 1.911 ( -1.565 2.109 -0.880) 2.769 2.255 ( 4.070 2.662 -1.996) 5.257 2.521 ( 5.708 4.620 0.133) 7.344 3.114 ( -4.572 8.157 -4.227) 10.261 3.375 ( -8.428 6.661 1.234) 10.813 3.857 ( 4.953 -2.858 2.400) 6.201 3.990 ( -8.024 -7.635 4.808) 12.075 4.832 ( 9.677 -14.019 4.692) 17.669 4.921 ( -7.077 -6.756 -0.492) 9.796 5.090 ( 12.812 0.274 -9.961) 16.231 5.312 ( -6.959 6.962 2.655) 10.195 5.621 ( 4.326 2.377 7.270) 8.787 5.864 ( -2.860 8.596 2.555) 9.413 6.896 ( -2.981 -1.462 -0.568) 3.369 7.312 ( 3.936 1.493 -0.397) 4.228 7.798 ( -9.559 9.621 -0.145) 13.564 8.059 ( 5.632 7.127 3.586) 9.766 9.068 ( -4.877 2.669 -11.132) 12.443 9.488 ( -3.800 8.027 3.256) 9.460 10.211 ( -4.192 -0.407 -0.591) 4.253 11.185 ( 1.192 5.330 -2.868) 6.169 11.624 ( -6.934 -0.666 1.227) 7.073 12.085 ( 11.024 0.208 -2.635) 11.337 12.183 ( -0.911 -2.494 -0.351) 2.679 12.463 ( 0.625 6.638 7.379) 9.945 12.835 ( -0.958 -1.289 -0.928) 1.855 13.601 ( -6.125 2.415 -1.771) 6.818 20.318 ( 8.515 -0.641 3.077) 9.077 20.913 ( -0.201 -4.333 -5.708) 7.169 21.057 ( -8.534 1.910 -6.506) 10.900 21.251 ( -1.600 6.219 2.512) 6.895 21.912 ( -7.928 -11.549 5.824) 15.171 22.719 ( 2.939 2.682 -1.328) 4.194 23.073 ( 7.169 8.136 -2.220) 11.069 23.142 ( -5.681 12.590 3.765) 14.316 ======================= Grid point 33 (21/131) ======================= q-point: ( 0.28 -0.03 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -2.331 -1.012 6.077) 6.587 1.867 ( -8.152 2.835 0.762) 8.664 2.419 ( 5.500 1.421 -9.148) 10.768 2.729 ( 3.315 4.320 -1.406) 5.624 3.010 ( -5.281 -2.853 1.580) 6.207 3.467 ( -8.479 4.511 11.867) 15.266 3.847 ( -1.391 -1.925 4.907) 5.452 3.961 ( 7.570 12.608 -0.715) 14.723 4.626 ( -7.460 -6.837 -1.884) 10.293 4.799 ( 7.782 -7.593 0.406) 10.880 5.350 ( 0.016 1.813 -1.174) 2.159 5.358 ( 5.472 3.782 -6.091) 9.019 5.749 ( 7.140 1.739 5.151) 8.974 5.931 ( -2.937 4.776 3.001) 6.359 6.818 ( -3.032 -0.022 -1.155) 3.245 7.586 ( 9.437 10.584 1.722) 14.284 7.797 ( -7.891 5.156 -3.899) 10.201 8.238 ( 0.004 0.738 11.897) 11.920 9.110 ( -0.725 6.368 -12.019) 13.621 9.610 ( 8.366 2.807 3.355) 9.441 10.264 ( -7.329 17.289 1.147) 18.813 10.985 ( -7.878 -9.083 -9.642) 15.412 11.502 ( -8.235 -2.089 8.469) 11.996 12.187 ( -0.743 5.731 0.197) 5.783 12.285 ( 10.979 -5.313 -3.568) 12.708 12.706 ( 11.290 -4.867 2.376) 12.522 12.795 ( -6.908 15.453 -2.730) 17.146 13.515 ( -3.237 -1.781 1.572) 4.015 20.422 ( 2.400 -4.658 -6.125) 8.060 20.649 ( -0.904 -7.356 -6.794) 10.054 21.063 ( -1.783 1.069 2.378) 3.158 21.306 ( -8.057 7.271 9.259) 14.266 21.738 ( 0.894 1.310 7.655) 7.817 22.814 ( 0.385 3.498 -2.802) 4.498 23.066 ( -3.709 0.894 1.468) 4.088 23.618 ( 11.217 14.192 -6.197) 19.121 ======================= Grid point 34 (22/131) ======================= q-point: (-0.23 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.628 0.731 -5.832) 6.099 1.823 ( 7.115 -1.785 -1.430) 7.473 2.355 ( -6.059 -4.631 3.590) 8.429 2.636 ( -3.815 -5.670 6.002) 9.096 3.017 ( 3.343 -2.352 -1.241) 4.272 3.252 ( 3.765 -14.948 -4.899) 16.174 3.871 ( 1.644 4.381 -2.560) 5.334 3.966 ( -2.871 7.585 -5.484) 9.790 4.747 ( 8.833 6.379 -0.225) 10.898 5.002 ( -5.075 11.241 0.289) 12.337 5.197 ( 0.155 -7.468 -0.601) 7.493 5.384 ( -13.208 1.367 6.650) 14.850 5.717 ( -5.590 -2.297 -4.613) 7.603 5.792 ( 5.022 -8.758 -1.238) 10.171 6.845 ( 1.737 2.646 -0.603) 3.222 7.393 ( -3.000 -7.829 -6.400) 10.547 7.662 ( 2.643 -8.373 9.563) 12.982 8.141 ( -1.768 -9.549 -6.883) 11.903 8.979 ( 3.980 -6.392 8.481) 11.342 9.431 ( 0.797 -15.487 -3.322) 15.859 10.170 ( 0.977 8.818 -1.835) 9.059 11.134 ( 4.344 5.405 8.896) 11.279 11.549 ( 1.541 1.786 -6.942) 7.332 12.092 ( 5.042 -2.842 -0.257) 5.794 12.327 ( -10.837 -5.682 3.678) 12.777 12.444 ( 1.932 -9.519 -0.956) 9.760 12.892 ( -5.340 8.242 -0.490) 9.832 13.497 ( 4.236 -3.406 -0.635) 5.472 20.484 ( -7.493 2.796 0.465) 8.011 20.797 ( 7.684 6.051 10.860) 14.615 20.987 ( 1.998 -5.980 -3.551) 7.236 21.212 ( 2.238 -3.106 -4.216) 5.695 21.797 ( 3.256 8.229 -8.913) 12.560 22.764 ( -1.513 -1.515 2.308) 3.148 22.993 ( 5.234 -6.501 -2.242) 8.642 23.296 ( -11.355 -17.642 5.941) 21.805 ======================= Grid point 35 (23/131) ======================= q-point: ( 0.78 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.889 -0.196 -2.642) 2.795 1.873 ( 2.685 -1.962 -3.156) 4.584 2.232 ( -0.183 1.193 2.476) 2.754 2.415 ( -0.182 -5.179 1.660) 5.441 2.968 ( 3.592 -5.424 -0.722) 6.545 3.255 ( 13.332 -6.097 1.717) 14.760 3.923 ( -5.995 3.649 -1.431) 7.163 4.166 ( 5.542 8.089 -1.472) 9.915 4.969 ( 1.186 1.357 2.257) 2.888 5.062 ( -2.293 -0.138 -3.583) 4.256 5.097 ( -12.976 4.144 6.317) 15.015 5.326 ( 9.767 10.720 -1.893) 14.625 5.522 ( -5.242 -7.564 -5.657) 10.802 5.729 ( 2.593 -4.252 -1.898) 5.330 6.942 ( 1.573 3.446 1.867) 4.223 7.344 ( 1.871 4.041 -5.254) 6.887 7.562 ( 8.217 -12.946 5.082) 16.154 7.929 ( 3.504 -5.737 -1.095) 6.811 8.985 ( 5.718 -6.762 7.356) 11.512 9.239 ( 10.719 -11.436 -3.096) 15.977 10.431 ( -5.751 17.073 1.858) 18.111 10.989 ( -11.052 -12.291 -2.569) 16.728 11.707 ( 9.311 6.691 1.309) 11.540 12.013 ( -4.299 -7.984 2.822) 9.497 12.255 ( 4.870 5.498 -0.212) 7.348 12.315 ( 0.191 -6.897 -3.461) 7.719 12.932 ( -6.164 6.774 -1.828) 9.340 13.517 ( 6.902 -5.834 1.739) 9.203 20.354 ( -9.980 3.015 -4.477) 11.346 20.898 ( -3.649 -3.618 1.080) 5.251 21.021 ( 6.931 -3.919 1.936) 8.195 21.194 ( 7.683 1.081 4.840) 9.144 22.181 ( 6.027 13.882 1.571) 15.215 22.669 ( -4.583 -5.669 -1.237) 7.394 22.802 ( 1.597 -9.562 -4.117) 10.532 23.010 ( 5.216 -5.290 0.548) 7.449 ======================= Grid point 36 (24/131) ======================= q-point: ( 0.28 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -8.122 -2.483 6.000) 10.399 1.736 ( -14.147 7.526 3.838) 16.477 2.447 ( -0.960 -3.392 -12.996) 13.466 2.769 ( -2.913 3.468 -4.270) 6.225 2.952 ( 2.840 -4.276 7.233) 8.869 3.310 ( -10.122 1.194 15.776) 18.782 3.754 ( -6.153 -0.102 8.706) 10.661 4.266 ( -13.237 7.969 -6.622) 16.810 4.448 ( 5.216 -2.225 -0.935) 5.747 4.798 ( 3.816 -4.025 -2.216) 5.973 5.268 ( -7.946 0.781 -1.900) 8.207 5.392 ( -1.902 -3.960 -3.798) 5.807 5.984 ( 6.294 5.085 1.024) 8.156 6.117 ( 15.600 4.105 1.205) 16.176 6.774 ( -2.003 0.838 -2.885) 3.610 7.560 ( -16.884 -4.031 0.258) 17.360 7.951 ( 2.196 11.593 3.218) 12.230 8.206 ( 2.432 -2.249 11.983) 12.433 9.166 ( -9.102 3.564 -12.989) 16.256 9.876 ( 12.719 -1.596 1.863) 12.953 10.500 ( -7.488 17.994 -0.576) 19.498 10.804 ( 8.860 -2.578 -2.413) 9.538 11.247 ( -11.365 -2.458 6.874) 13.508 12.242 ( -4.881 3.481 -0.550) 6.020 12.372 ( 6.004 -3.139 -7.887) 10.398 12.690 ( 8.561 -7.004 -1.753) 11.199 13.123 ( 0.511 14.283 -1.774) 14.401 13.419 ( 1.982 -5.606 8.904) 10.707 20.256 ( 0.506 -7.482 -10.300) 12.741 20.640 ( 3.694 -4.448 1.736) 6.037 20.980 ( -4.634 0.347 5.680) 7.339 21.346 ( -6.746 11.519 8.694) 15.931 21.803 ( -0.916 1.278 2.591) 3.031 22.872 ( -0.922 3.387 -2.932) 4.574 23.013 ( -0.453 -2.139 2.826) 3.573 24.009 ( 7.655 5.132 -10.516) 13.983 ======================= Grid point 38 (25/131) ======================= q-point: (-0.23 -0.03 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 2.264 -1.228 -1.895) 3.198 1.845 ( 0.890 -3.586 -4.270) 5.647 2.374 ( 2.406 6.969 6.698) 9.961 2.529 ( 7.636 5.213 1.908) 9.440 2.958 ( 3.539 -4.318 -5.244) 7.660 3.431 ( 16.133 -5.815 3.020) 17.413 3.960 ( 3.051 4.011 1.097) 5.158 4.211 ( -5.391 -5.850 2.360) 8.298 4.833 ( -10.116 3.138 3.200) 11.064 4.909 ( -7.462 -0.649 -1.655) 7.671 5.151 ( -0.561 -7.424 0.065) 7.446 5.318 ( 2.021 2.727 -0.707) 3.467 5.755 ( 2.121 2.116 -1.438) 3.324 5.804 ( 11.070 12.264 -1.073) 16.557 7.024 ( -1.092 4.026 8.487) 9.457 7.382 ( 8.826 -17.198 -2.087) 19.443 7.620 ( 3.895 10.137 -6.296) 12.553 8.184 ( 17.628 6.358 2.630) 18.924 8.854 ( 5.858 -14.079 2.312) 15.424 9.446 ( 13.790 0.267 -2.069) 13.947 10.310 ( -9.876 -7.480 3.832) 12.968 10.777 ( -8.960 13.215 -6.380) 17.193 11.810 ( 0.980 -5.640 5.302) 7.803 12.079 ( 7.559 8.100 -0.476) 11.090 12.127 ( -1.845 -7.132 -5.402) 9.135 12.497 ( 8.351 3.700 1.521) 9.260 12.908 ( -8.702 5.456 -0.124) 10.272 13.523 ( 5.598 -6.380 0.408) 8.498 20.238 ( -9.035 4.679 -5.550) 11.590 20.712 ( -6.053 -3.582 2.312) 7.404 21.059 ( 6.842 -4.747 -0.813) 8.367 21.423 ( 8.507 2.170 5.288) 10.249 22.119 ( -5.117 -11.048 3.309) 12.617 22.661 ( 1.110 2.897 -3.089) 4.377 23.016 ( 6.570 -4.447 -1.246) 8.031 23.072 ( 13.744 13.835 -0.659) 19.513 ======================= Grid point 39 (26/131) ======================= q-point: (-0.23 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -3.710 -7.479 -6.153) 10.371 1.859 ( 6.008 -4.647 -1.062) 7.669 2.432 ( -4.636 0.284 11.431) 12.339 2.753 ( 5.895 -0.354 3.256) 6.744 2.929 ( 0.153 0.269 -8.549) 8.555 3.497 ( 6.354 -15.790 -1.429) 17.081 3.883 ( -4.930 -11.508 -0.146) 12.521 4.190 ( 6.356 5.209 0.933) 8.271 4.590 ( -17.268 1.725 -1.635) 17.431 4.794 ( -3.751 -0.636 0.697) 3.868 5.000 ( 5.899 -7.458 5.134) 10.806 5.515 ( 1.473 4.084 -0.739) 4.403 5.917 ( 5.550 10.606 2.597) 12.249 6.190 ( 8.000 8.236 1.947) 11.646 6.973 ( -8.643 -3.458 4.816) 10.481 7.223 ( 7.867 -14.523 2.390) 16.689 7.799 ( 3.139 2.019 -14.169) 14.652 8.573 ( -1.487 5.904 3.733) 7.141 8.751 ( 16.306 -14.967 4.919) 22.674 9.569 ( 2.392 0.654 -1.014) 2.680 10.308 ( 11.996 0.849 -2.299) 12.244 10.903 ( -7.946 17.481 -4.181) 19.652 11.762 ( 2.308 -6.856 0.027) 7.234 11.998 ( 4.482 -5.120 -0.050) 6.805 12.327 ( 3.284 5.743 4.124) 7.795 12.742 ( -3.126 6.578 -0.681) 7.315 12.834 ( 2.116 4.287 1.585) 5.037 13.491 ( 1.530 -3.545 -2.749) 4.740 20.199 ( -6.302 7.057 -3.911) 10.237 20.553 ( -3.229 -3.107 0.940) 4.579 21.080 ( 3.179 -3.694 -0.257) 4.880 21.568 ( 6.007 -2.298 3.104) 7.141 21.837 ( -2.703 -9.374 -3.397) 10.331 22.754 ( 2.364 3.308 -0.431) 4.089 23.018 ( 1.650 -2.424 -2.087) 3.600 23.640 ( 12.997 12.441 6.072) 18.989 ======================= Grid point 40 (27/131) ======================= q-point: ( 0.28 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -15.427 8.340 8.543) 19.507 1.434 ( -23.238 -2.913 7.519) 24.597 2.057 ( -14.496 14.749 3.319) 20.945 2.560 ( -9.004 2.078 9.910) 13.550 2.705 ( -8.291 1.199 -4.258) 9.397 3.080 ( 1.591 3.894 3.239) 5.309 3.406 ( -7.509 0.667 7.599) 10.704 3.983 ( -8.753 3.055 3.492) 9.907 4.616 ( 9.041 4.832 1.546) 10.367 4.762 ( -0.520 -3.415 -1.323) 3.699 4.995 ( -1.715 4.987 -11.875) 12.993 5.284 ( -7.616 9.970 0.699) 12.566 6.188 ( -16.840 -7.149 -2.022) 18.406 6.542 ( -5.217 5.862 -1.652) 8.019 6.779 ( 9.829 -5.646 -4.916) 12.355 6.863 ( 2.138 -2.655 -0.484) 3.443 7.993 ( -1.730 -11.637 2.548) 12.038 8.335 ( -4.250 11.689 4.067) 13.086 8.471 ( -4.334 -0.287 5.417) 6.944 9.947 ( 9.609 -10.887 -2.346) 14.709 10.539 ( 1.458 -3.900 6.636) 7.834 11.279 ( -12.217 6.232 -0.717) 13.733 11.549 ( 16.199 0.752 0.291) 16.219 11.989 ( -3.745 -5.178 0.352) 6.400 12.160 ( -13.320 9.956 -24.442) 29.563 12.933 ( 6.840 -2.035 -11.800) 13.791 13.377 ( 10.072 -11.839 14.286) 21.112 13.558 ( 8.551 1.736 14.912) 17.277 20.415 ( -2.002 -2.446 3.235) 4.523 20.485 ( 11.126 5.117 2.589) 12.517 20.966 ( -3.359 0.626 0.264) 3.427 21.351 ( -10.433 -6.909 1.475) 12.600 21.567 ( -3.358 7.116 1.439) 7.999 22.875 ( -0.754 -2.493 -0.941) 2.769 23.007 ( 1.709 0.328 1.515) 2.308 24.049 ( -0.671 0.447 -18.516) 18.533 ======================= Grid point 41 (28/131) ======================= q-point: ( 0.28 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -6.013 14.398 14.605) 21.372 1.157 ( -5.655 14.158 14.052) 20.734 2.217 ( -7.460 15.308 -4.347) 17.575 2.625 ( -2.232 14.918 11.281) 18.836 2.666 ( -3.392 6.463 -2.880) 7.847 3.097 ( -2.820 -1.856 5.607) 6.545 3.403 ( -1.327 8.222 7.552) 11.243 3.901 ( -2.076 2.424 0.899) 3.316 4.626 ( -3.564 -4.363 -1.423) 5.810 4.778 ( 4.436 1.381 -0.515) 4.675 5.045 ( -9.753 4.133 -8.098) 13.333 5.302 ( -11.114 3.778 0.563) 11.752 5.956 ( 7.778 7.265 0.651) 10.663 6.703 ( -1.374 8.622 -5.166) 10.144 6.826 ( 0.257 4.551 -2.770) 5.334 6.851 ( 6.231 -10.169 -1.875) 12.073 7.896 ( 6.527 -0.504 1.849) 6.803 8.407 ( 0.444 -5.914 14.571) 15.732 8.513 ( -6.883 17.750 -3.764) 19.407 10.169 ( 21.286 -0.039 -4.043) 21.666 10.485 ( 1.055 -5.831 6.977) 9.154 10.933 ( -15.834 -0.410 -0.023) 15.839 11.542 ( 0.181 -17.950 1.344) 18.001 11.985 ( 3.481 6.402 -3.282) 7.992 12.225 ( -7.235 12.889 -21.237) 25.875 12.980 ( 1.594 -3.053 -11.669) 12.166 13.322 ( 8.878 -11.341 10.856) 18.036 13.624 ( 1.428 -7.002 18.683) 20.003 20.343 ( -0.440 -2.937 -2.287) 3.748 20.698 ( -5.567 1.309 7.745) 9.627 20.884 ( 0.642 -0.462 0.675) 1.039 21.175 ( 5.880 0.337 4.222) 7.247 21.637 ( -4.101 7.262 0.206) 8.342 22.861 ( 2.000 -0.026 -1.519) 2.512 23.020 ( -0.003 -0.705 1.230) 1.418 24.113 ( -0.176 3.863 -19.747) 20.122 ======================= Grid point 42 (29/131) ======================= q-point: (-0.23 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -5.357 -13.308 -6.679) 15.824 1.788 ( 1.037 -12.686 -2.758) 13.023 2.259 ( -4.498 -7.070 8.588) 11.999 2.725 ( 0.579 -6.111 -0.051) 6.139 2.936 ( -0.119 -6.021 -10.163) 11.813 3.121 ( -5.376 -13.515 -1.955) 14.676 3.599 ( -1.318 -11.160 -4.919) 12.267 4.166 ( -5.422 -8.862 -4.158) 11.190 4.456 ( -2.647 6.292 0.752) 6.867 4.761 ( 1.870 0.740 0.299) 2.033 5.041 ( 3.220 -3.256 12.323) 13.147 5.419 ( -7.686 -5.502 -1.082) 9.514 6.323 ( 2.979 5.683 6.092) 8.847 6.454 ( 0.981 14.330 0.062) 14.364 6.674 ( 0.518 -6.308 -0.331) 6.338 7.040 ( 3.348 -15.887 0.050) 16.236 7.977 ( 10.457 3.086 -7.064) 12.992 8.408 ( -10.700 -3.664 -4.545) 12.189 8.701 ( 5.530 -16.596 5.505) 18.339 9.777 ( 10.210 8.032 2.392) 13.209 10.523 ( 7.345 -0.174 -4.549) 8.642 11.176 ( -3.402 20.316 -2.642) 20.768 11.504 ( -10.466 -10.518 0.108) 14.838 12.069 ( 6.696 -4.143 0.545) 7.893 12.349 ( -3.810 -5.834 14.088) 15.717 12.756 ( -0.498 10.816 7.637) 13.250 13.183 ( 11.012 9.051 -12.870) 19.205 13.460 ( -2.652 1.839 -5.385) 6.278 20.274 ( -3.173 9.641 -0.547) 10.164 20.468 ( 1.052 -2.972 -2.256) 3.877 21.028 ( -1.543 -3.107 -0.971) 3.603 21.571 ( 6.484 -10.651 -0.994) 12.509 21.622 ( -6.591 -2.855 -2.457) 7.591 22.872 ( 4.098 1.572 0.573) 4.426 22.987 ( -1.696 -0.293 -2.606) 3.124 24.003 ( 6.203 4.707 12.733) 14.925 ======================= Grid point 43 (30/131) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.049 -7.889 -3.991) 8.842 1.940 ( -4.180 -5.852 -2.615) 7.652 2.181 ( 1.669 -0.417 3.254) 3.680 2.781 ( -2.280 -3.872 1.326) 4.685 2.975 ( 3.578 3.679 -4.136) 6.591 3.744 ( -4.306 -14.165 -10.934) 18.405 3.911 ( 3.032 -7.550 -7.164) 10.840 4.166 ( -3.832 -5.108 7.158) 9.593 4.339 ( 5.669 6.197 3.601) 9.138 4.753 ( -0.887 0.341 -0.384) 1.025 5.082 ( 6.491 -10.060 4.276) 12.712 5.389 ( -5.569 -4.746 0.755) 7.356 6.064 ( 1.985 11.005 3.876) 11.835 6.148 ( -3.765 9.940 2.032) 10.821 6.789 ( -2.172 -5.276 -2.920) 6.409 7.500 ( 5.069 -15.713 -1.291) 16.561 8.037 ( 1.986 7.974 0.070) 8.217 8.517 ( -2.666 -3.271 -6.328) 7.606 8.925 ( 0.611 -8.154 5.843) 10.050 9.737 ( 7.638 2.912 4.399) 9.283 10.660 ( -4.342 4.508 -4.220) 7.548 10.913 ( -0.915 11.926 -4.437) 12.757 11.445 ( -10.729 -14.134 -2.476) 17.916 12.194 ( -1.033 -8.112 4.224) 9.203 12.275 ( 0.490 0.035 2.016) 2.075 12.430 ( 6.842 7.745 7.501) 12.770 13.330 ( -9.927 2.114 1.255) 10.227 13.478 ( 10.287 8.654 -9.100) 16.234 20.081 ( -2.519 4.388 -0.411) 5.076 20.568 ( 2.897 -0.742 1.735) 3.457 21.091 ( 0.119 -0.456 -4.473) 4.498 21.609 ( -1.645 -1.890 -0.453) 2.546 21.897 ( 1.048 -5.458 -4.347) 7.056 22.923 ( -4.887 0.744 0.213) 4.948 22.994 ( 4.145 0.243 -1.840) 4.541 23.782 ( 1.001 -1.736 10.653) 10.839 ======================= Grid point 44 (31/131) ======================= q-point: ( 0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -0.201 22.285 -0.000) 22.286 0.589 ( 33.487 29.202 0.000) 44.431 1.026 ( -19.515 50.151 -0.000) 53.814 2.486 ( -1.355 -2.201 0.000) 2.584 2.568 ( 1.640 4.778 -0.000) 5.052 3.060 ( 0.180 -1.033 0.000) 1.049 3.064 ( -0.160 8.490 -0.000) 8.492 3.828 ( -0.863 3.255 -0.000) 3.368 4.676 ( 4.151 -7.680 0.000) 8.730 4.879 ( 0.135 0.180 -0.000) 0.225 4.903 ( -4.754 5.791 -0.000) 7.492 4.940 ( 0.157 6.140 -0.000) 6.142 5.909 ( 3.860 13.241 -0.000) 13.793 6.595 ( -0.721 1.649 -0.000) 1.799 6.943 ( -2.569 -0.937 -0.000) 2.734 7.225 ( -0.227 -10.088 0.000) 10.091 8.024 ( 6.440 0.014 0.000) 6.440 8.087 ( -8.433 3.727 -0.000) 9.220 8.172 ( 1.982 7.477 -0.000) 7.735 10.434 ( -13.651 -7.768 -0.000) 15.707 10.520 ( -4.275 0.517 -0.000) 4.306 10.812 ( 22.300 6.455 0.000) 23.216 11.826 ( -0.027 -10.828 0.000) 10.828 11.967 ( 0.059 3.190 -0.000) 3.190 12.801 ( -1.984 -0.193 -0.000) 1.994 12.809 ( -0.136 -0.902 0.000) 0.912 13.263 ( -0.452 -3.067 0.000) 3.100 13.458 ( 0.162 -2.101 0.000) 2.107 20.260 ( -0.104 2.426 -0.000) 2.429 20.763 ( -1.442 -10.751 0.000) 10.847 20.880 ( 1.663 0.779 0.000) 1.837 21.247 ( 5.248 1.755 0.000) 5.534 21.361 ( -3.824 9.812 -0.000) 10.531 22.855 ( 0.059 1.114 -0.000) 1.115 23.056 ( -0.104 -2.038 0.000) 2.040 24.389 ( -1.952 -0.803 -0.000) 2.111 ======================= Grid point 45 (32/131) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 9.661 16.408 -0.000) 19.041 1.334 ( -8.987 29.604 -0.000) 30.938 2.020 ( 27.357 27.639 -0.000) 38.889 2.416 ( -2.373 2.150 -0.000) 3.203 2.776 ( 4.120 5.820 -0.000) 7.131 3.053 ( 0.205 0.626 -0.000) 0.658 3.308 ( 4.632 10.511 -0.000) 11.486 3.943 ( 2.670 7.670 -0.000) 8.121 4.592 ( 4.189 -8.173 0.000) 9.184 4.773 ( -4.968 -0.383 -0.000) 4.983 5.171 ( 10.745 1.394 0.000) 10.835 5.250 ( 9.417 8.428 0.000) 12.637 6.205 ( -4.308 19.544 -0.000) 20.013 6.587 ( -2.916 1.991 -0.000) 3.531 6.848 ( -8.362 -18.035 0.000) 19.879 6.859 ( -0.430 1.936 -0.000) 1.983 7.912 ( -11.227 -1.357 -0.000) 11.308 8.248 ( 6.674 6.032 0.000) 8.996 8.472 ( 7.665 12.130 -0.000) 14.349 9.971 ( -11.424 -9.495 -0.000) 14.855 10.468 ( -4.325 -0.501 -0.000) 4.354 11.287 ( 5.149 12.158 -0.000) 13.203 11.543 ( 0.613 -17.540 0.000) 17.551 11.984 ( -5.684 4.268 -0.000) 7.108 12.744 ( -2.177 -4.024 0.000) 4.575 12.854 ( 8.407 -2.265 0.000) 8.707 13.115 ( -3.950 -6.985 0.000) 8.025 13.394 ( -2.736 -1.222 -0.000) 2.996 20.340 ( 1.984 3.884 -0.000) 4.361 20.495 ( -0.681 -11.306 0.000) 11.327 20.950 ( 0.331 3.199 -0.000) 3.216 21.348 ( -5.684 8.911 -0.000) 10.570 21.555 ( 6.851 3.959 0.000) 7.913 22.897 ( 0.577 2.059 -0.000) 2.139 22.977 ( -1.604 -3.893 0.000) 4.211 24.283 ( -3.430 -5.580 0.000) 6.550 ======================= Grid point 46 (33/131) ======================= q-point: (-0.45 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 5.077 -9.715 -10.066) 14.883 1.680 ( -2.675 -9.958 -10.077) 14.418 2.191 ( 1.731 -2.508 6.303) 7.001 2.631 ( -3.030 -4.406 3.472) 6.376 3.159 ( 4.231 0.112 -1.796) 4.598 3.355 ( -2.824 -12.393 -17.237) 21.417 3.780 ( 1.988 -13.811 -6.980) 15.602 3.989 ( 2.131 -3.340 -1.250) 4.155 4.482 ( 1.080 3.270 2.220) 4.098 4.774 ( 0.547 -0.590 3.236) 3.334 5.034 ( 2.964 -6.942 3.512) 8.325 5.298 ( 7.449 -1.111 3.614) 8.354 6.079 ( -9.043 0.187 -1.683) 9.200 6.345 ( -5.832 13.856 7.750) 16.914 6.702 ( 1.736 -0.612 1.179) 2.186 7.224 ( 3.036 -19.746 -2.090) 20.087 8.020 ( -7.598 -4.531 -3.750) 9.609 8.476 ( 0.780 -0.659 3.083) 3.247 8.770 ( 1.592 -5.172 -6.903) 8.771 9.978 ( -3.000 4.736 8.490) 10.174 10.549 ( -9.351 5.683 -9.132) 14.252 10.980 ( -2.623 3.357 -1.256) 4.441 11.295 ( 6.689 6.139 -4.890) 10.313 12.000 ( 1.192 -10.307 9.308) 13.938 12.193 ( -1.259 -5.846 2.787) 6.597 12.684 ( 3.300 1.724 11.010) 11.623 13.235 ( -11.144 11.079 -3.261) 16.049 13.774 ( 1.016 8.330 -10.083) 13.118 20.152 ( -0.032 4.754 4.461) 6.519 20.670 ( 6.383 2.066 4.296) 7.967 21.126 ( 3.887 0.505 -11.831) 12.463 21.422 ( -9.642 -5.760 -9.424) 14.662 21.802 ( 2.343 -6.751 -5.032) 8.740 22.813 ( -5.666 0.773 1.868) 6.016 23.057 ( 0.941 -1.393 -1.272) 2.108 23.731 ( -1.102 -1.429 19.653) 19.735 ======================= Grid point 47 (34/131) ======================= q-point: (-0.45 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 6.769 -8.364 -11.794) 15.965 1.626 ( 11.378 -1.729 -9.797) 15.114 2.173 ( 1.936 -2.480 3.951) 5.050 2.531 ( 0.307 -1.868 7.470) 7.706 3.020 ( 6.353 -7.521 -10.804) 14.617 3.311 ( 1.429 -5.973 -8.375) 10.385 3.580 ( 2.706 -4.259 -5.601) 7.539 4.126 ( 11.069 -0.790 -5.799) 12.521 4.576 ( -1.135 5.652 4.993) 7.626 4.716 ( 0.541 -4.021 4.884) 6.349 4.921 ( -4.186 -10.120 4.830) 11.969 5.410 ( 6.229 -3.745 2.393) 7.652 5.964 ( 0.428 4.768 3.342) 5.839 6.448 ( -9.666 13.114 5.778) 17.285 6.795 ( 4.754 1.315 -0.096) 4.934 6.911 ( 3.964 -16.159 -4.261) 17.175 7.878 ( 1.971 0.704 -0.353) 2.122 8.399 ( -0.046 -4.411 10.215) 11.127 8.761 ( -1.461 0.123 -17.578) 17.639 9.768 ( -11.249 1.377 3.509) 11.864 10.624 ( -5.930 8.779 -10.809) 15.135 11.268 ( 15.523 6.573 -0.375) 16.862 11.518 ( -3.923 5.198 -1.218) 6.625 11.875 ( 3.578 -1.459 4.531) 5.955 12.051 ( 4.498 -10.416 8.530) 14.194 12.641 ( -3.625 -2.570 13.388) 14.107 13.301 ( -10.188 14.896 -5.990) 19.015 13.807 ( -8.196 2.408 -8.356) 11.950 20.252 ( 1.320 3.960 5.837) 7.176 20.843 ( 0.919 -1.057 3.131) 3.430 21.009 ( -6.004 -7.047 -16.635) 19.038 21.322 ( 5.078 5.320 -6.683) 9.938 21.734 ( 3.373 -5.600 -3.802) 7.563 22.773 ( -1.531 3.537 2.095) 4.387 23.027 ( 0.530 -0.914 1.607) 1.923 23.692 ( -1.279 -0.902 16.880) 16.952 ======================= Grid point 48 (35/131) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 7.149 9.442 -0.000) 11.843 1.633 ( -7.316 17.224 -0.000) 18.713 2.513 ( 1.440 7.879 -0.000) 8.009 2.764 ( 14.411 2.597 0.000) 14.644 2.836 ( -3.761 -1.323 -0.000) 3.987 3.151 ( -2.165 12.433 -0.000) 12.620 3.635 ( 6.470 11.791 -0.000) 13.450 4.146 ( -3.227 7.418 -0.000) 8.090 4.616 ( 12.323 -2.924 0.000) 12.666 4.771 ( 2.779 2.676 0.000) 3.858 5.113 ( -3.175 -9.642 0.000) 10.152 5.498 ( 1.798 3.749 -0.000) 4.158 6.255 ( -14.332 6.008 -0.000) 15.540 6.277 ( -9.925 -18.758 0.000) 21.222 6.851 ( 11.774 3.916 0.000) 12.408 7.073 ( 7.491 16.354 -0.000) 17.988 7.626 ( -10.517 -4.924 -0.000) 11.613 8.441 ( -4.966 11.148 -0.000) 12.205 8.782 ( 5.484 0.019 0.000) 5.484 9.628 ( -6.655 -6.539 -0.000) 9.330 10.304 ( -8.392 -2.707 -0.000) 8.817 11.215 ( 2.571 -16.793 0.000) 16.988 11.540 ( -3.506 12.822 -0.000) 13.293 11.928 ( -6.034 2.827 -0.000) 6.664 12.560 ( -3.462 -8.687 0.000) 9.351 12.842 ( -6.915 -5.765 -0.000) 9.003 13.007 ( 12.261 -7.091 0.000) 14.164 13.340 ( -5.139 4.276 -0.000) 6.686 20.330 ( 5.071 -9.879 0.000) 11.104 20.487 ( 4.863 4.032 0.000) 6.317 20.992 ( -3.944 4.230 -0.000) 5.783 21.424 ( -7.450 12.249 -0.000) 14.337 21.707 ( 3.794 1.067 0.000) 3.941 22.853 ( -1.678 -5.250 0.000) 5.512 22.939 ( -1.003 2.276 -0.000) 2.487 23.988 ( -8.564 -13.001 0.000) 15.568 ======================= Grid point 49 (36/131) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 2.041 5.629 -0.000) 5.988 1.730 ( -4.738 5.433 -0.000) 7.209 2.582 ( -8.474 -5.446 -0.000) 10.073 2.737 ( 0.705 6.606 -0.000) 6.644 2.808 ( 3.222 -13.015 0.000) 13.408 3.263 ( -13.924 11.421 -0.000) 18.009 4.027 ( 7.232 12.973 -0.000) 14.853 4.039 ( -7.509 -2.303 -0.000) 7.854 4.827 ( 0.249 7.973 -0.000) 7.976 4.904 ( 4.580 0.768 0.000) 4.644 5.060 ( 15.384 -4.881 0.000) 16.140 5.441 ( -4.997 -4.743 -0.000) 6.889 5.852 ( -4.709 -8.465 0.000) 9.686 6.002 ( -12.373 -5.755 -0.000) 13.647 7.029 ( -4.221 11.176 -0.000) 11.947 7.337 ( -7.596 -5.945 -0.000) 9.646 7.511 ( 10.825 1.167 0.000) 10.888 8.369 ( -26.173 4.145 -0.000) 26.499 8.695 ( 4.554 -5.581 0.000) 7.203 9.432 ( -9.062 -1.748 -0.000) 9.229 10.189 ( 2.393 4.637 -0.000) 5.218 11.040 ( 9.466 -15.115 0.000) 17.835 11.684 ( -5.661 11.861 -0.000) 13.143 11.927 ( -0.715 5.373 -0.000) 5.420 12.275 ( -5.713 -10.918 0.000) 12.322 12.610 ( -4.849 -5.509 0.000) 7.339 13.074 ( 9.475 -8.420 0.000) 12.676 13.357 ( -6.561 8.517 -0.000) 10.751 20.300 ( 9.342 -7.835 0.000) 12.192 20.681 ( 7.360 3.259 0.000) 8.049 20.955 ( -8.180 4.408 -0.000) 9.292 21.470 ( -7.555 4.387 -0.000) 8.736 21.848 ( 1.987 11.472 -0.000) 11.643 22.717 ( -1.126 -5.641 0.000) 5.752 22.941 ( -3.554 2.648 -0.000) 4.432 23.448 ( -12.674 -19.384 0.000) 23.160 ======================= Grid point 50 (37/131) ======================= q-point: (-0.45 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 10.478 -4.880 -7.492) 13.774 1.854 ( 9.477 -0.756 -2.811) 9.914 2.157 ( 1.463 -1.894 0.642) 2.478 2.628 ( 7.129 3.314 6.462) 10.176 3.106 ( -5.518 -5.282 -6.321) 9.915 3.317 ( 22.227 4.192 -12.854) 26.016 3.697 ( 8.026 1.246 -3.976) 9.043 4.263 ( 5.509 -7.175 -3.799) 9.812 4.408 ( -8.698 -4.558 4.146) 10.660 4.746 ( 5.010 2.003 9.632) 11.040 4.795 ( 0.942 4.048 -0.293) 4.167 5.415 ( 6.380 -8.110 1.544) 10.433 6.133 ( -5.410 9.879 10.544) 15.429 6.414 ( -12.232 2.558 3.846) 13.075 6.727 ( 7.061 -6.917 -4.545) 10.879 7.078 ( 14.679 4.286 -3.346) 15.654 8.043 ( 0.217 5.976 0.762) 6.029 8.431 ( 8.163 0.566 6.849) 10.671 8.735 ( 2.877 -0.236 -12.534) 12.862 9.694 ( -7.164 7.250 5.289) 11.483 10.677 ( -3.339 6.749 -9.573) 12.180 11.250 ( -16.098 -2.958 -3.875) 16.820 11.507 ( 10.430 -12.986 -0.456) 16.663 12.028 ( 6.218 0.657 4.500) 7.703 12.127 ( 10.930 2.506 5.539) 12.507 12.517 ( -6.517 0.614 13.303) 14.826 13.390 ( -9.895 13.991 -6.933) 18.486 13.604 ( -9.012 -3.687 -6.358) 11.629 20.298 ( -4.864 -2.212 -0.222) 5.348 20.526 ( -3.628 -4.157 -4.017) 6.825 21.065 ( 2.720 0.643 -3.447) 4.438 21.541 ( 3.819 4.790 2.097) 6.475 21.745 ( 7.228 -2.241 -6.131) 9.739 22.877 ( -0.003 6.584 -0.828) 6.636 23.029 ( 0.787 -2.710 -0.904) 2.963 23.684 ( 1.113 2.349 14.968) 15.192 ======================= Grid point 52 (38/131) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -2.065 -0.553 -0.000) 2.138 1.724 ( -1.210 4.805 -0.000) 4.955 2.356 ( -3.946 0.773 -0.000) 4.021 2.449 ( -6.487 -13.306 0.000) 14.803 2.859 ( 0.731 3.481 -0.000) 3.557 3.150 ( -13.977 6.913 -0.000) 15.593 3.962 ( 4.070 -1.205 0.000) 4.245 4.250 ( -3.902 0.599 -0.000) 3.947 4.980 ( 1.843 4.404 -0.000) 4.774 4.990 ( 2.861 2.101 0.000) 3.549 5.272 ( 0.697 -4.211 0.000) 4.268 5.320 ( 11.548 2.305 0.000) 11.776 5.562 ( -10.615 -13.270 0.000) 16.993 5.684 ( -4.361 -0.999 -0.000) 4.473 7.102 ( -4.191 -6.317 0.000) 7.581 7.148 ( -5.847 9.423 -0.000) 11.089 7.574 ( 3.179 -2.785 0.000) 4.226 7.873 ( -15.974 -0.725 -0.000) 15.991 8.822 ( 1.595 9.265 -0.000) 9.401 9.145 ( -13.488 -1.441 -0.000) 13.564 10.637 ( 15.108 16.730 -0.000) 22.542 10.859 ( 5.627 -20.323 0.000) 21.087 11.820 ( -4.323 12.802 -0.000) 13.513 11.889 ( -8.787 -9.023 0.000) 12.594 12.147 ( 6.382 5.894 0.000) 8.687 12.397 ( -5.526 -6.944 0.000) 8.875 13.069 ( 8.003 -8.812 0.000) 11.904 13.388 ( -7.814 8.559 -0.000) 11.590 20.378 ( 11.513 -5.309 0.000) 12.678 20.833 ( -6.963 4.237 -0.000) 8.151 20.929 ( 5.270 3.912 0.000) 6.563 21.309 ( -9.902 -1.441 -0.000) 10.007 22.256 ( 5.533 20.893 -0.000) 21.614 22.516 ( -7.025 -13.208 0.000) 14.960 22.877 ( -4.457 -12.946 0.000) 13.692 22.922 ( -4.392 4.166 -0.000) 6.053 ======================= Grid point 53 (39/131) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.782 -1.921 0.000) 2.074 1.755 ( -4.577 2.795 -0.000) 5.363 2.295 ( 3.422 2.454 0.000) 4.211 2.568 ( 10.521 12.264 -0.000) 16.159 2.939 ( 1.242 4.430 -0.000) 4.601 2.985 ( -12.352 2.470 -0.000) 12.597 3.997 ( -6.108 -8.622 0.000) 10.567 4.058 ( 7.267 -5.953 0.000) 9.394 4.890 ( -5.687 -7.709 0.000) 9.579 5.046 ( -3.611 2.747 -0.000) 4.537 5.241 ( 4.944 -8.528 0.000) 9.858 5.462 ( 10.519 5.450 0.000) 11.847 5.563 ( 7.866 3.045 0.000) 8.435 5.635 ( -4.933 5.550 -0.000) 7.426 6.922 ( -1.091 -6.174 0.000) 6.270 7.189 ( -0.132 4.399 -0.000) 4.401 7.693 ( 4.510 7.288 -0.000) 8.571 7.817 ( -3.991 9.851 -0.000) 10.629 8.948 ( -9.245 5.363 -0.000) 10.688 9.082 ( 3.047 12.318 -0.000) 12.689 10.463 ( -3.276 -20.098 0.000) 20.363 11.179 ( 6.529 11.494 -0.000) 13.219 11.572 ( -3.954 -8.882 0.000) 9.723 12.031 ( -3.765 12.017 -0.000) 12.593 12.152 ( -2.304 -2.608 0.000) 3.480 12.394 ( 6.995 3.873 0.000) 7.996 13.052 ( 7.870 -8.831 0.000) 11.829 13.388 ( -7.505 7.008 -0.000) 10.268 20.527 ( 11.777 -3.369 0.000) 12.249 20.749 ( -11.527 7.903 -0.000) 13.976 21.067 ( -10.865 -1.895 -0.000) 11.030 21.143 ( 8.407 0.775 0.000) 8.443 21.974 ( -6.980 -19.112 0.000) 20.347 22.745 ( -0.981 15.431 -0.000) 15.462 22.790 ( 3.334 -1.341 0.000) 3.593 23.039 ( 6.565 13.285 -0.000) 14.818 ======================= Grid point 54 (40/131) ======================= q-point: ( 0.55 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -0.132 2.505 -1.567) 2.957 1.953 ( 3.519 -4.097 -1.772) 5.684 2.216 ( -1.226 2.884 3.118) 4.421 2.785 ( 3.130 -3.240 0.141) 4.507 2.991 ( -4.109 4.389 -2.542) 6.528 3.841 ( 7.032 -6.570 -6.490) 11.608 3.969 ( -2.576 -0.686 -2.655) 3.762 4.135 ( -2.031 -7.069 1.007) 7.424 4.370 ( -3.712 9.512 0.878) 10.249 4.749 ( 1.414 0.232 0.789) 1.635 5.218 ( -8.876 -0.846 1.576) 9.054 5.422 ( 8.154 -0.324 0.968) 8.218 5.888 ( -2.956 -3.916 -1.538) 5.142 6.044 ( 4.358 0.006 -1.172) 4.513 6.826 ( 2.768 -1.460 -1.870) 3.645 7.671 ( -9.515 -3.949 1.282) 10.382 7.904 ( 2.625 -0.605 0.628) 2.766 8.521 ( 2.255 -3.019 -5.818) 6.932 8.970 ( -0.247 -2.787 2.395) 3.684 9.704 ( -8.595 -2.517 -0.766) 8.988 10.622 ( 9.814 -8.818 3.875) 13.751 10.647 ( -1.700 -1.720 3.337) 4.121 11.644 ( 10.330 1.537 -5.446) 11.778 12.149 ( -5.923 -0.631 0.626) 5.989 12.300 ( 1.822 -3.445 -0.327) 3.911 12.500 ( -4.065 11.519 2.223) 12.416 13.083 ( 3.025 -15.752 4.460) 16.648 13.508 ( -3.431 5.142 -4.290) 7.524 20.094 ( 2.344 5.421 5.635) 8.163 20.577 ( -2.772 0.311 0.077) 2.791 21.110 ( -0.285 1.165 -2.415) 2.697 21.583 ( 1.617 -4.452 -3.576) 5.935 21.937 ( -0.749 -1.191 -4.562) 4.775 22.831 ( 1.598 -5.089 3.029) 6.133 23.059 ( -0.857 3.426 -0.945) 3.655 23.710 ( -1.047 -8.713 3.687) 9.518 ======================= Grid point 56 (41/131) ======================= q-point: ( 0.55 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -5.803 3.516 1.691) 6.993 1.893 ( -0.892 -4.877 2.923) 5.756 2.257 ( -1.428 3.533 -3.369) 5.086 2.671 ( -4.640 -5.679 -3.864) 8.289 3.065 ( 4.139 1.032 4.996) 6.570 3.550 ( -10.742 -9.817 2.667) 14.794 3.862 ( -8.242 2.061 -2.006) 8.729 4.113 ( 9.813 -4.123 -6.820) 12.642 4.615 ( 1.800 16.918 -0.273) 17.016 4.814 ( 1.009 2.833 0.203) 3.014 4.914 ( -15.600 -1.497 1.689) 15.763 5.516 ( 4.473 -4.198 -0.947) 6.207 5.820 ( 3.424 -4.443 -6.506) 8.590 6.119 ( 6.640 -8.030 -4.426) 11.321 6.886 ( 1.958 3.357 -2.015) 4.377 7.269 ( -14.378 -5.052 5.038) 16.051 7.972 ( 4.520 -1.612 0.829) 4.870 8.388 ( -3.195 -12.193 -10.217) 16.225 8.825 ( -4.282 -1.000 10.596) 11.472 9.569 ( -0.600 0.024 -1.261) 1.397 10.370 ( 5.063 -14.743 3.254) 15.925 11.024 ( 14.377 6.494 6.693) 17.137 11.749 ( 0.255 -4.394 -1.729) 4.729 12.003 ( -9.477 0.569 0.731) 9.522 12.235 ( 0.858 -2.377 -3.921) 4.664 12.644 ( -5.365 9.985 -8.007) 13.878 12.883 ( 9.817 -14.911 4.499) 18.411 13.559 ( 2.572 0.981 2.972) 4.051 20.305 ( 2.269 5.384 3.974) 7.066 20.560 ( 1.656 5.003 3.791) 6.492 21.084 ( -1.969 -2.380 0.153) 3.092 21.482 ( -1.023 -6.781 -4.541) 8.225 21.884 ( -3.474 1.888 -0.629) 4.004 22.766 ( 0.361 -3.828 0.804) 3.928 23.074 ( -1.531 -0.825 2.802) 3.298 23.500 ( 4.542 -11.816 -5.682) 13.876 ======================= Grid point 57 (42/131) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -2.441 -2.606 0.000) 3.570 1.623 ( -7.986 -3.984 -0.000) 8.925 2.562 ( 8.027 8.321 -0.000) 11.562 2.763 ( -10.901 -1.574 -0.000) 11.014 2.900 ( 9.321 -2.916 0.000) 9.766 3.152 ( -2.858 12.215 -0.000) 12.545 3.886 ( -4.238 -11.575 0.000) 12.326 3.900 ( 6.258 0.903 0.000) 6.323 4.621 ( -1.614 -7.967 0.000) 8.129 4.992 ( -5.267 -0.689 -0.000) 5.312 5.316 ( 8.632 -2.893 0.000) 9.104 5.556 ( -11.168 6.160 -0.000) 12.754 5.786 ( 9.085 1.116 0.000) 9.153 5.827 ( 12.482 6.292 0.000) 13.978 6.840 ( 1.468 -2.575 0.000) 2.964 7.379 ( 3.917 9.407 -0.000) 10.190 7.789 ( -15.070 -0.013 -0.000) 15.070 7.981 ( 10.688 4.554 0.000) 11.618 9.004 ( -4.613 12.368 -0.000) 13.201 9.422 ( 4.802 13.627 -0.000) 14.448 10.127 ( -0.174 -5.563 0.000) 5.565 11.253 ( -1.560 -5.193 0.000) 5.422 11.375 ( 0.706 -9.093 0.000) 9.121 11.984 ( -5.918 6.120 -0.000) 8.514 12.433 ( 2.745 14.924 -0.000) 15.174 12.572 ( 7.358 1.075 0.000) 7.436 13.044 ( 8.881 -7.717 0.000) 11.765 13.363 ( -6.730 4.157 -0.000) 7.911 20.673 ( 7.605 -3.603 0.000) 8.415 20.696 ( -12.269 9.711 -0.000) 15.647 20.829 ( -8.402 -1.082 -0.000) 8.471 21.158 ( 5.226 -12.564 0.000) 13.608 21.715 ( 2.329 -2.241 0.000) 3.232 22.853 ( 2.893 0.480 0.000) 2.933 22.861 ( -3.289 6.576 -0.000) 7.353 23.608 ( 11.421 18.977 -0.000) 22.149 ======================= Grid point 58 (43/131) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -11.995 -10.457 -0.000) 15.913 1.397 ( -8.757 -6.283 -0.000) 10.777 2.524 ( -8.763 -0.954 -0.000) 8.815 2.794 ( 2.933 1.573 0.000) 3.328 2.932 ( -0.177 -5.797 0.000) 5.800 3.081 ( -10.557 -1.359 -0.000) 10.644 3.578 ( -7.127 -6.989 -0.000) 9.982 3.972 ( -2.221 -1.338 -0.000) 2.593 4.635 ( 5.758 -1.458 0.000) 5.940 4.821 ( -6.791 -1.306 -0.000) 6.915 5.358 ( 4.038 -6.566 0.000) 7.709 5.442 ( -4.526 0.993 -0.000) 4.633 5.915 ( 1.131 2.189 -0.000) 2.464 6.319 ( 17.557 11.672 0.000) 21.083 6.834 ( 1.587 -1.981 0.000) 2.538 7.255 ( -24.988 -7.557 -0.000) 26.106 7.636 ( 2.389 9.801 -0.000) 10.088 8.199 ( 5.864 -0.086 0.000) 5.865 9.026 ( -13.335 1.474 -0.000) 13.416 9.786 ( 1.009 18.483 -0.000) 18.511 10.229 ( 7.411 3.593 0.000) 8.236 11.194 ( 1.449 -12.341 0.000) 12.426 11.216 ( 12.365 -3.977 0.000) 12.989 12.009 ( -6.693 7.449 -0.000) 10.014 12.686 ( 0.129 7.388 -0.000) 7.389 12.758 ( 9.440 0.608 0.000) 9.459 13.151 ( 9.227 0.556 0.000) 9.244 13.273 ( -6.611 0.444 -0.000) 6.626 20.541 ( -7.216 -3.678 -0.000) 8.099 20.625 ( -6.220 2.504 -0.000) 6.705 20.831 ( 4.216 -0.937 0.000) 4.318 21.072 ( 5.193 -4.524 0.000) 6.887 21.752 ( -1.088 0.677 -0.000) 1.281 22.896 ( 0.710 0.031 0.000) 0.710 22.927 ( -0.089 3.621 -0.000) 3.622 24.114 ( 7.052 12.608 -0.000) 14.446 ======================= Grid point 59 (44/131) ======================= q-point: ( 0.55 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -4.935 2.256 4.636) 7.137 1.785 ( -3.479 0.827 8.122) 8.874 2.280 ( -2.395 2.774 -8.494) 9.251 2.519 ( 0.714 -3.005 -4.619) 5.556 3.108 ( 3.504 0.321 3.388) 4.884 3.381 ( 0.412 -1.307 8.173) 8.287 3.804 ( -4.097 6.738 0.310) 7.892 4.185 ( 2.470 -3.171 1.990) 4.485 4.621 ( -11.663 0.464 1.601) 11.781 4.858 ( -3.215 6.329 -2.371) 7.484 5.055 ( 4.735 12.063 -4.107) 13.594 5.476 ( 1.581 -2.463 -1.481) 3.280 5.786 ( 4.285 -6.700 -8.233) 11.447 6.008 ( 5.338 -11.559 -3.196) 13.127 6.866 ( -5.798 -2.058 0.732) 6.196 7.196 ( 3.139 9.967 3.188) 10.925 7.930 ( -4.911 -3.634 4.230) 7.432 8.224 ( 13.023 -6.690 -10.622) 18.088 8.840 ( -0.492 4.043 11.814) 12.497 9.613 ( 6.743 -0.742 0.120) 6.785 10.269 ( 6.440 -8.535 4.182) 11.481 11.126 ( -4.468 -12.796 -2.342) 13.754 11.657 ( -4.536 3.334 6.627) 8.696 11.863 ( 0.548 1.903 -1.142) 2.286 12.272 ( -0.773 3.300 -6.574) 7.397 12.673 ( 2.877 -1.253 -9.579) 10.080 12.865 ( 4.658 -5.469 1.929) 7.439 13.632 ( 5.575 -2.589 6.557) 8.988 20.290 ( -5.424 0.787 -6.655) 8.622 20.836 ( 2.404 1.518 3.519) 4.524 20.999 ( 5.370 2.376 9.644) 11.291 21.310 ( -3.099 -5.249 -0.448) 6.112 21.884 ( -3.291 4.123 8.043) 9.619 22.710 ( 0.043 -1.378 -3.170) 3.457 23.012 ( 1.399 -1.865 0.568) 2.400 23.477 ( 11.071 -8.538 -11.788) 18.288 ======================= Grid point 60 (45/131) ======================= q-point: ( 0.55 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.590 6.921 3.881) 7.957 1.789 ( -0.501 3.781 8.104) 8.957 2.273 ( -2.430 1.070 -7.237) 7.708 2.607 ( 6.077 3.216 -2.506) 7.318 3.169 ( -0.615 -4.302 1.859) 4.727 3.486 ( 6.365 9.813 8.684) 14.568 3.955 ( 5.322 4.169 5.536) 8.738 4.072 ( -3.609 -3.024 4.747) 6.686 4.510 ( -4.808 3.299 0.933) 5.905 4.835 ( -6.428 -0.923 -3.447) 7.352 5.209 ( 0.765 6.404 -2.747) 7.010 5.404 ( -4.756 -4.029 -3.716) 7.257 5.883 ( 7.432 -1.314 -1.396) 7.675 5.954 ( 8.827 -6.562 -3.084) 11.423 6.770 ( -3.023 2.055 2.753) 4.576 7.551 ( 4.877 13.121 -0.024) 13.998 7.846 ( 8.513 -7.867 4.294) 12.361 8.407 ( 6.939 0.751 -2.651) 7.467 8.893 ( -0.367 3.238 3.984) 5.147 9.810 ( 10.394 -4.917 -1.424) 11.586 10.252 ( 8.418 -1.744 4.490) 9.699 10.760 ( -4.633 -7.329 -6.717) 10.968 11.549 ( -8.772 5.644 7.751) 12.996 12.110 ( 7.164 6.650 -1.627) 9.909 12.264 ( -3.575 0.069 -7.358) 8.181 12.760 ( -6.431 -0.321 -5.183) 8.265 12.793 ( 14.866 -7.364 0.323) 16.593 13.634 ( 1.652 -5.080 6.593) 8.485 20.185 ( -6.535 0.941 -8.381) 10.670 20.691 ( -3.491 -4.936 -1.108) 6.146 21.162 ( -1.294 -2.729 4.845) 5.709 21.360 ( 9.038 7.040 9.737) 15.036 21.908 ( -0.767 2.425 9.779) 10.105 22.730 ( 2.682 0.588 -3.628) 4.550 23.070 ( 2.223 1.254 1.732) 3.084 23.554 ( 11.607 -5.579 -14.326) 19.263 ======================= Grid point 61 (46/131) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -19.798 -3.051 -0.000) 20.032 0.975 ( -17.061 -9.590 -0.000) 19.571 2.298 ( -34.962 -18.072 -0.000) 39.357 2.434 ( -2.593 3.290 -0.000) 4.189 2.730 ( -3.919 -5.094 0.000) 6.427 3.031 ( 1.507 -0.043 0.000) 1.507 3.309 ( -9.795 -4.221 -0.000) 10.666 3.893 ( -2.615 -0.554 -0.000) 2.674 4.639 ( 2.603 -3.752 0.000) 4.566 4.782 ( -1.120 5.277 -0.000) 5.395 5.198 ( -3.876 -9.416 0.000) 10.183 5.239 ( -2.052 -17.786 0.000) 17.904 5.967 ( -8.882 10.279 -0.000) 13.585 6.750 ( -13.982 -0.614 -0.000) 13.995 6.873 ( 16.527 8.249 0.000) 18.471 6.879 ( 0.736 3.330 -0.000) 3.411 7.857 ( 2.164 8.117 -0.000) 8.401 8.218 ( -0.682 -2.103 0.000) 2.211 8.568 ( -19.335 -9.284 -0.000) 21.449 10.213 ( -0.767 24.408 -0.000) 24.420 10.408 ( 5.129 0.908 0.000) 5.209 10.935 ( 1.421 -16.586 0.000) 16.647 11.527 ( 18.478 0.043 0.000) 18.478 12.003 ( -5.833 4.738 -0.000) 7.514 12.776 ( 1.056 1.697 -0.000) 1.999 12.878 ( 3.728 -4.558 0.000) 5.889 13.197 ( -0.188 1.318 -0.000) 1.332 13.352 ( 5.193 3.478 0.000) 6.250 20.356 ( -5.231 -2.133 -0.000) 5.649 20.616 ( 4.511 -0.743 0.000) 4.571 20.868 ( 1.269 -0.579 0.000) 1.395 21.145 ( 1.522 3.905 -0.000) 4.191 21.639 ( -7.542 -3.586 -0.000) 8.351 22.885 ( -1.075 -0.436 -0.000) 1.161 22.998 ( 2.097 1.446 0.000) 2.547 24.361 ( 2.052 3.870 -0.000) 4.381 ======================= Grid point 65 (47/131) ======================= q-point: ( 0.32 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.341 9.755 5.967) 11.440 1.894 ( 6.909 8.740 1.289) 11.215 2.370 ( -3.640 1.959 -12.869) 13.516 2.837 ( 2.770 2.380 -3.818) 5.283 2.890 ( -1.197 -0.106 4.758) 4.907 3.383 ( 5.874 14.294 17.225) 23.141 3.771 ( 1.701 8.472 7.079) 11.170 4.304 ( -2.001 9.230 -2.300) 9.720 4.426 ( -1.400 -1.484 -5.658) 6.015 4.744 ( -1.700 -3.425 -0.396) 3.844 5.244 ( -3.651 7.659 -8.390) 11.933 5.394 ( 3.726 3.741 0.128) 5.282 6.096 ( 5.100 -9.937 0.678) 11.190 6.147 ( 0.591 -15.209 1.258) 15.272 6.794 ( 0.847 4.727 -2.066) 5.228 7.472 ( -4.717 16.792 0.937) 17.467 8.016 ( -5.114 -8.885 2.755) 10.615 8.280 ( 9.807 4.638 9.252) 14.258 9.179 ( -2.723 13.881 -11.895) 18.482 9.779 ( -7.097 -9.073 0.139) 11.520 10.641 ( -0.121 -1.978 -2.049) 2.851 10.814 ( -2.258 -8.652 4.617) 10.063 11.393 ( 16.803 13.207 2.074) 21.472 12.252 ( -2.586 4.599 -1.042) 5.378 12.353 ( 1.550 -4.365 -5.454) 7.155 12.551 ( -6.110 -12.191 -3.047) 13.973 13.256 ( -9.374 -2.941 9.985) 14.008 13.365 ( 8.434 1.550 -1.500) 8.705 20.138 ( -3.850 -3.785 -5.346) 7.598 20.561 ( -3.204 0.314 2.581) 4.126 21.030 ( 3.794 4.055 1.399) 5.726 21.545 ( 8.237 4.086 5.145) 10.536 21.805 ( -0.963 4.810 2.500) 5.506 22.910 ( -2.592 -1.426 1.231) 3.204 22.971 ( 1.175 1.649 0.261) 2.041 24.021 ( -3.754 -6.596 -9.811) 12.404 ======================= Grid point 66 (48/131) ======================= q-point: (-0.18 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -0.192 -12.292 -17.994) 21.792 0.844 ( -9.350 -22.902 -15.374) 29.125 1.426 ( 5.841 -30.014 -31.255) 43.725 2.496 ( 1.281 -1.869 1.822) 2.907 2.525 ( -1.367 -4.877 4.053) 6.487 3.101 ( 0.456 1.086 -3.761) 3.941 3.439 ( -0.182 14.057 -19.068) 23.690 3.827 ( -0.311 -3.891 -0.129) 3.906 4.663 ( -3.933 5.651 2.588) 7.355 4.782 ( 4.647 0.945 1.786) 5.068 4.926 ( -4.556 -1.972 -1.359) 5.147 5.022 ( 5.133 -4.975 -2.103) 7.452 5.931 ( -5.446 -11.488 -2.116) 12.889 6.284 ( 4.105 -22.179 16.764) 28.104 6.697 ( 0.181 -8.527 3.595) 9.255 7.166 ( 0.177 9.385 5.314) 10.787 8.007 ( -5.224 -1.828 2.536) 6.088 8.080 ( 5.054 -8.989 3.648) 10.938 8.749 ( 0.354 27.300 -28.144) 39.211 10.402 ( 14.453 7.360 4.313) 16.782 10.584 ( -1.349 0.369 -7.503) 7.632 10.792 ( -19.378 -6.291 1.517) 20.430 11.511 ( 5.135 -38.548 31.556) 50.081 11.845 ( -0.689 9.132 -0.673) 9.182 11.978 ( 0.381 -3.508 -0.514) 3.566 13.049 ( 0.230 2.067 14.512) 14.660 13.595 ( -0.516 3.737 -8.163) 8.993 14.019 ( 0.696 32.275 -26.191) 41.571 20.396 ( -0.630 0.012 -11.938) 11.955 20.677 ( 1.748 7.483 6.345) 9.965 20.864 ( -0.957 -4.858 4.299) 6.557 21.288 ( -3.008 -0.610 -5.360) 6.177 21.388 ( 2.111 -5.685 -4.080) 7.309 22.872 ( -0.211 -1.036 -1.517) 1.849 23.045 ( 0.062 1.080 1.536) 1.879 23.771 ( 1.086 -26.672 29.758) 39.976 ======================= Grid point 68 (49/131) ======================= q-point: ( 0.32 -0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 2.613 4.501 4.327) 6.768 1.972 ( -2.489 -1.211 0.418) 2.799 2.331 ( 0.688 -3.655 -11.175) 11.778 2.814 ( -4.408 -3.716 -2.204) 6.172 2.982 ( 2.660 5.788 4.463) 7.778 3.764 ( 4.505 7.372 3.753) 9.419 4.013 ( 3.732 7.981 3.212) 9.378 4.175 ( -2.987 -6.130 -2.340) 7.209 4.443 ( -0.506 1.483 -5.960) 6.163 4.714 ( 1.734 -1.093 1.382) 2.472 5.271 ( -4.449 4.274 -4.749) 7.785 5.390 ( -0.519 -8.395 1.663) 8.574 5.875 ( -3.195 -1.058 2.157) 3.997 6.026 ( 1.289 -8.830 2.019) 9.149 6.955 ( 1.414 2.184 -9.580) 9.927 7.664 ( -4.206 11.364 -0.281) 12.121 7.778 ( -3.053 -3.025 11.318) 12.107 8.469 ( 2.100 -1.454 3.413) 4.263 9.184 ( -4.603 -1.496 -15.201) 15.953 9.663 ( -2.270 4.641 4.913) 7.129 10.524 ( -1.387 -4.987 2.980) 5.973 10.635 ( -14.367 5.042 0.014) 15.226 11.728 ( 5.472 -5.392 -2.439) 8.060 12.140 ( -5.456 -1.871 0.311) 5.776 12.308 ( -2.600 -4.049 -0.528) 4.841 12.442 ( 13.149 -1.219 2.807) 13.500 12.986 ( -13.611 0.576 3.848) 14.156 13.592 ( 3.421 7.426 -3.103) 8.745 20.036 ( -0.101 -2.115 0.201) 2.127 20.562 ( 1.615 1.117 1.200) 2.301 21.170 ( 1.318 4.326 -2.776) 5.307 21.633 ( -1.018 -1.097 -1.235) 1.940 21.956 ( 3.733 6.582 1.920) 7.806 22.773 ( -5.532 -1.758 2.145) 6.188 23.070 ( 2.318 2.975 -0.180) 3.776 23.691 ( -12.311 -10.619 -1.319) 16.312 ======================= Grid point 69 (50/131) ======================= q-point: (-0.68 -0.08 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.513 -0.317 -0.363) 0.704 1.875 ( -1.041 -1.983 0.782) 2.373 2.254 ( 0.990 -5.597 -5.311) 7.779 2.589 ( -7.344 -4.579 -0.158) 8.656 3.110 ( -0.500 3.804 5.411) 6.633 3.671 ( -7.485 -4.961 -7.350) 11.604 4.030 ( -6.695 -4.083 -2.507) 8.232 4.190 ( 5.060 3.234 -3.694) 7.050 4.554 ( 7.847 -2.945 -2.881) 8.862 4.770 ( 6.111 -0.868 2.177) 6.545 5.160 ( 0.352 -7.768 1.516) 7.922 5.338 ( 2.729 1.966 2.343) 4.099 5.816 ( -10.016 -2.122 3.994) 10.990 5.870 ( -6.550 5.647 3.950) 9.508 6.930 ( 1.880 -3.383 -11.899) 12.512 7.507 ( -3.304 -11.685 6.495) 13.771 7.880 ( -7.993 13.440 1.263) 15.689 8.256 ( -9.328 -8.832 4.816) 13.718 9.153 ( 1.150 1.000 -14.917) 14.994 9.710 ( -6.255 2.184 7.594) 10.078 10.363 ( -7.778 5.750 -5.592) 11.173 10.636 ( -0.411 11.342 5.024) 12.412 11.700 ( 8.900 -6.243 -6.164) 12.497 12.031 ( -0.395 -7.284 5.342) 9.042 12.170 ( -3.071 -1.710 1.442) 3.799 12.630 ( 3.649 -5.980 5.416) 8.855 12.819 ( -9.583 11.339 -1.139) 14.890 13.744 ( -3.299 7.053 -3.484) 8.530 20.053 ( 4.034 -0.324 3.890) 5.613 20.666 ( 5.459 2.413 1.078) 6.065 21.244 ( -2.674 4.731 -2.545) 6.001 21.518 ( -6.258 -2.899 -5.143) 8.603 22.150 ( 5.379 2.472 -11.040) 12.527 22.663 ( -3.239 -0.573 2.457) 4.106 23.078 ( -7.197 -6.747 1.602) 9.994 23.270 ( -8.545 1.943 10.160) 13.417 ======================= Grid point 71 (51/131) ======================= q-point: (-0.18 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 10.591 7.995 -9.039) 16.056 1.494 ( 7.056 5.561 -8.224) 12.180 2.423 ( 6.005 2.206 8.738) 10.829 2.678 ( -1.590 -1.894 5.716) 6.228 3.093 ( 9.849 4.503 -8.574) 13.813 3.120 ( 1.371 -0.486 -4.967) 5.176 3.657 ( 9.228 4.100 -6.099) 11.796 4.006 ( 0.561 4.024 -3.265) 5.212 4.585 ( -4.835 1.457 3.958) 6.416 4.825 ( 5.370 1.757 0.045) 5.650 5.233 ( 2.399 3.251 7.688) 8.685 5.480 ( 0.890 2.496 -0.156) 2.655 5.920 ( -1.610 -2.444 -0.413) 2.955 6.274 ( -15.919 -12.066 3.855) 20.343 6.793 ( -1.673 2.513 3.000) 4.256 7.230 ( 20.459 1.498 0.489) 20.519 7.762 ( -0.493 -4.590 -8.130) 9.349 8.314 ( -5.057 -0.534 -10.131) 11.336 8.892 ( 11.115 -2.367 10.490) 15.466 9.809 ( 1.383 -16.109 -1.112) 16.206 10.277 ( -8.776 -4.395 -4.417) 10.763 11.092 ( -11.629 7.128 4.418) 14.337 11.340 ( -2.632 9.177 -6.355) 11.469 12.002 ( 6.673 -7.424 0.767) 10.011 12.453 ( 1.973 1.545 12.790) 13.033 12.896 ( -7.502 -2.308 -2.495) 8.236 12.959 ( -3.271 -6.882 7.166) 10.460 13.505 ( -2.476 -1.727 -12.539) 12.897 20.367 ( 1.183 4.147 8.793) 9.794 20.833 ( -5.339 1.950 0.628) 5.719 20.861 ( 11.036 -4.658 -14.408) 18.737 21.108 ( -3.851 4.245 -3.831) 6.894 21.762 ( 1.800 -0.321 -1.272) 2.228 22.814 ( -0.445 -1.855 4.199) 4.612 23.003 ( -0.015 -1.707 -3.434) 3.835 23.978 ( -5.773 -10.724 11.826) 16.976 ======================= Grid point 72 (52/131) ======================= q-point: (-0.68 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -0.862 -1.472 0.201) 1.718 1.894 ( 2.845 0.361 -1.100) 3.072 2.199 ( 1.769 -0.668 -1.748) 2.575 2.457 ( 0.391 -0.014 1.455) 1.507 3.167 ( -0.862 6.333 -1.971) 6.688 3.521 ( -5.136 0.102 -4.575) 6.879 3.811 ( -1.211 -5.489 -0.556) 5.649 4.165 ( -8.084 -2.688 2.511) 8.882 4.634 ( 9.975 -10.135 3.587) 14.665 4.852 ( 10.341 -3.765 -4.836) 12.021 5.019 ( -2.487 -6.899 0.068) 7.334 5.437 ( -0.553 2.169 1.700) 2.811 5.597 ( -6.211 4.019 8.525) 11.288 5.938 ( -5.276 11.579 2.844) 13.038 6.933 ( 0.208 -0.697 -5.101) 5.153 7.258 ( 1.106 -6.208 -0.927) 6.373 7.962 ( 2.476 -1.473 1.707) 3.349 8.001 ( -9.634 8.951 6.240) 14.556 9.144 ( -2.007 -1.895 -14.031) 14.300 9.565 ( -4.633 -0.600 4.629) 6.577 10.360 ( -10.762 11.152 -3.709) 15.936 11.088 ( 7.369 17.876 1.146) 19.369 11.782 ( -3.748 -4.802 -3.735) 7.146 11.852 ( 8.144 -2.057 -1.246) 8.491 12.145 ( 4.922 -5.420 5.014) 8.874 12.470 ( -2.084 -4.977 7.985) 9.637 12.922 ( -6.921 10.856 -2.446) 13.105 13.732 ( -7.027 2.624 -2.827) 8.016 20.167 ( 6.559 0.888 4.296) 7.890 20.845 ( 5.750 2.215 0.889) 6.225 21.255 ( -8.699 0.970 -7.316) 11.407 21.301 ( -4.767 0.383 -3.800) 6.108 22.065 ( -6.186 -11.796 -7.004) 15.049 22.659 ( 2.387 3.478 0.525) 4.251 22.946 ( 3.662 4.855 7.240) 9.455 23.282 ( -6.210 7.469 4.984) 10.918 ======================= Grid point 73 (53/131) ======================= q-point: (-0.68 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.349 -1.181 3.633) 3.836 1.948 ( -0.388 1.323 -0.771) 1.580 2.305 ( 5.625 1.782 -6.307) 8.637 2.595 ( 8.246 3.432 3.447) 9.574 3.188 ( -10.128 -1.416 -6.961) 12.371 3.552 ( 2.452 10.080 3.503) 10.949 3.822 ( 4.386 0.838 1.168) 4.615 3.938 ( -8.632 2.428 7.451) 11.658 4.559 ( 8.199 -12.140 3.957) 15.174 4.797 ( -1.422 -6.049 -0.341) 6.223 5.093 ( 12.673 0.265 -11.082) 16.837 5.479 ( -4.717 6.660 1.981) 8.399 5.644 ( 2.624 2.429 9.353) 10.013 6.024 ( -6.348 6.666 3.744) 9.937 6.882 ( -2.827 0.200 -0.898) 2.973 7.382 ( 10.608 4.597 -4.030) 12.244 7.932 ( -5.089 4.368 0.790) 6.753 8.189 ( 4.289 5.932 8.714) 11.380 9.099 ( 1.137 0.595 -12.792) 12.856 9.508 ( 1.808 -1.656 4.480) 5.107 10.439 ( -10.187 18.363 -2.788) 21.184 11.176 ( -10.203 -4.698 -6.993) 13.231 11.670 ( -8.115 3.778 5.328) 10.417 12.044 ( 12.915 -6.077 -3.022) 14.590 12.171 ( 2.980 3.362 1.957) 4.900 12.462 ( 11.957 -6.297 7.871) 15.638 12.979 ( -10.813 15.008 -3.830) 18.890 13.604 ( -5.830 -2.217 -1.151) 6.343 20.323 ( 6.305 0.739 0.972) 6.422 20.737 ( -6.285 -12.074 -9.339) 16.507 21.114 ( -3.201 3.010 -4.063) 5.985 21.389 ( -0.775 7.107 3.893) 8.141 21.770 ( -4.229 -2.491 9.430) 10.630 22.795 ( 1.580 4.950 -1.678) 5.460 23.124 ( -0.081 -0.638 -1.534) 1.663 23.424 ( 6.528 12.706 1.440) 14.358 ======================= Grid point 74 (54/131) ======================= q-point: (-0.18 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 3.127 2.601 -5.334) 6.708 1.674 ( 6.167 2.570 -4.751) 8.198 2.486 ( -6.892 -2.938 6.335) 9.811 2.609 ( 5.088 -2.698 8.590) 10.342 3.046 ( -4.701 -0.627 -6.630) 8.152 3.192 ( 3.231 -11.098 -4.577) 12.432 3.876 ( 0.547 4.093 -0.209) 4.134 3.995 ( -2.265 5.162 -6.968) 8.962 4.621 ( 2.731 8.377 -0.367) 8.819 4.987 ( 4.830 1.752 0.442) 5.157 5.270 ( -4.711 1.281 4.072) 6.357 5.533 ( 4.559 -2.717 1.836) 5.616 5.748 ( -6.755 -6.579 2.519) 9.761 5.854 ( -8.602 -3.596 -0.866) 9.364 6.837 ( -0.985 4.355 0.133) 4.467 7.367 ( 5.136 -10.879 0.517) 12.042 7.725 ( -5.503 0.303 1.384) 5.682 8.146 ( -1.497 -9.355 -8.665) 12.839 8.899 ( 4.560 -7.502 6.436) 10.885 9.481 ( -5.137 -14.895 -3.716) 16.189 10.151 ( 0.598 5.307 -2.234) 5.789 11.098 ( -1.723 7.970 8.972) 12.124 11.527 ( 0.960 6.226 -8.685) 10.729 11.976 ( 6.142 -6.081 0.718) 8.673 12.413 ( 0.381 -9.527 2.174) 9.779 12.542 ( -10.434 -4.754 2.077) 11.653 12.981 ( -2.497 6.553 4.624) 8.400 13.442 ( 1.147 -3.961 -5.835) 7.145 20.525 ( 4.212 4.299 8.741) 10.613 20.762 ( -5.080 2.606 -0.077) 5.710 20.884 ( 8.370 -9.510 -7.644) 14.796 21.209 ( -2.562 7.172 -2.908) 8.152 21.772 ( 0.085 3.798 -5.659) 6.816 22.776 ( 0.074 -1.546 3.511) 3.837 22.941 ( 0.189 -4.777 -3.524) 5.939 23.517 ( -10.823 -17.782 8.087) 22.332 ======================= Grid point 75 (55/131) ======================= q-point: (-0.18 -0.08 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.177 1.649 -4.987) 5.256 1.788 ( 5.139 -1.809 -2.790) 6.121 2.271 ( -3.993 -2.731 1.468) 5.056 2.473 ( -4.953 -10.684 7.498) 13.961 2.948 ( -1.844 -2.617 -0.981) 3.348 3.037 ( 7.639 -6.409 -3.335) 10.514 4.007 ( 2.611 7.747 -0.379) 8.184 4.105 ( -3.564 4.946 -4.169) 7.385 4.885 ( 4.728 7.148 0.155) 8.572 5.055 ( 3.102 -3.919 -0.673) 5.043 5.228 ( -0.995 7.986 1.827) 8.253 5.400 ( -13.873 -0.015 2.731) 14.140 5.607 ( 0.898 -7.323 -1.477) 7.524 5.662 ( -0.191 -4.430 -2.514) 5.098 6.929 ( -0.676 6.198 -1.102) 6.331 7.270 ( 5.700 -6.713 -6.558) 10.980 7.527 ( -6.191 -2.386 9.776) 11.815 7.890 ( 1.410 -14.700 -1.779) 14.874 8.889 ( 4.879 -1.956 3.681) 6.417 9.121 ( -0.274 -13.862 -2.263) 14.049 10.481 ( 2.179 19.731 -1.670) 19.921 11.132 ( -3.226 -7.295 3.960) 8.905 11.598 ( 1.333 5.232 -2.349) 5.888 12.007 ( 3.428 -11.157 1.977) 11.839 12.179 ( 0.982 1.692 -2.203) 2.946 12.379 ( -4.537 -3.234 1.308) 5.723 13.057 ( -5.826 8.672 -0.407) 10.456 13.391 ( 5.334 -7.142 -0.216) 8.917 20.552 ( -9.312 4.308 -1.892) 10.434 20.787 ( 9.472 -6.482 -2.323) 11.711 20.964 ( 5.621 4.013 6.107) 9.219 21.141 ( -4.509 -4.224 1.048) 6.267 22.050 ( 6.236 16.529 -5.958) 18.644 22.742 ( -1.055 -5.951 0.068) 6.045 22.804 ( -1.524 -8.358 -0.708) 8.526 22.992 ( -4.740 -11.296 3.833) 12.836 ======================= Grid point 76 (56/131) ======================= q-point: ( 0.32 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -3.245 -0.626 5.006) 5.999 1.931 ( -5.189 3.307 0.833) 6.209 2.410 ( 4.267 -2.097 -12.458) 13.334 2.807 ( 3.041 3.401 0.555) 4.596 2.943 ( -5.777 -2.656 -0.646) 6.391 3.524 ( -11.426 3.524 17.115) 20.878 3.852 ( -4.195 2.136 7.023) 8.455 4.233 ( 10.388 10.352 -3.334) 15.040 4.476 ( 1.354 -6.804 -8.220) 10.756 4.728 ( 0.520 -0.639 2.354) 2.494 5.335 ( 8.794 -0.105 -7.242) 11.393 5.432 ( -7.175 0.486 -0.581) 7.215 5.814 ( 7.302 4.870 4.653) 9.934 5.975 ( -0.935 0.199 4.380) 4.483 6.848 ( -4.627 2.925 -2.649) 6.081 7.724 ( 8.120 2.230 -3.495) 9.117 7.878 ( -4.597 2.249 1.644) 5.375 8.243 ( -4.251 2.636 14.307) 15.156 9.211 ( 3.555 3.530 -13.678) 14.567 9.645 ( 10.054 1.717 4.508) 11.152 10.652 ( -6.061 17.620 -1.150) 18.668 10.794 ( -9.089 -9.846 -7.102) 15.165 11.501 ( -13.139 2.429 7.110) 15.136 12.170 ( 12.687 -4.111 -1.234) 13.393 12.293 ( -0.125 3.736 0.300) 3.750 12.526 ( 9.549 -10.165 -0.216) 13.948 13.162 ( -5.057 17.657 -2.779) 18.576 13.426 ( -2.573 -7.098 2.957) 8.109 20.271 ( -1.971 -9.661 -10.028) 14.064 20.561 ( 3.986 -1.852 1.848) 4.768 21.077 ( -5.002 1.300 0.549) 5.197 21.468 ( -4.882 8.171 7.088) 11.867 21.801 ( 0.585 4.163 5.925) 7.265 22.894 ( -1.136 4.318 -2.643) 5.188 23.031 ( -1.375 -4.037 1.546) 4.537 23.825 ( 10.731 6.301 -5.600) 13.646 ======================= Grid point 78 (57/131) ======================= q-point: (-0.18 -0.08 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.065 -0.250 -2.250) 2.265 1.816 ( 2.625 -4.016 -5.751) 7.489 2.302 ( 3.187 3.983 3.947) 6.450 2.392 ( 6.490 5.332 4.283) 9.429 2.904 ( 0.879 -1.184 -3.188) 3.513 3.139 ( 12.675 -5.302 1.124) 13.785 3.979 ( -4.918 1.395 -1.338) 5.284 4.245 ( 2.583 -0.892 0.741) 2.831 4.951 ( -3.051 -1.855 2.412) 4.309 5.009 ( -1.353 -4.409 -1.813) 4.956 5.211 ( -4.963 7.267 3.007) 9.300 5.361 ( -6.411 -6.367 -1.446) 9.150 5.587 ( 9.745 11.853 -1.850) 15.456 5.695 ( 4.508 0.319 -0.844) 4.598 7.036 ( -0.961 6.092 3.066) 6.887 7.220 ( 7.529 -14.254 -3.548) 16.507 7.573 ( 0.453 12.308 1.129) 12.368 7.834 ( 15.409 -3.996 1.794) 16.019 8.820 ( -2.004 -6.803 0.081) 7.093 9.153 ( 14.216 1.295 -0.485) 14.283 10.596 ( -16.417 -8.978 2.992) 18.950 10.916 ( -3.721 12.292 -4.523) 13.616 11.760 ( 2.862 -7.711 4.236) 9.252 11.914 ( 8.906 5.031 -1.701) 10.369 12.184 ( -4.283 -6.099 -2.665) 7.915 12.377 ( 4.679 6.134 1.592) 7.877 13.069 ( -8.044 6.322 0.003) 10.231 13.390 ( 7.671 -6.137 -0.193) 9.826 20.436 ( -10.889 5.239 -5.041) 13.093 20.820 ( -0.161 -3.881 1.974) 4.357 20.925 ( 1.879 -5.027 -0.586) 5.398 21.242 ( 9.670 2.744 5.492) 11.454 22.239 ( -7.343 -12.329 1.597) 14.438 22.600 ( 7.237 6.824 -6.695) 11.990 22.828 ( 4.740 6.628 3.185) 8.748 22.932 ( 5.440 -0.418 -0.090) 5.456 ======================= Grid point 79 (58/131) ======================= q-point: (-0.18 -0.08 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -1.344 -4.520 -5.766) 7.449 1.755 ( 3.530 -5.668 -2.000) 6.970 2.493 ( -0.301 4.075 8.491) 9.423 2.605 ( 7.389 1.228 4.990) 9.001 2.937 ( -0.832 3.293 -5.825) 6.743 3.297 ( 12.298 -6.841 -2.829) 14.354 3.985 ( -1.779 -7.230 2.406) 7.825 4.087 ( 0.736 -0.426 -2.207) 2.365 4.822 ( -0.119 -9.592 -0.263) 9.597 4.893 ( -5.576 1.345 0.490) 5.757 5.043 ( -15.370 2.299 2.026) 15.673 5.430 ( 6.024 5.427 1.276) 8.208 5.827 ( 4.658 5.381 2.200) 7.449 5.987 ( 11.482 5.334 1.616) 12.763 7.073 ( 6.001 -12.946 -2.348) 14.461 7.113 ( -3.992 4.666 9.058) 10.943 7.774 ( -0.504 3.616 -13.540) 14.023 8.266 ( 23.755 1.555 9.274) 25.548 8.699 ( -3.718 0.172 -2.064) 4.256 9.473 ( 9.122 2.601 -2.934) 9.929 10.190 ( -2.072 -3.130 -0.162) 3.757 11.061 ( -7.236 12.668 -1.934) 14.717 11.669 ( 5.184 -7.804 1.060) 9.428 11.955 ( 0.596 -7.900 -2.240) 8.234 12.261 ( 3.565 9.029 1.345) 9.800 12.606 ( 7.691 6.648 0.329) 10.171 12.987 ( -8.198 1.492 6.432) 10.526 13.431 ( 4.227 -1.951 -5.264) 7.028 20.352 ( -8.921 6.281 -4.104) 11.657 20.651 ( -6.535 -2.105 1.817) 7.102 20.973 ( 7.386 -3.990 -1.446) 8.518 21.431 ( 7.627 -2.315 3.445) 8.683 21.887 ( -2.605 -10.456 -3.328) 11.278 22.726 ( 0.627 3.316 -0.393) 3.398 22.956 ( 4.313 -1.391 -1.561) 4.793 23.386 ( 12.487 17.024 5.293) 21.766 ======================= Grid point 81 (59/131) ======================= q-point: ( 0.32 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -14.362 8.011 8.112) 18.337 1.380 ( -15.558 1.720 11.845) 19.629 2.301 ( -3.065 7.415 -7.058) 10.686 2.705 ( -2.233 -0.283 -7.878) 8.194 2.762 ( -8.802 16.883 11.594) 22.292 3.143 ( -1.660 0.892 7.192) 7.435 3.477 ( -6.594 7.307 3.783) 10.545 4.018 ( -9.006 -0.046 3.750) 9.756 4.643 ( 1.022 -1.432 -1.734) 2.471 4.745 ( -0.888 2.242 0.737) 2.521 5.143 ( 3.969 7.089 -12.948) 15.286 5.435 ( -3.710 4.730 0.365) 6.022 5.999 ( -11.437 -7.744 -0.320) 13.816 6.568 ( 13.866 -13.183 -4.894) 19.749 6.814 ( -3.863 10.535 0.395) 11.228 6.842 ( -1.639 6.607 0.429) 6.821 7.815 ( 1.851 -5.686 5.390) 8.050 8.398 ( -1.474 -3.044 10.967) 11.477 8.636 ( -4.251 14.018 -7.392) 16.408 9.815 ( 13.287 -2.979 -1.106) 13.661 10.436 ( 3.790 -6.704 6.223) 9.901 11.263 ( -15.473 -5.067 0.078) 16.282 11.485 ( 6.661 -8.637 1.485) 11.008 11.913 ( 2.185 0.648 -0.404) 2.315 12.362 ( -5.610 7.812 -18.529) 20.877 12.920 ( 4.082 0.645 -12.100) 12.786 13.141 ( 9.308 -11.676 9.359) 17.622 13.554 ( 4.713 -1.880 14.494) 15.357 20.368 ( -1.515 -1.312 -4.232) 4.682 20.645 ( 8.721 9.866 11.156) 17.258 20.933 ( -4.081 -3.740 0.271) 5.542 21.212 ( -8.911 -6.526 2.133) 11.249 21.693 ( -1.772 5.201 0.691) 5.538 22.833 ( 0.951 -1.580 -3.500) 3.957 23.007 ( 1.068 -0.244 2.717) 2.930 24.048 ( 6.597 -1.380 -14.244) 15.758 ======================= Grid point 82 (60/131) ======================= q-point: (-0.18 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -6.652 -10.030 -6.136) 13.509 1.687 ( 6.180 -13.107 -4.865) 15.286 2.379 ( -5.775 -4.544 8.785) 11.454 2.728 ( 1.110 -0.939 6.512) 6.673 2.930 ( -2.056 -4.349 -9.323) 10.491 3.214 ( -2.048 -9.128 -5.202) 10.703 3.656 ( -5.195 -10.969 -1.656) 12.250 4.190 ( 3.076 -6.087 -3.662) 7.741 4.616 ( -9.313 1.165 0.310) 9.390 4.777 ( -3.982 -1.423 -0.951) 4.334 4.985 ( -0.332 6.602 10.595) 12.488 5.516 ( -1.393 -3.161 -0.930) 3.577 6.139 ( 11.218 4.508 7.944) 14.466 6.302 ( 12.234 8.073 0.465) 14.665 6.889 ( -14.404 -3.687 -2.940) 15.157 6.973 ( 1.608 -11.210 4.768) 12.287 7.807 ( 5.855 -0.392 -11.369) 12.794 8.497 ( 6.444 -8.885 -4.990) 12.057 8.662 ( -5.773 1.589 9.037) 10.840 9.632 ( 4.486 5.911 -0.037) 7.420 10.357 ( 9.150 3.749 -4.662) 10.932 11.237 ( -1.443 15.276 -1.875) 15.458 11.561 ( 2.316 -12.456 -1.971) 12.822 11.921 ( 6.135 -2.565 0.626) 6.678 12.408 ( -1.267 1.400 10.242) 10.414 12.843 ( -6.971 3.577 10.267) 12.915 12.961 ( 11.051 8.700 -5.921) 15.260 13.478 ( 0.610 2.131 -9.217) 9.480 20.345 ( -3.609 5.887 -0.180) 6.908 20.517 ( -6.156 1.185 -3.905) 7.386 21.009 ( 3.520 -3.663 -1.186) 5.217 21.430 ( 7.243 -11.085 -0.335) 13.246 21.725 ( -3.608 -2.333 -2.033) 4.754 22.808 ( 2.333 1.950 2.511) 3.944 22.993 ( 0.939 -0.091 -3.239) 3.374 23.872 ( 7.231 10.827 10.028) 16.434 ======================= Grid point 85 (61/131) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -0.589 19.527 -0.000) 19.536 1.133 ( 27.152 25.813 0.000) 37.464 1.924 ( -16.507 39.850 -0.000) 43.133 2.471 ( -1.482 1.247 -0.000) 1.937 2.690 ( 2.576 7.061 -0.000) 7.516 3.038 ( 0.877 -1.093 0.000) 1.402 3.265 ( -0.199 11.229 -0.000) 11.231 3.911 ( 1.034 5.278 -0.000) 5.378 4.547 ( -2.004 -4.555 0.000) 4.976 4.870 ( -1.023 -1.220 0.000) 1.592 5.044 ( -0.126 8.468 -0.000) 8.469 5.087 ( 2.662 8.060 -0.000) 8.488 6.147 ( 6.726 7.513 -0.000) 10.085 6.716 ( -3.723 12.255 -0.000) 12.809 6.907 ( -2.673 -2.455 -0.000) 3.630 6.943 ( -0.972 -17.943 0.000) 17.969 8.047 ( 10.716 2.148 0.000) 10.929 8.126 ( -8.425 0.310 -0.000) 8.430 8.433 ( -2.699 18.601 -0.000) 18.796 10.252 ( -13.963 -10.478 -0.000) 17.457 10.549 ( -3.320 2.394 -0.000) 4.093 10.955 ( 25.171 8.119 0.000) 26.448 11.524 ( 0.414 -19.311 0.000) 19.315 12.052 ( -0.396 5.178 -0.000) 5.193 12.779 ( -1.108 -2.261 0.000) 2.518 12.781 ( -2.602 -2.492 -0.000) 3.602 13.185 ( -2.386 -4.296 0.000) 4.915 13.406 ( 1.397 -2.810 0.000) 3.138 20.329 ( -0.604 4.469 -0.000) 4.510 20.547 ( -4.179 -10.607 0.000) 11.400 20.902 ( 3.468 1.461 0.000) 3.763 21.298 ( 9.051 3.417 0.000) 9.674 21.550 ( -4.927 8.845 -0.000) 10.125 22.885 ( 0.412 1.865 -0.000) 1.910 23.003 ( -0.768 -3.200 0.000) 3.291 24.359 ( -3.404 -2.487 -0.000) 4.216 ======================= Grid point 86 (62/131) ======================= q-point: (-0.40 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.228 -11.493 -8.633) 14.376 1.776 ( -5.922 -10.906 -6.227) 13.885 2.158 ( 1.406 -1.838 2.940) 3.741 2.667 ( -0.115 -7.107 4.473) 8.398 3.069 ( 2.695 4.223 -5.221) 7.235 3.391 ( 1.021 -20.875 -17.465) 27.237 3.725 ( 2.161 -9.325 -6.052) 11.325 4.059 ( -8.472 -5.074 1.074) 9.933 4.439 ( 3.168 3.725 1.331) 5.068 4.759 ( 0.753 -1.269 4.520) 4.755 4.941 ( 7.775 -2.638 4.036) 9.149 5.260 ( -5.206 -7.360 1.917) 9.217 6.224 ( -3.276 3.541 1.580) 5.076 6.392 ( -0.830 12.648 6.419) 14.208 6.680 ( 0.458 -4.570 0.786) 4.660 7.156 ( 3.673 -18.244 -2.529) 18.781 8.120 ( -0.568 -0.404 0.247) 0.740 8.436 ( 1.519 -6.571 0.159) 6.746 8.745 ( 0.967 -5.359 -7.218) 9.042 9.877 ( 9.958 10.237 8.479) 16.609 10.726 ( -3.408 2.808 -8.964) 9.993 11.160 ( -15.276 -13.707 -1.213) 20.560 11.229 ( -1.119 18.035 -4.118) 18.533 11.991 ( -1.053 -12.642 8.988) 15.547 12.199 ( 1.649 -6.132 1.174) 6.458 12.591 ( 5.464 6.599 12.652) 15.280 13.433 ( -8.092 8.172 -3.107) 11.913 13.677 ( 8.668 11.359 -10.741) 17.875 20.204 ( -5.048 7.915 -0.267) 9.392 20.552 ( 4.936 -0.618 2.612) 5.618 21.077 ( 1.152 -1.047 -8.245) 8.391 21.560 ( -3.704 -2.836 -2.018) 5.083 21.746 ( 2.566 -9.443 -6.311) 11.644 22.936 ( -6.095 0.353 -0.052) 6.105 22.999 ( 4.903 0.196 -2.016) 5.305 23.721 ( 1.499 -4.815 18.805) 19.470 ======================= Grid point 87 (63/131) ======================= q-point: (-0.40 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 7.795 -8.302 -15.661) 19.364 1.460 ( 2.388 -11.804 -12.393) 17.281 2.141 ( 1.419 -2.274 2.516) 3.676 2.536 ( -0.076 -5.222 5.807) 7.809 2.926 ( 3.457 -18.913 -11.658) 22.485 3.258 ( 3.380 -2.416 -9.401) 10.278 3.588 ( -2.747 -2.627 -9.106) 9.867 3.939 ( 5.998 -2.540 -2.788) 7.085 4.567 ( 2.526 4.428 4.003) 6.481 4.740 ( -1.798 -1.193 3.368) 4.000 4.924 ( 1.555 -4.302 2.461) 5.194 5.266 ( 8.798 -3.338 3.124) 9.915 6.016 ( -7.039 -5.295 -3.970) 9.661 6.534 ( 2.516 1.084 9.290) 9.685 6.745 ( 1.251 4.457 3.790) 5.983 6.865 ( -0.433 -12.656 -2.288) 12.868 7.911 ( -5.118 -4.876 0.419) 7.081 8.345 ( 5.413 -11.047 8.421) 14.908 8.814 ( -2.989 8.756 -18.738) 20.898 10.046 ( -14.708 2.328 7.171) 16.528 10.693 ( -0.434 7.892 -11.612) 14.047 10.946 ( 12.308 -2.240 -1.722) 12.628 11.574 ( -0.576 16.447 -1.184) 16.499 11.747 ( 6.034 -16.649 12.944) 21.935 12.057 ( -2.273 -6.790 0.691) 7.193 12.689 ( -0.892 -0.506 14.646) 14.682 13.488 ( -8.537 13.403 -5.909) 16.954 13.938 ( -4.026 8.569 -9.379) 13.326 20.264 ( -3.132 6.402 4.206) 8.276 20.711 ( 9.053 2.008 6.101) 11.099 21.106 ( 1.540 -4.241 -19.004) 19.533 21.329 ( -7.906 -2.041 -8.950) 12.115 21.661 ( 4.318 -6.789 -2.391) 8.394 22.838 ( -4.982 1.769 0.486) 5.310 23.019 ( 0.479 -2.320 2.232) 3.254 23.654 ( 4.619 -6.876 20.738) 22.332 ======================= Grid point 88 (64/131) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 5.517 13.447 -0.000) 14.535 1.755 ( -1.968 14.228 -0.000) 14.364 2.508 ( 9.113 17.462 -0.000) 19.697 2.515 ( -1.284 7.632 -0.000) 7.740 2.865 ( 0.792 2.997 -0.000) 3.100 3.128 ( 4.269 9.350 -0.000) 10.278 3.530 ( 3.926 11.707 -0.000) 12.347 4.116 ( 4.617 9.128 -0.000) 10.229 4.461 ( 1.052 -4.311 0.000) 4.438 4.768 ( -2.237 -0.486 -0.000) 2.289 5.203 ( -3.265 1.887 -0.000) 3.771 5.391 ( 8.231 5.512 0.000) 9.906 6.380 ( 9.063 -0.904 0.000) 9.108 6.454 ( -7.521 -21.149 0.000) 22.447 6.678 ( -5.934 5.647 -0.000) 8.192 7.054 ( -1.267 17.646 -0.000) 17.691 7.862 ( -12.700 -3.982 -0.000) 13.309 8.367 ( 10.822 5.157 0.000) 11.988 8.773 ( -3.756 18.666 -0.000) 19.040 9.801 ( -10.926 -8.227 -0.000) 13.677 10.476 ( -8.654 1.623 -0.000) 8.805 11.146 ( 3.594 -21.912 0.000) 22.205 11.506 ( 9.413 10.394 -0.000) 14.023 12.074 ( -7.047 4.517 -0.000) 8.371 12.633 ( -3.943 -7.264 0.000) 8.265 12.765 ( 10.251 -7.548 0.000) 12.730 12.983 ( -7.282 -5.300 -0.000) 9.006 13.402 ( -0.865 2.278 -0.000) 2.436 20.286 ( -0.774 -9.587 0.000) 9.618 20.425 ( 1.479 4.486 -0.000) 4.724 21.016 ( 1.628 3.656 -0.000) 4.002 21.534 ( 0.677 9.324 -0.000) 9.349 21.622 ( 0.706 3.132 -0.000) 3.211 22.891 ( -2.272 -4.631 0.000) 5.158 22.944 ( 0.478 2.717 -0.000) 2.759 24.154 ( -8.075 -7.734 -0.000) 11.181 ======================= Grid point 89 (65/131) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 3.823 7.829 -0.000) 8.712 1.846 ( -6.159 5.364 -0.000) 8.167 2.686 ( -1.518 7.394 -0.000) 7.548 2.708 ( 5.682 -6.741 0.000) 8.816 2.791 ( -5.830 -1.297 -0.000) 5.972 3.486 ( -6.590 18.420 -0.000) 19.563 3.876 ( 7.433 12.122 -0.000) 14.219 4.194 ( -7.175 -2.630 -0.000) 7.642 4.570 ( 17.400 -1.380 0.000) 17.455 4.811 ( 4.404 0.977 0.000) 4.511 5.062 ( -8.983 4.256 -0.000) 9.940 5.503 ( -0.410 -3.841 0.000) 3.862 5.942 ( -5.359 -13.714 0.000) 14.724 6.208 ( -7.566 -9.349 0.000) 12.027 7.024 ( 6.910 12.879 -0.000) 14.616 7.364 ( 1.582 11.768 -0.000) 11.874 7.523 ( -10.995 -5.729 -0.000) 12.398 8.596 ( 6.080 -1.765 0.000) 6.332 8.848 ( -21.037 12.951 -0.000) 24.704 9.550 ( -4.006 -1.739 -0.000) 4.367 10.281 ( -10.829 0.827 -0.000) 10.860 10.856 ( 8.527 -18.651 0.000) 20.508 11.761 ( -1.279 9.204 -0.000) 9.292 11.997 ( -6.323 3.573 -0.000) 7.262 12.380 ( -4.814 -9.174 0.000) 10.360 12.713 ( -4.320 -6.068 0.000) 7.449 12.865 ( 10.049 -7.246 0.000) 12.389 13.460 ( -3.597 7.550 -0.000) 8.363 20.159 ( 4.638 -7.194 0.000) 8.559 20.563 ( 4.524 3.537 0.000) 5.742 21.077 ( -3.886 4.500 -0.000) 5.946 21.603 ( -5.763 3.383 -0.000) 6.683 21.793 ( 3.778 9.957 -0.000) 10.649 22.749 ( -2.130 -4.970 0.000) 5.407 22.994 ( -1.654 3.345 -0.000) 3.732 23.713 ( -13.919 -15.069 0.000) 20.514 ======================= Grid point 90 (66/131) ======================= q-point: (-0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 9.517 -7.301 -12.876) 17.597 1.600 ( 15.982 -2.396 -7.352) 17.754 2.130 ( 1.378 -1.825 -2.780) 3.600 2.505 ( 5.029 -0.253 8.383) 9.779 2.901 ( 18.894 -4.032 -15.324) 24.659 3.191 ( -2.420 -3.183 -6.355) 7.508 3.588 ( 1.930 2.353 -8.940) 9.444 4.082 ( 10.957 -4.001 -5.247) 12.790 4.584 ( -6.765 -9.130 7.918) 13.849 4.677 ( 0.140 2.507 4.656) 5.289 4.831 ( -3.074 4.618 1.143) 5.664 5.275 ( 7.418 -9.394 1.395) 12.051 6.106 ( 7.324 9.046 5.347) 12.809 6.562 ( 9.711 -11.978 -2.556) 15.630 6.658 ( -9.790 3.514 5.522) 11.776 6.860 ( 5.232 2.456 -0.787) 5.833 7.968 ( 6.368 7.902 3.806) 10.839 8.269 ( 7.630 -7.799 5.638) 12.281 8.799 ( -9.103 2.890 -18.578) 20.889 9.864 ( -9.990 8.697 5.413) 14.308 10.750 ( -3.828 4.280 -12.686) 13.925 11.262 ( 12.185 -9.284 0.720) 15.335 11.529 ( -4.671 -2.896 3.081) 6.301 11.790 ( 10.943 -7.646 9.622) 16.456 12.002 ( 3.309 5.814 -0.595) 6.716 12.628 ( -4.268 1.354 15.726) 16.351 13.570 ( -8.227 10.294 -6.947) 14.897 13.841 ( -14.403 2.224 -8.322) 16.783 20.347 ( -1.341 5.517 5.139) 7.658 20.675 ( -9.117 -12.248 -5.818) 16.340 20.989 ( 4.603 2.067 -7.419) 8.972 21.436 ( 6.163 6.196 -5.018) 10.077 21.626 ( 4.468 -5.430 -4.292) 8.239 22.871 ( 0.279 5.936 -0.402) 5.956 23.007 ( 1.391 -1.199 2.233) 2.891 23.626 ( 5.431 -4.821 18.460) 19.838 ======================= Grid point 92 (67/131) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.826 5.308 -0.000) 5.371 1.776 ( -5.153 0.067 -0.000) 5.153 2.485 ( -8.637 -3.585 -0.000) 9.352 2.543 ( -2.185 -12.911 0.000) 13.094 2.881 ( -2.014 7.401 -0.000) 7.670 3.464 ( -16.984 7.944 -0.000) 18.750 3.971 ( -4.865 -3.959 -0.000) 6.272 4.233 ( 5.116 6.566 -0.000) 8.324 4.864 ( 12.400 -2.126 0.000) 12.581 4.907 ( 5.023 0.165 0.000) 5.026 5.155 ( 2.077 10.719 -0.000) 10.918 5.304 ( -2.740 -7.932 0.000) 8.392 5.737 ( -1.766 -3.339 0.000) 3.777 5.787 ( -11.214 -14.563 0.000) 18.380 7.227 ( -8.089 -5.368 -0.000) 9.708 7.261 ( -3.897 7.901 -0.000) 8.810 7.524 ( 0.910 4.299 -0.000) 4.394 8.233 ( -17.421 -12.051 -0.000) 21.183 8.887 ( -9.368 19.248 -0.000) 21.407 9.416 ( -12.289 -0.504 -0.000) 12.299 10.361 ( 10.121 12.792 -0.000) 16.312 10.699 ( 9.449 -18.231 0.000) 20.534 11.888 ( -1.530 8.007 -0.000) 8.152 12.046 ( 2.898 4.937 -0.000) 5.724 12.074 ( -8.610 -8.730 0.000) 12.261 12.515 ( -7.174 -3.516 -0.000) 7.989 12.905 ( 9.029 -7.946 0.000) 12.028 13.528 ( -6.209 8.446 -0.000) 10.483 20.177 ( 8.642 -4.577 0.000) 9.780 20.740 ( 7.101 2.728 0.000) 7.607 21.047 ( -7.951 4.964 -0.000) 9.374 21.486 ( -7.834 -1.089 -0.000) 7.909 22.151 ( 5.373 17.528 -0.000) 18.333 22.618 ( -3.201 -4.504 0.000) 5.525 23.012 ( -4.252 4.570 -0.000) 6.242 23.064 ( -14.334 -19.313 0.000) 24.052 ======================= Grid point 93 (68/131) ======================= q-point: ( 0.10 0.90 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -2.831 -1.191 -0.000) 3.071 1.824 ( -1.783 5.116 -0.000) 5.418 2.284 ( -1.884 -3.409 0.000) 3.895 2.428 ( 3.118 5.380 -0.000) 6.218 2.960 ( -3.004 7.691 -0.000) 8.257 3.271 ( -15.891 5.047 -0.000) 16.673 3.906 ( 5.957 -3.967 0.000) 7.157 4.145 ( -7.660 -9.931 0.000) 12.542 4.999 ( 9.065 -3.205 0.000) 9.614 5.003 ( -4.320 -2.056 -0.000) 4.784 5.234 ( 10.736 0.563 0.000) 10.751 5.272 ( -8.922 -10.600 0.000) 13.855 5.439 ( 4.675 5.277 -0.000) 7.050 5.707 ( -1.911 3.945 -0.000) 4.383 6.988 ( -5.475 -4.930 -0.000) 7.368 7.231 ( -3.334 0.941 -0.000) 3.464 7.674 ( -1.469 10.720 -0.000) 10.820 7.893 ( -4.752 2.778 -0.000) 5.505 9.115 ( -5.932 18.420 -0.000) 19.352 9.159 ( -12.048 2.476 -0.000) 12.300 10.453 ( 3.265 -19.306 0.000) 19.580 10.961 ( 14.287 15.745 -0.000) 21.260 11.719 ( -9.853 -7.543 -0.000) 12.409 12.057 ( 1.784 9.695 -0.000) 9.858 12.248 ( 7.534 3.037 0.000) 8.123 12.269 ( -9.011 -4.203 -0.000) 9.943 12.914 ( 6.031 -6.407 0.000) 8.799 13.535 ( -7.423 6.126 -0.000) 9.624 20.303 ( 10.699 -2.375 0.000) 10.959 20.906 ( 0.414 3.147 -0.000) 3.174 21.028 ( -1.508 6.183 -0.000) 6.365 21.278 ( -10.207 -1.563 -0.000) 10.326 22.180 ( -14.030 -19.600 0.000) 24.103 22.678 ( 7.679 21.566 -0.000) 22.893 22.738 ( 1.762 -2.333 0.000) 2.924 23.019 ( -3.941 5.302 -0.000) 6.607 ======================= Grid point 96 (69/131) ======================= q-point: ( 0.60 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.426 3.061 -3.140) 4.406 1.862 ( 3.680 -4.687 -0.425) 5.974 2.275 ( -0.504 2.642 2.291) 3.533 2.683 ( 3.346 -6.964 1.156) 7.812 3.067 ( -4.457 1.771 -1.212) 4.947 3.647 ( 3.440 -13.605 -3.986) 14.588 3.972 ( 0.026 -4.835 -5.656) 7.441 4.000 ( -3.466 2.283 -5.009) 6.505 4.589 ( 2.756 11.235 1.216) 11.632 4.796 ( -0.922 5.400 0.837) 5.542 5.207 ( -12.410 -0.498 3.952) 13.034 5.378 ( 7.366 -3.953 -0.545) 8.378 5.819 ( -2.577 -2.673 -1.025) 3.852 5.985 ( 6.256 -6.377 -1.381) 9.040 6.829 ( 3.453 2.066 -3.215) 5.150 7.564 ( -14.109 -6.735 1.826) 15.740 7.821 ( 9.219 -7.884 -1.770) 12.259 8.428 ( 0.031 -7.592 -3.204) 8.241 8.905 ( -2.427 -3.609 2.497) 5.015 9.650 ( -7.731 -3.405 -0.154) 8.449 10.292 ( 3.265 -14.827 -1.357) 15.242 10.778 ( 8.682 8.327 9.068) 15.065 11.672 ( 6.122 1.450 -6.927) 9.358 12.185 ( -5.090 0.748 2.297) 5.634 12.209 ( -0.007 -3.125 1.473) 3.455 12.707 ( 0.290 4.125 2.235) 4.700 12.767 ( -0.090 -10.599 -0.074) 10.599 13.557 ( -2.252 -0.033 -2.171) 3.128 20.232 ( 3.713 8.173 8.876) 12.624 20.599 ( -4.128 2.242 -0.314) 4.709 21.119 ( -1.790 -0.930 -2.347) 3.095 21.462 ( 3.120 -7.602 -5.719) 10.011 21.927 ( -0.626 0.913 -7.967) 8.044 22.750 ( 1.176 -3.008 2.961) 4.382 23.088 ( 0.275 -0.678 -0.388) 0.828 23.472 ( -1.911 -14.987 6.081) 16.286 ======================= Grid point 98 (70/131) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -1.850 -0.959 -0.000) 2.083 1.803 ( -8.611 2.233 -0.000) 8.896 2.408 ( 7.061 7.922 -0.000) 10.612 2.700 ( 10.596 1.762 0.000) 10.742 3.025 ( -15.305 1.429 -0.000) 15.372 3.169 ( -0.166 14.813 -0.000) 14.814 3.832 ( -0.469 -4.749 0.000) 4.772 3.911 ( 2.003 -7.761 0.000) 8.015 4.746 ( -9.568 -6.281 -0.000) 11.445 5.003 ( 7.533 -10.745 0.000) 13.122 5.181 ( 0.891 6.735 -0.000) 6.794 5.514 ( 11.674 0.111 0.000) 11.674 5.619 ( 7.963 2.007 0.000) 8.212 5.776 ( -4.313 7.691 -0.000) 8.818 6.845 ( -2.047 -1.904 -0.000) 2.796 7.310 ( 2.517 9.051 -0.000) 9.395 7.862 ( 1.770 8.234 -0.000) 8.422 7.974 ( -3.558 4.746 -0.000) 5.932 9.101 ( -5.502 9.169 -0.000) 10.693 9.373 ( -0.525 15.139 -0.000) 15.148 10.151 ( -1.947 -8.691 0.000) 8.906 11.274 ( 0.276 -2.187 0.000) 2.205 11.432 ( -6.412 -5.285 -0.000) 8.310 12.087 ( -3.948 2.617 -0.000) 4.736 12.386 ( 2.409 17.921 -0.000) 18.082 12.416 ( 8.510 -1.725 0.000) 8.683 12.887 ( 5.969 -7.878 0.000) 9.884 13.489 ( -6.342 3.025 -0.000) 7.027 20.482 ( 10.412 -1.286 0.000) 10.491 20.924 ( -8.855 9.742 -0.000) 13.166 21.038 ( -11.330 -1.003 -0.000) 11.374 21.086 ( 1.008 -8.349 0.000) 8.410 21.686 ( -0.779 -8.198 0.000) 8.235 22.796 ( 2.821 1.753 0.000) 3.322 22.961 ( -6.720 7.281 -0.000) 9.909 23.364 ( 13.347 18.062 -0.000) 22.458 ======================= Grid point 99 (71/131) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -4.985 -2.729 -0.000) 5.683 1.582 ( -16.546 1.177 -0.000) 16.588 2.698 ( 3.702 3.294 0.000) 4.955 2.756 ( -11.417 2.714 -0.000) 11.735 2.848 ( 6.298 -2.523 0.000) 6.785 3.203 ( -2.224 -5.515 0.000) 5.947 3.706 ( -5.698 -6.172 0.000) 8.400 4.073 ( -3.389 15.125 -0.000) 15.500 4.510 ( 1.915 -3.726 0.000) 4.190 4.932 ( -1.326 -5.001 0.000) 5.174 5.272 ( 2.105 -0.955 0.000) 2.312 5.543 ( -3.548 -5.314 0.000) 6.389 5.885 ( 1.789 6.962 -0.000) 7.188 5.961 ( 18.024 6.913 0.000) 19.304 6.813 ( 0.109 -0.560 0.000) 0.570 7.606 ( 1.447 13.620 -0.000) 13.697 7.706 ( -19.546 -7.192 -0.000) 20.827 8.066 ( 6.721 3.204 0.000) 7.445 9.217 ( -5.815 8.452 -0.000) 10.260 9.724 ( 6.773 13.835 -0.000) 15.404 10.142 ( -0.543 9.021 -0.000) 9.037 11.069 ( 1.741 -11.566 0.000) 11.696 11.225 ( -4.642 -6.042 0.000) 7.619 12.133 ( -4.985 7.477 -0.000) 8.986 12.556 ( 11.016 -2.627 0.000) 11.325 12.713 ( -3.389 9.704 -0.000) 10.278 12.940 ( 12.187 0.520 0.000) 12.198 13.390 ( -5.501 -1.555 -0.000) 5.717 20.604 ( 3.548 -3.485 0.000) 4.973 20.744 ( -4.975 -11.145 0.000) 12.205 20.835 ( -7.185 1.923 -0.000) 7.438 21.026 ( -1.457 6.782 -0.000) 6.937 21.732 ( 2.894 2.496 0.000) 3.822 22.877 ( 1.204 1.839 -0.000) 2.198 22.957 ( -3.071 2.844 -0.000) 4.185 23.937 ( 10.861 13.862 -0.000) 17.610 ======================= Grid point 100 (72/131) ======================= q-point: ( 0.60 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -3.083 -1.896 -0.545) 3.660 1.831 ( -2.015 0.482 6.268) 6.602 2.303 ( -0.015 1.023 -6.913) 6.989 2.534 ( -1.171 -8.148 -1.761) 8.419 3.034 ( 2.989 -3.053 3.556) 5.559 3.360 ( 1.154 -9.437 2.368) 9.798 3.923 ( -5.938 2.237 -3.274) 7.140 4.087 ( 4.648 2.866 -2.859) 6.164 4.877 ( -0.694 2.128 2.970) 3.719 4.906 ( -9.790 2.636 3.805) 10.829 4.967 ( -0.541 17.078 -4.556) 17.684 5.380 ( 6.538 -7.441 -3.169) 10.400 5.755 ( -0.375 -3.883 -4.749) 6.146 5.931 ( 4.052 -9.847 -3.293) 11.145 6.934 ( 0.200 1.122 -4.681) 4.818 7.211 ( -6.570 -0.397 7.085) 9.670 7.912 ( 14.468 -5.461 -4.960) 16.240 8.088 ( -6.576 -16.162 -1.894) 17.551 8.827 ( 1.076 0.712 9.703) 9.789 9.518 ( 3.532 -8.658 0.567) 9.368 10.198 ( 0.467 1.301 0.546) 1.487 11.117 ( 6.351 1.521 3.075) 7.218 11.648 ( -0.200 -3.263 -0.969) 3.410 12.013 ( -11.220 -0.458 3.150) 11.662 12.219 ( 5.355 0.443 -2.382) 5.877 12.582 ( 6.224 -11.586 -2.830) 13.453 12.858 ( -2.811 7.932 -4.091) 9.357 13.538 ( 3.538 -2.939 4.128) 6.180 20.389 ( -3.811 3.858 -2.117) 5.821 20.706 ( 6.534 8.754 8.607) 13.907 21.003 ( -2.522 -5.685 1.129) 6.321 21.337 ( 0.345 -7.648 -4.790) 9.031 21.956 ( -3.451 5.441 1.744) 6.675 22.718 ( -0.471 -1.123 -0.886) 1.506 23.010 ( -1.525 -5.532 3.165) 6.553 23.253 ( 10.649 -12.624 -6.219) 17.647 ======================= Grid point 101 (73/131) ======================= q-point: ( 0.60 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -0.218 2.752 2.227) 3.546 1.829 ( -1.650 2.785 7.542) 8.207 2.314 ( -1.380 0.146 -8.332) 8.447 2.480 ( 6.495 0.076 -2.681) 7.027 3.099 ( 6.470 -2.129 -0.644) 6.841 3.353 ( 7.981 -0.825 8.499) 11.688 3.884 ( -0.204 1.530 0.403) 1.595 4.153 ( -2.967 -0.472 6.297) 6.977 4.662 ( -10.829 3.876 4.073) 12.201 4.962 ( -5.240 3.392 -2.360) 6.673 5.171 ( 2.447 0.690 -3.838) 4.604 5.483 ( -1.842 -1.986 -2.831) 3.918 5.678 ( 10.610 0.279 -4.204) 11.416 5.838 ( 3.470 -5.583 -2.323) 6.972 6.853 ( -4.891 0.805 2.317) 5.472 7.391 ( 9.443 10.350 2.710) 14.270 7.736 ( 3.233 -14.806 0.962) 15.185 8.185 ( 14.807 1.456 -5.484) 15.857 8.890 ( 1.539 -0.032 6.940) 7.108 9.530 ( 15.252 -6.012 0.389) 16.398 10.222 ( -4.613 1.960 4.289) 6.596 10.913 ( -9.423 -6.162 -8.074) 13.854 11.706 ( -5.028 0.877 7.883) 9.391 11.952 ( 6.345 6.581 -1.447) 9.256 12.329 ( -1.381 2.111 -5.284) 5.856 12.513 ( 12.044 -10.057 -0.703) 15.707 12.882 ( -5.817 2.677 -4.050) 7.577 13.566 ( 4.951 -3.726 5.033) 7.983 20.328 ( -7.667 3.020 -8.754) 12.022 20.768 ( -4.302 -5.546 0.670) 7.051 21.082 ( 9.503 1.963 8.786) 13.090 21.247 ( 2.257 0.225 1.626) 2.791 21.960 ( -4.840 3.272 11.324) 12.742 22.703 ( 0.185 0.431 -3.399) 3.431 22.992 ( 5.424 0.309 0.498) 5.456 23.295 ( 14.173 -9.440 -11.245) 20.407 ======================= Grid point 102 (74/131) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -24.396 10.145 -0.000) 26.421 1.273 ( -12.839 -5.704 -0.000) 14.049 2.537 ( -7.667 1.437 -0.000) 7.800 2.771 ( -10.498 -11.782 0.000) 15.781 2.799 ( -2.838 -0.106 -0.000) 2.840 3.019 ( -1.625 -2.250 0.000) 2.776 3.494 ( -8.695 -2.005 -0.000) 8.923 4.012 ( -11.687 4.047 -0.000) 12.368 4.586 ( 3.679 -3.854 0.000) 5.328 4.829 ( -2.736 1.646 -0.000) 3.193 5.234 ( -0.700 -4.792 0.000) 4.843 5.312 ( -5.890 -8.486 0.000) 10.330 6.054 ( 0.136 7.482 -0.000) 7.483 6.499 ( 20.934 6.114 0.000) 21.808 6.828 ( 2.143 1.233 0.000) 2.472 7.144 ( -22.193 -3.927 -0.000) 22.538 7.853 ( -1.510 12.247 -0.000) 12.340 8.191 ( 3.651 -1.876 0.000) 4.105 8.981 ( -21.216 -5.095 -0.000) 21.819 10.120 ( 11.407 5.248 0.000) 12.556 10.382 ( -3.915 19.132 -0.000) 19.528 10.981 ( -5.960 -7.598 0.000) 9.657 11.135 ( 19.490 -3.412 0.000) 19.786 12.131 ( -6.717 4.225 -0.000) 7.935 12.731 ( 10.545 -3.117 0.000) 10.996 12.753 ( 1.530 -0.226 0.000) 1.547 13.233 ( -3.027 -4.211 0.000) 5.186 13.238 ( 5.974 7.089 -0.000) 9.270 20.472 ( -5.871 -3.157 -0.000) 6.666 20.527 ( 4.215 -9.229 0.000) 10.146 20.851 ( -0.055 3.081 -0.000) 3.082 21.159 ( -2.795 10.279 -0.000) 10.652 21.749 ( -3.563 -1.240 -0.000) 3.773 22.905 ( -0.935 0.830 -0.000) 1.251 22.965 ( 1.026 0.132 0.000) 1.035 24.285 ( 5.816 4.387 0.000) 7.286 ======================= Grid point 108 (75/131) ======================= q-point: (-0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -0.000 0.000 -23.553) 23.553 0.526 ( -0.000 0.000 -23.553) 23.553 1.079 ( -0.000 0.000 -48.454) 48.454 2.474 ( 0.000 -0.000 4.114) 4.114 2.474 ( 0.000 -0.000 4.114) 4.114 3.110 ( -0.000 0.000 -3.284) 3.284 3.786 ( 0.000 -0.000 0.483) 0.483 3.786 ( 0.000 -0.000 0.483) 0.483 4.829 ( -0.000 0.000 -1.959) 1.959 4.840 ( 0.000 -0.000 5.739) 5.739 4.899 ( -0.000 0.000 -2.030) 2.030 4.899 ( -0.000 0.000 -2.030) 2.030 5.799 ( -0.000 0.000 -3.751) 3.751 5.799 ( -0.000 0.000 -3.751) 3.751 6.596 ( -0.000 0.000 -0.791) 0.791 7.261 ( 0.000 -0.000 5.748) 5.748 7.990 ( 0.000 -0.000 4.001) 4.001 7.990 ( 0.000 -0.000 4.001) 4.001 9.336 ( -0.000 0.000 -6.531) 6.531 10.512 ( 0.000 -0.000 3.274) 3.274 10.595 ( -0.000 0.000 -8.646) 8.646 10.715 ( 0.000 -0.000 1.100) 1.100 10.715 ( 0.000 -0.000 1.100) 1.100 11.944 ( -0.000 0.000 -0.830) 0.830 11.944 ( -0.000 0.000 -0.830) 0.830 13.069 ( 0.000 -0.000 15.345) 15.345 13.631 ( -0.000 0.000 -8.711) 8.711 14.546 ( 0.000 -0.000 2.905) 2.905 20.395 ( -0.000 0.000 -14.422) 14.422 20.762 ( 0.000 -0.000 7.938) 7.938 20.762 ( 0.000 -0.000 7.938) 7.938 21.332 ( -0.000 0.000 -7.287) 7.287 21.332 ( -0.000 0.000 -7.287) 7.287 22.862 ( -0.000 0.000 -1.574) 1.574 23.031 ( 0.000 -0.000 4.540) 4.540 23.272 ( 0.000 -0.000 2.935) 2.935 ======================= Grid point 109 (76/131) ======================= q-point: ( 0.38 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 1.159 4.096 4.253) 6.017 1.981 ( 1.408 0.620 1.003) 1.836 2.356 ( -2.755 -3.307 -12.603) 13.318 2.852 ( 0.618 -2.001 -1.291) 2.460 2.932 ( 1.525 5.150 0.132) 5.372 3.631 ( 7.135 10.732 14.291) 19.243 3.917 ( 4.436 7.047 6.936) 10.838 4.261 ( -4.850 -7.468 -1.758) 9.077 4.446 ( 1.750 -3.672 -11.491) 12.190 4.720 ( -1.085 0.635 2.578) 2.868 5.333 ( -1.159 -4.635 -7.270) 8.699 5.407 ( -1.712 0.889 0.374) 1.965 5.897 ( 1.925 -3.978 3.501) 5.638 5.980 ( 1.598 -3.051 3.515) 4.921 6.913 ( 3.033 5.211 -4.989) 7.826 7.719 ( -1.676 1.457 -0.527) 2.283 7.847 ( -3.844 -0.709 4.612) 6.046 8.366 ( 7.552 3.667 9.392) 12.597 9.238 ( -0.890 -6.118 -14.645) 15.896 9.675 ( 0.942 -3.963 5.184) 6.593 10.614 ( -7.600 5.202 -2.205) 9.470 10.825 ( -1.798 5.239 -1.441) 5.723 11.599 ( 6.829 4.702 1.665) 8.457 12.187 ( 6.428 -7.663 1.805) 10.163 12.298 ( -6.241 -2.272 -0.392) 6.653 12.364 ( -2.405 -6.541 0.142) 6.971 13.237 ( -11.377 1.412 4.101) 12.175 13.453 ( 10.905 6.938 -3.470) 13.382 20.102 ( -6.499 0.127 -5.161) 8.300 20.547 ( 0.044 -1.693 2.558) 3.068 21.122 ( 2.953 5.065 -2.161) 6.249 21.598 ( 4.554 1.197 2.706) 5.431 21.882 ( 3.920 2.974 4.691) 6.798 22.897 ( -6.098 0.118 1.168) 6.210 23.004 ( 3.682 1.637 -0.777) 4.104 23.853 ( -3.607 -10.426 -3.879) 11.694 ======================= Grid point 110 (77/131) ======================= q-point: (-0.62 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 3.155 -0.671 -0.349) 3.244 1.920 ( -2.381 -3.792 -0.234) 4.484 2.237 ( 0.002 -5.191 -6.603) 8.399 2.719 ( -4.938 -5.969 -1.227) 7.843 3.084 ( 2.417 3.843 4.875) 6.662 3.793 ( -3.122 -3.195 -7.386) 8.631 4.043 ( 1.266 -3.385 -0.573) 3.659 4.132 ( 2.665 -2.011 -1.683) 3.739 4.439 ( 5.093 -0.087 -3.032) 5.928 4.696 ( 1.133 -0.847 3.577) 3.847 5.145 ( 0.899 -10.258 0.408) 10.306 5.310 ( -0.188 -4.443 0.197) 4.451 5.954 ( -4.232 6.934 3.774) 8.958 5.987 ( -4.379 5.347 5.126) 8.605 6.913 ( -0.346 -5.424 -12.074) 13.241 7.530 ( 0.635 -13.557 5.890) 14.795 8.006 ( -3.801 12.458 2.863) 13.336 8.394 ( -4.092 -6.185 5.074) 8.986 9.102 ( 2.456 -4.332 -15.488) 16.269 9.706 ( 4.957 0.759 10.349) 11.500 10.591 ( -13.153 8.746 -5.873) 16.852 10.783 ( -12.539 10.668 0.731) 16.479 11.535 ( 7.199 -11.429 -4.935) 14.381 12.027 ( -1.562 -9.068 5.440) 10.689 12.252 ( -3.076 -2.748 -0.116) 4.127 12.459 ( 11.365 1.184 6.539) 13.166 13.070 ( -13.456 8.094 0.348) 15.706 13.757 ( 2.627 8.875 -4.331) 10.219 20.032 ( -2.153 1.538 0.636) 2.722 20.571 ( 4.246 -0.030 2.654) 5.007 21.260 ( 0.920 4.771 -5.922) 7.660 21.600 ( -1.932 -2.130 -1.808) 3.397 22.038 ( 5.932 1.498 -4.102) 7.366 22.758 ( -6.579 0.273 1.896) 6.852 23.118 ( 2.120 0.958 -2.127) 3.152 23.475 ( -10.364 -10.516 9.056) 17.321 ======================= Grid point 113 (78/131) ======================= q-point: (-0.62 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.026 -2.815 -3.832) 4.755 1.822 ( 3.311 -3.028 -1.443) 4.713 2.168 ( 1.635 -2.944 -1.965) 3.899 2.503 ( -4.389 -4.433 1.098) 6.334 3.156 ( 1.790 1.385 1.973) 3.003 3.603 ( -4.746 -1.698 -9.334) 10.608 3.856 ( -1.519 -12.518 -2.623) 12.880 4.231 ( 3.482 1.205 -2.988) 4.744 4.478 ( 3.774 -3.912 -1.385) 5.609 4.715 ( 3.633 -4.881 3.992) 7.277 5.021 ( 1.767 -6.460 1.697) 6.909 5.355 ( 6.249 0.681 3.398) 7.146 5.821 ( -13.331 1.714 4.692) 14.236 6.067 ( -7.050 13.059 4.153) 15.411 6.876 ( 4.808 -1.904 -9.142) 10.503 7.255 ( 0.430 -13.590 2.696) 13.861 7.969 ( -3.968 -5.902 -1.515) 7.271 8.176 ( -7.232 2.535 9.867) 12.493 9.134 ( 2.626 -1.534 -15.543) 15.838 9.684 ( -6.829 -2.695 7.341) 10.383 10.595 ( -11.350 15.162 -8.298) 20.678 10.953 ( 4.195 18.936 2.931) 19.616 11.582 ( 11.782 -5.213 -4.159) 13.539 11.885 ( 1.967 -7.157 4.226) 8.541 12.096 ( -2.400 -5.847 2.503) 6.798 12.502 ( -0.015 -6.803 7.960) 10.471 13.087 ( -9.721 15.278 -2.308) 18.255 13.862 ( -5.645 4.656 -3.600) 8.155 20.075 ( 2.411 2.373 3.888) 5.153 20.712 ( 7.329 2.244 2.953) 8.214 21.340 ( -2.351 4.901 -3.235) 6.326 21.455 ( -7.504 -3.481 -8.270) 11.697 22.103 ( 2.548 -7.454 -17.536) 19.224 22.669 ( -3.762 1.430 2.579) 4.780 22.944 ( -3.352 -4.712 11.303) 12.696 23.359 ( -1.301 4.719 8.559) 9.860 ======================= Grid point 114 (79/131) ======================= q-point: (-0.62 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.251 -3.003 -1.313) 3.508 1.899 ( 4.886 -0.149 -1.213) 5.037 2.213 ( 3.752 1.472 -3.605) 5.407 2.454 ( 5.210 0.070 3.771) 6.432 3.306 ( 1.247 6.268 -7.466) 9.828 3.469 ( 1.506 -4.850 -3.664) 6.262 3.745 ( 3.063 0.482 -3.260) 4.499 4.164 ( -11.341 2.760 6.817) 13.517 4.453 ( 2.859 -7.254 10.049) 12.719 4.700 ( 9.523 -10.923 -3.694) 14.955 4.932 ( 3.555 -1.850 -6.440) 7.586 5.461 ( 4.873 -2.240 3.588) 6.453 5.707 ( -7.118 8.587 8.877) 14.255 6.179 ( -8.938 11.251 3.034) 14.686 6.907 ( 0.694 -2.674 -1.614) 3.200 7.175 ( 10.332 -2.046 -5.941) 12.093 7.932 ( 5.129 0.407 3.247) 6.084 8.163 ( -2.475 6.330 6.511) 9.412 9.092 ( -0.715 -2.633 -14.386) 14.643 9.528 ( -3.718 -1.156 5.812) 6.995 10.655 ( -11.515 15.632 -6.844) 20.587 11.340 ( -5.400 5.097 -2.331) 7.783 11.728 ( 10.856 -3.071 -5.419) 12.516 11.849 ( -0.821 4.232 2.754) 5.116 12.016 ( 11.455 -6.450 7.505) 15.138 12.340 ( 0.111 -6.901 8.831) 11.208 13.197 ( -11.039 16.263 -3.769) 20.014 13.744 ( -8.356 -1.459 -2.290) 8.786 20.206 ( 5.024 3.007 3.327) 6.734 20.822 ( -0.435 -6.348 -0.955) 6.435 21.203 ( -6.801 -1.361 -13.739) 15.390 21.397 ( -1.188 5.713 1.368) 5.993 21.863 ( -4.059 -7.248 1.252) 8.401 22.756 ( 2.208 6.275 -0.940) 6.718 23.023 ( 7.961 2.255 2.914) 8.773 23.402 ( -1.842 4.141 6.327) 7.782 ======================= Grid point 115 (80/131) ======================= q-point: (-0.13 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 4.052 8.066 -5.082) 10.358 1.616 ( 0.083 7.348 -6.329) 9.698 2.484 ( 5.353 3.522 8.654) 10.768 2.639 ( -6.629 -2.349 5.808) 9.121 3.040 ( 6.499 -5.348 -2.338) 8.736 3.189 ( -3.405 4.205 -9.000) 10.501 3.788 ( 7.011 9.378 -1.168) 11.767 4.092 ( -6.006 2.405 -4.791) 8.050 4.645 ( -3.539 6.052 2.694) 7.511 4.873 ( 5.727 2.517 -0.302) 6.263 5.178 ( 14.398 -8.035 5.935) 17.524 5.482 ( -3.188 -0.355 -1.042) 3.373 5.933 ( -9.797 -1.139 5.172) 11.137 6.059 ( -11.855 -7.039 1.280) 13.846 6.881 ( -3.317 6.660 0.945) 7.500 7.204 ( 12.006 -3.812 5.646) 13.804 7.758 ( 0.219 2.881 -12.200) 12.537 8.293 ( -11.669 -1.531 -3.561) 12.296 8.794 ( 6.197 -6.691 6.839) 11.399 9.571 ( -3.094 -8.073 -3.218) 9.225 10.195 ( -5.962 -3.101 -2.460) 7.156 11.188 ( -5.727 0.661 3.237) 6.612 11.519 ( -0.595 8.170 -5.831) 10.055 11.884 ( 2.236 -2.241 0.684) 3.239 12.414 ( -0.195 -5.622 6.104) 8.301 12.747 ( -10.496 -7.861 -2.105) 13.281 12.966 ( 3.983 2.456 10.649) 11.631 13.451 ( -1.551 -2.956 -10.110) 10.647 20.424 ( 4.777 0.416 4.947) 6.889 20.685 ( 10.038 -6.830 -6.824) 13.928 20.902 ( -6.781 3.191 -2.079) 7.777 21.298 ( -5.944 10.644 -1.262) 12.256 21.767 ( 0.894 1.928 -2.735) 3.464 22.779 ( -0.716 -2.014 3.225) 3.869 22.963 ( -1.806 -1.752 -3.349) 4.189 23.713 ( -9.020 -15.665 8.764) 20.089 ======================= Grid point 116 (81/131) ======================= q-point: (-0.13 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 1.647 1.299 -4.739) 5.182 1.728 ( -0.131 4.202 -3.555) 5.506 2.389 ( -7.603 -5.545 1.592) 9.544 2.547 ( -1.600 -6.090 12.009) 13.560 2.951 ( 0.947 -7.300 -3.786) 8.278 3.069 ( -9.447 1.224 -4.932) 10.727 3.960 ( -0.026 3.347 -0.734) 3.426 4.143 ( 1.655 7.978 -1.960) 8.381 4.822 ( 1.409 10.795 -1.082) 10.940 4.978 ( 3.968 -1.365 -0.109) 4.198 5.292 ( -2.320 0.703 4.029) 4.702 5.387 ( 11.142 -9.247 0.448) 14.486 5.689 ( -10.076 -1.034 2.268) 10.380 5.779 ( -8.623 -5.450 -0.946) 10.245 6.972 ( -3.673 9.819 -1.257) 10.559 7.179 ( 3.322 -8.243 1.793) 9.066 7.746 ( -10.360 1.417 -1.633) 10.584 7.887 ( -6.326 -14.754 1.360) 16.111 8.786 ( 5.091 -3.077 -0.127) 5.950 9.250 ( -11.128 -8.375 -1.776) 14.040 10.342 ( 10.222 13.039 -1.383) 16.625 11.150 ( 1.380 -5.702 3.450) 6.806 11.603 ( -1.310 4.825 -2.167) 5.449 11.961 ( 1.084 2.984 -0.316) 3.190 12.194 ( -2.539 -9.158 -1.871) 9.686 12.479 ( -5.552 -3.939 3.072) 7.468 13.102 ( 2.552 4.230 5.362) 7.291 13.353 ( -2.299 -3.439 -5.568) 6.936 20.538 ( 9.448 -3.666 -0.820) 10.168 20.769 ( -1.317 0.030 -1.921) 2.330 20.837 ( 0.763 3.732 0.848) 3.903 21.277 ( -7.862 -0.070 3.109) 8.455 21.950 ( 3.994 13.652 -5.375) 15.206 22.728 ( 0.891 -4.352 -0.822) 4.517 22.867 ( -4.347 -1.501 -0.372) 4.614 23.157 ( -10.624 -17.835 5.277) 21.420 ======================= Grid point 117 (82/131) ======================= q-point: (-0.62 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.773 -0.715 1.239) 1.625 1.959 ( 1.542 -0.044 1.225) 1.970 2.308 ( 5.360 -1.413 -9.477) 10.979 2.674 ( 8.861 4.627 4.898) 11.132 3.117 ( -9.174 -4.271 -6.987) 12.297 3.686 ( -2.336 4.273 6.428) 8.064 3.907 ( 4.555 5.954 0.904) 7.550 4.066 ( -1.892 9.178 4.803) 10.530 4.359 ( 6.211 -8.553 -3.721) 11.206 4.709 ( 4.438 -2.289 4.059) 6.435 5.103 ( 12.142 0.733 -10.750) 16.233 5.467 ( 4.218 -5.099 3.414) 7.446 5.799 ( -5.258 10.067 7.190) 13.442 6.096 ( -9.876 0.495 4.687) 10.943 6.906 ( -0.046 1.840 -3.772) 4.197 7.458 ( 15.062 2.810 -3.580) 15.735 7.989 ( -3.820 1.966 0.129) 4.299 8.302 ( -0.619 5.841 12.068) 13.421 9.100 ( 5.669 -0.419 -12.926) 14.121 9.514 ( 2.574 2.420 6.027) 6.986 10.768 ( -6.524 12.410 -6.479) 15.445 11.058 ( -15.152 -6.069 -6.236) 17.473 11.674 ( -0.124 -7.384 2.094) 7.676 11.970 ( 3.641 4.173 5.111) 7.536 12.256 ( 5.534 3.356 0.814) 6.523 12.297 ( 11.195 -8.754 5.380) 15.196 13.315 ( -9.788 16.591 -4.319) 19.742 13.515 ( -6.524 -6.201 -0.187) 9.003 20.307 ( -0.402 -4.733 -5.287) 7.107 20.518 ( -0.932 -6.778 -0.078) 6.842 21.167 ( -4.008 2.572 -5.489) 7.267 21.515 ( 0.011 5.489 3.264) 6.386 21.800 ( -0.613 4.642 7.485) 8.829 22.907 ( -0.085 6.268 -1.702) 6.495 23.059 ( -0.761 -5.786 -0.401) 5.850 23.605 ( 10.988 5.219 1.396) 12.244 ======================= Grid point 119 (83/131) ======================= q-point: (-0.13 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.920 -1.277 -4.301) 4.580 1.751 ( -0.920 1.277 -4.301) 4.580 2.294 ( -1.338 -5.560 3.965) 6.959 2.294 ( 1.338 5.560 3.965) 6.959 2.952 ( -3.148 -0.128 -1.110) 3.341 2.952 ( 3.148 0.128 -1.110) 3.341 4.124 ( -7.385 -2.341 -1.377) 7.869 4.124 ( 7.385 2.341 -1.377) 7.869 4.993 ( -1.074 -3.369 0.889) 3.646 4.993 ( 1.074 3.369 0.889) 3.646 5.347 ( -6.794 -4.588 0.611) 8.221 5.347 ( 6.794 4.588 0.611) 8.221 5.575 ( -3.542 -1.849 -1.520) 4.275 5.575 ( 3.542 1.849 -1.520) 4.275 7.092 ( 4.827 -9.895 -1.508) 11.113 7.092 ( -4.827 9.895 -1.508) 11.113 7.624 ( 6.035 -10.815 2.544) 12.643 7.624 ( -6.035 10.815 2.544) 12.643 8.925 ( -6.757 -5.227 -0.017) 8.543 8.925 ( 6.757 5.227 -0.017) 8.543 10.867 ( -6.192 -17.732 -0.221) 18.783 10.867 ( 6.192 17.732 -0.221) 18.783 11.768 ( -2.179 -11.056 0.668) 11.288 11.768 ( 2.179 11.056 0.668) 11.288 12.282 ( -5.058 -6.101 -0.266) 7.930 12.282 ( 5.058 6.101 -0.266) 7.930 13.231 ( 2.746 -7.865 -0.176) 8.332 13.231 ( -2.746 7.865 -0.176) 8.332 20.656 ( -0.460 -2.751 -3.270) 4.298 20.656 ( 0.460 2.751 -3.270) 4.298 21.053 ( -8.553 -4.262 4.370) 10.508 21.053 ( 8.553 4.262 4.370) 10.508 22.410 ( -7.311 -19.013 -2.615) 20.537 22.410 ( 7.311 19.013 -2.615) 20.537 22.839 ( 0.429 -4.931 1.508) 5.174 22.839 ( -0.429 4.931 1.508) 5.174 ======================= Grid point 129 (84/131) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 1.016 -10.575 -14.395) 17.891 1.511 ( -5.512 -15.886 -10.201) 19.668 2.118 ( 0.681 -2.106 -2.286) 3.182 2.521 ( 1.340 -7.348 6.539) 9.927 2.876 ( 1.231 -22.433 -13.452) 26.186 3.195 ( 2.557 0.635 -8.824) 9.209 3.622 ( 0.467 0.116 -10.477) 10.488 3.955 ( -7.008 -5.767 -1.809) 9.254 4.503 ( 1.873 2.957 3.426) 4.897 4.717 ( 2.511 -0.406 4.347) 5.037 4.954 ( 1.278 1.511 0.123) 1.983 5.125 ( -0.183 -5.940 1.906) 6.241 6.188 ( -6.360 -6.962 -2.990) 9.892 6.423 ( 4.027 -10.400 7.805) 13.612 6.712 ( 1.828 2.357 5.372) 6.145 6.890 ( -0.192 -2.575 0.055) 2.582 8.042 ( -5.755 -6.146 1.698) 8.589 8.210 ( 6.309 -13.925 6.559) 16.635 8.841 ( 0.660 13.490 -18.414) 22.836 10.089 ( 11.114 10.405 8.691) 17.531 10.780 ( -4.100 2.498 -12.365) 13.264 10.925 ( -14.602 -9.824 -0.141) 17.600 11.535 ( 2.889 4.252 2.506) 5.720 11.708 ( -1.382 -9.002 7.652) 11.896 12.077 ( 1.035 -5.551 -0.066) 5.647 12.673 ( 2.266 2.053 15.943) 16.234 13.619 ( -3.999 9.516 -5.913) 11.896 13.931 ( 4.613 15.087 -9.438) 18.384 20.377 ( -6.531 9.093 1.705) 11.325 20.549 ( 4.904 0.416 2.444) 5.495 21.042 ( 3.288 -2.942 -12.308) 13.075 21.501 ( -7.559 -3.672 -6.646) 10.714 21.560 ( 5.817 -7.611 -3.895) 10.341 22.933 ( -2.653 -0.615 -1.548) 3.132 22.997 ( 1.622 -0.646 1.411) 2.245 23.574 ( 1.243 -10.570 21.919) 24.367 ======================= Grid point 130 (85/131) ======================= q-point: ( 0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.587 15.020 -0.000) 15.031 1.586 ( 17.686 19.741 -0.000) 26.505 2.524 ( -10.140 19.276 -0.000) 21.780 2.544 ( -0.993 6.073 -0.000) 6.154 2.823 ( 2.521 5.960 -0.000) 6.471 3.034 ( 3.617 1.862 0.000) 4.068 3.484 ( 0.861 10.704 -0.000) 10.739 4.065 ( 1.221 11.419 -0.000) 11.484 4.501 ( -3.863 -0.828 -0.000) 3.951 4.829 ( -2.571 -2.986 0.000) 3.940 5.226 ( -0.708 9.617 -0.000) 9.643 5.235 ( 5.528 6.794 -0.000) 8.759 6.182 ( 7.443 -2.452 0.000) 7.837 6.546 ( -1.381 -21.742 0.000) 21.786 6.819 ( -3.908 -2.816 -0.000) 4.816 7.088 ( -2.089 20.119 -0.000) 20.228 8.076 ( -3.864 -2.357 -0.000) 4.527 8.123 ( 8.629 2.140 0.000) 8.890 8.868 ( -5.583 24.425 -0.000) 25.055 10.025 ( -10.351 -12.528 0.000) 16.252 10.616 ( -3.382 4.435 -0.000) 5.577 11.103 ( 0.374 -22.329 0.000) 22.333 11.138 ( 23.980 10.641 0.000) 26.235 12.161 ( -1.424 5.644 -0.000) 5.821 12.674 ( -0.854 -8.827 0.000) 8.868 12.709 ( -3.518 -5.170 0.000) 6.253 13.122 ( -6.677 -1.487 -0.000) 6.840 13.364 ( 4.650 -0.977 0.000) 4.752 20.361 ( -6.648 -8.167 0.000) 10.531 20.425 ( -1.397 4.942 -0.000) 5.136 20.940 ( 5.231 2.638 0.000) 5.859 21.378 ( 10.841 4.590 0.000) 11.773 21.697 ( -4.078 5.996 -0.000) 7.251 22.926 ( 1.163 2.202 -0.000) 2.490 22.939 ( -2.309 -2.997 0.000) 3.783 24.283 ( -4.181 -5.461 0.000) 6.878 ======================= Grid point 131 (86/131) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 3.179 9.878 -0.000) 10.377 1.934 ( -1.822 4.707 -0.000) 5.047 2.629 ( 1.442 -2.356 0.000) 2.762 2.693 ( 0.129 9.765 -0.000) 9.766 2.889 ( -3.266 -0.553 -0.000) 3.313 3.432 ( 11.940 18.220 -0.000) 21.783 3.751 ( 5.132 10.428 -0.000) 11.622 4.263 ( -0.561 3.257 -0.000) 3.305 4.427 ( -3.319 1.911 -0.000) 3.830 4.749 ( 1.605 -1.523 0.000) 2.212 5.255 ( -9.429 3.685 -0.000) 10.123 5.454 ( 4.712 0.408 0.000) 4.729 6.058 ( -5.497 -17.667 0.000) 18.503 6.242 ( 5.121 -11.572 0.000) 12.655 6.864 ( 5.424 13.394 -0.000) 14.450 7.400 ( -3.127 15.473 -0.000) 15.785 7.750 ( -11.625 -7.424 -0.000) 13.794 8.437 ( 10.283 2.019 0.000) 10.480 9.172 ( -11.896 20.139 -0.000) 23.390 9.642 ( -5.874 -7.773 0.000) 9.742 10.535 ( -13.076 4.274 -0.000) 13.757 10.727 ( 4.120 -19.205 0.000) 19.642 11.691 ( 9.808 7.754 0.000) 12.503 12.149 ( -8.001 2.670 -0.000) 8.435 12.467 ( -4.340 -9.057 0.000) 10.043 12.567 ( 11.337 -11.088 0.000) 15.858 12.924 ( -9.774 -1.010 -0.000) 9.826 13.484 ( 1.570 5.934 -0.000) 6.139 20.129 ( -1.803 -6.230 0.000) 6.486 20.504 ( 1.513 3.246 -0.000) 3.582 21.098 ( 1.849 4.763 -0.000) 5.110 21.639 ( 5.056 1.399 0.000) 5.246 21.745 ( -1.582 9.149 -0.000) 9.285 22.806 ( -3.773 -3.851 0.000) 5.392 23.003 ( 0.754 3.247 -0.000) 3.334 23.972 ( -11.627 -10.988 -0.000) 15.997 ======================= Grid point 132 (87/131) ======================= q-point: (-0.35 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 4.696 -9.342 -17.852) 20.689 1.275 ( 14.580 -6.310 -13.502) 20.849 2.100 ( 1.699 -2.069 -10.594) 10.927 2.435 ( 2.284 -4.537 7.628) 9.165 2.600 ( 11.208 -11.568 -12.639) 20.474 3.204 ( 0.414 -1.725 -4.776) 5.095 3.638 ( -6.059 4.772 -10.618) 13.123 3.889 ( 7.674 -2.202 -2.381) 8.331 4.591 ( 1.366 -1.252 7.262) 7.495 4.776 ( -4.074 1.709 1.017) 4.533 4.887 ( -2.454 2.792 0.180) 3.722 5.141 ( 5.935 -8.847 0.876) 10.689 5.955 ( 4.304 0.954 -4.265) 6.134 6.344 ( 12.299 -15.593 1.320) 19.903 6.683 ( 2.667 -3.042 1.950) 4.491 6.938 ( -7.204 7.296 6.962) 12.393 7.873 ( 1.638 1.524 4.890) 5.377 8.117 ( 7.965 -11.209 5.432) 14.784 9.048 ( -13.841 13.240 -19.182) 27.108 10.101 ( -14.625 4.774 5.473) 16.329 10.812 ( -1.720 3.481 -14.543) 15.052 10.950 ( 19.536 1.892 1.604) 19.693 11.324 ( 13.889 -25.025 13.351) 31.582 11.829 ( -4.894 7.453 -0.357) 8.923 11.971 ( -0.539 -0.916 -1.207) 1.608 12.683 ( -1.383 0.058 17.428) 17.483 13.705 ( -5.222 7.290 -7.322) 11.577 14.126 ( -12.845 10.271 -5.453) 17.327 20.396 ( -4.494 7.037 4.457) 9.465 20.723 ( 6.249 -2.977 8.619) 11.055 20.956 ( -1.289 -7.236 -22.647) 23.809 21.367 ( -1.054 4.642 -8.031) 9.336 21.556 ( 3.249 -4.044 -3.433) 6.220 22.881 ( -1.553 2.485 -1.046) 3.112 22.976 ( 1.636 -1.719 5.946) 6.402 23.464 ( 10.232 -11.256 17.194) 22.957 ======================= Grid point 134 (88/131) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 2.408 5.788 -0.000) 6.269 1.885 ( -5.328 -0.547 -0.000) 5.356 2.538 ( 1.841 -9.833 0.000) 10.004 2.672 ( -9.717 -4.225 -0.000) 10.596 2.904 ( 0.131 7.975 -0.000) 7.976 3.757 ( -10.509 6.663 -0.000) 12.444 4.090 ( 8.298 9.228 -0.000) 12.410 4.113 ( -7.620 -3.368 -0.000) 8.331 4.572 ( 13.097 1.473 0.000) 13.180 4.802 ( 5.441 -1.809 0.000) 5.734 5.206 ( -5.593 8.190 -0.000) 9.917 5.348 ( -1.472 -10.649 0.000) 10.750 5.782 ( -3.076 -2.682 -0.000) 4.081 5.962 ( -5.706 -13.723 0.000) 14.863 7.245 ( 4.726 5.731 -0.000) 7.428 7.400 ( -9.083 -6.775 -0.000) 11.332 7.574 ( -4.986 12.591 -0.000) 13.542 8.450 ( -4.580 -10.379 0.000) 11.345 9.184 ( -17.770 17.029 -0.000) 24.612 9.542 ( -0.160 0.359 -0.000) 0.393 10.351 ( -9.733 6.679 -0.000) 11.804 10.532 ( 6.329 -12.597 0.000) 14.098 11.864 ( 3.775 0.314 0.000) 3.789 12.034 ( -2.258 -1.027 -0.000) 2.481 12.226 ( -6.385 -5.539 -0.000) 8.453 12.665 ( 2.516 1.800 0.000) 3.093 12.724 ( -0.774 -6.393 0.000) 6.440 13.621 ( -2.982 8.550 -0.000) 9.055 20.052 ( 3.737 -3.678 0.000) 5.243 20.620 ( 4.995 2.230 0.000) 5.470 21.170 ( -4.249 4.949 -0.000) 6.523 21.608 ( -4.330 -1.242 -0.000) 4.505 22.041 ( 5.918 13.432 -0.000) 14.678 22.668 ( -2.737 -3.022 0.000) 4.078 23.073 ( -1.643 4.692 -0.000) 4.971 23.394 ( -17.835 -17.514 -0.000) 24.997 ======================= Grid point 135 (89/131) ======================= q-point: (-0.85 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -4.534 -1.680 -0.000) 4.836 1.825 ( 1.367 4.313 -0.000) 4.524 2.335 ( -2.255 -7.697 0.000) 8.020 2.447 ( -4.646 -0.634 -0.000) 4.689 3.024 ( -2.513 7.434 -0.000) 7.847 3.557 ( -11.961 1.966 -0.000) 12.121 3.898 ( -5.969 -3.522 -0.000) 6.931 4.251 ( -2.328 -4.197 0.000) 4.799 4.791 ( 11.048 -6.785 0.000) 12.965 4.932 ( 10.081 2.169 0.000) 10.312 5.153 ( -0.782 -7.494 0.000) 7.535 5.347 ( 2.768 7.426 -0.000) 7.925 5.519 ( -12.958 -9.626 -0.000) 16.142 5.739 ( -2.460 4.265 -0.000) 4.924 7.122 ( -7.511 -5.324 -0.000) 9.207 7.272 ( 0.109 -2.693 0.000) 2.695 7.739 ( -5.209 13.372 -0.000) 14.350 8.029 ( -9.014 -8.041 -0.000) 12.080 9.277 ( -9.050 17.215 -0.000) 19.449 9.401 ( -11.529 -1.101 -0.000) 11.581 10.390 ( 1.516 -10.577 0.000) 10.685 10.679 ( 12.535 19.063 -0.000) 22.815 11.906 ( -7.495 -7.049 -0.000) 10.289 11.963 ( 7.458 -0.614 0.000) 7.484 12.123 ( 3.807 1.251 0.000) 4.007 12.470 ( -10.363 -2.534 -0.000) 10.668 12.814 ( 4.024 0.638 0.000) 4.075 13.674 ( -6.587 6.191 -0.000) 9.040 20.119 ( 7.747 -1.404 0.000) 7.873 20.789 ( 7.295 2.385 0.000) 7.675 21.151 ( -6.979 5.540 -0.000) 8.910 21.457 ( -7.802 -1.577 -0.000) 7.959 22.487 ( -14.267 -12.339 -0.000) 18.863 22.497 ( 10.085 16.988 -0.000) 19.756 22.749 ( -5.176 -9.185 0.000) 10.543 23.118 ( -4.758 6.013 -0.000) 7.668 ======================= Grid point 139 (90/131) ======================= q-point: ( 0.15 0.85 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -2.621 -0.651 -0.000) 2.701 1.911 ( -1.911 3.340 -0.000) 3.848 2.299 ( 3.847 4.197 -0.000) 5.694 2.515 ( 7.333 2.655 0.000) 7.799 3.184 ( -1.141 14.564 -0.000) 14.608 3.338 ( -15.492 1.508 -0.000) 15.565 3.831 ( 4.422 -2.963 0.000) 5.323 3.931 ( -8.927 -9.799 0.000) 13.256 4.774 ( 12.583 -15.767 0.000) 20.172 4.928 ( -7.532 -5.020 -0.000) 9.052 5.251 ( 14.584 0.788 0.000) 14.605 5.266 ( -7.931 7.402 -0.000) 10.848 5.507 ( 4.233 0.899 0.000) 4.327 5.834 ( -2.437 8.084 -0.000) 8.444 6.915 ( -4.840 -2.456 -0.000) 5.427 7.284 ( 0.875 5.224 -0.000) 5.297 7.878 ( -2.815 8.779 -0.000) 9.219 7.963 ( 3.071 3.596 -0.000) 4.729 9.224 ( -7.040 3.729 -0.000) 7.967 9.421 ( -2.842 8.075 -0.000) 8.561 10.218 ( -5.816 0.063 -0.000) 5.816 11.220 ( 5.286 9.155 -0.000) 10.572 11.607 ( -10.519 -3.671 -0.000) 11.141 12.100 ( 4.691 -0.947 0.000) 4.785 12.242 ( 9.050 -3.892 0.000) 9.852 12.335 ( 0.946 6.248 -0.000) 6.320 12.851 ( -2.417 1.578 -0.000) 2.887 13.619 ( -6.907 2.190 -0.000) 7.246 20.283 ( 9.557 0.223 0.000) 9.559 20.946 ( 3.983 0.014 0.000) 3.983 21.163 ( -5.528 7.279 -0.000) 9.140 21.254 ( -10.296 -0.786 -0.000) 10.326 21.807 ( -12.262 -16.714 0.000) 20.729 22.744 ( 2.404 2.388 0.000) 3.389 23.085 ( 12.232 18.953 -0.000) 22.558 23.112 ( -5.282 3.912 -0.000) 6.572 ======================= Grid point 141 (91/131) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -3.015 -0.575 -0.000) 3.070 1.853 ( -9.677 3.073 -0.000) 10.154 2.569 ( 7.557 7.805 -0.000) 10.864 2.700 ( 8.603 -1.307 0.000) 8.702 3.038 ( -15.199 -0.042 -0.000) 15.199 3.281 ( -7.389 -2.432 -0.000) 7.778 3.791 ( -2.607 -3.945 0.000) 4.729 3.975 ( 9.585 17.130 -0.000) 19.629 4.651 ( -11.492 -3.440 -0.000) 11.996 4.793 ( 13.406 -9.383 0.000) 16.364 5.334 ( -6.283 6.839 -0.000) 9.287 5.496 ( 8.346 -1.263 0.000) 8.441 5.652 ( 12.456 2.365 0.000) 12.678 5.891 ( -2.698 3.433 -0.000) 4.367 6.837 ( -2.476 1.045 -0.000) 2.687 7.546 ( 5.018 14.160 -0.000) 15.023 7.979 ( -7.635 -3.867 -0.000) 8.559 7.981 ( 1.174 3.615 -0.000) 3.801 9.275 ( -1.119 8.164 -0.000) 8.240 9.548 ( 9.259 2.088 0.000) 9.492 10.250 ( -9.307 18.166 -0.000) 20.412 11.130 ( -6.617 -10.945 0.000) 12.790 11.369 ( -9.637 -0.951 -0.000) 9.684 12.186 ( -0.400 6.080 -0.000) 6.093 12.330 ( 11.837 -6.678 0.000) 13.591 12.670 ( 15.258 -1.116 0.000) 15.298 12.830 ( -8.371 13.419 -0.000) 15.816 13.496 ( -5.489 -2.486 -0.000) 6.026 20.472 ( 8.195 0.119 0.000) 8.196 20.806 ( -1.986 -17.524 0.000) 17.636 21.035 ( -11.351 0.947 -0.000) 11.391 21.137 ( -8.779 11.157 -0.000) 14.197 21.653 ( 4.535 2.840 0.000) 5.351 22.850 ( 1.524 3.557 -0.000) 3.870 23.044 ( -5.489 1.147 -0.000) 5.607 23.692 ( 13.933 14.243 -0.000) 19.925 ======================= Grid point 142 (92/131) ======================= q-point: ( 0.65 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 1.837 -2.851 0.025) 3.392 1.865 ( 0.018 1.467 -2.825) 3.183 2.301 ( -0.388 -0.335 0.624) 0.807 2.519 ( 2.597 -9.463 2.657) 10.167 3.036 ( -2.995 -4.317 1.075) 5.363 3.347 ( 0.084 -15.088 -4.257) 15.677 3.923 ( 3.154 1.058 -2.257) 4.020 4.113 ( -4.115 6.652 -6.669) 10.279 4.768 ( 6.484 7.421 -2.067) 10.069 4.971 ( -1.666 10.934 2.963) 11.450 5.167 ( -4.652 -4.334 2.041) 6.678 5.321 ( -5.846 0.020 -0.000) 5.846 5.773 ( -1.416 -2.582 -0.486) 2.985 5.813 ( 7.941 -10.253 -0.388) 12.975 6.891 ( 2.782 3.765 -3.950) 6.125 7.432 ( -14.497 -5.859 3.306) 15.982 7.624 ( 13.485 -11.105 -5.023) 18.177 8.193 ( -2.232 -15.721 1.709) 15.971 8.842 ( -2.997 -2.343 2.646) 4.634 9.472 ( 0.474 -15.331 -0.188) 15.340 10.228 ( -2.024 9.274 -3.416) 10.088 10.942 ( 8.147 7.619 8.580) 14.073 11.688 ( -2.391 -0.414 -5.984) 6.457 12.090 ( 6.905 -4.899 0.425) 8.476 12.238 ( -10.633 -0.192 4.658) 11.610 12.463 ( 4.711 -10.801 -1.231) 11.848 12.904 ( -0.783 8.392 -0.499) 8.444 13.512 ( -1.063 -4.376 -0.613) 4.545 20.396 ( 2.975 8.192 7.841) 11.723 20.671 ( -3.043 5.068 0.020) 5.912 21.057 ( -2.787 -5.338 -1.725) 6.265 21.300 ( 3.147 -8.481 -5.071) 10.370 21.995 ( -0.082 6.328 -8.137) 10.308 22.716 ( 0.632 -0.319 2.079) 2.196 23.033 ( 2.512 -4.948 -0.992) 5.637 23.145 ( -3.442 -17.509 6.777) 19.087 ======================= Grid point 144 (93/131) ======================= q-point: ( 0.65 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -1.316 0.037 0.071) 1.318 1.851 ( -1.126 0.949 5.511) 5.704 2.302 ( 2.902 -1.070 -9.250) 9.753 2.377 ( 3.339 -6.537 0.923) 7.399 2.981 ( 4.181 -2.039 -0.085) 4.652 3.187 ( 7.684 -7.627 4.729) 11.814 3.955 ( -5.284 2.250 -1.162) 5.860 4.181 ( -0.351 4.054 0.638) 4.119 4.884 ( -8.539 0.023 4.688) 9.741 4.995 ( 0.449 5.380 1.825) 5.699 5.183 ( -4.941 -1.040 -5.748) 7.650 5.364 ( 10.275 10.727 -1.581) 14.938 5.628 ( -2.388 -9.138 -3.773) 10.171 5.772 ( 4.190 -5.700 -1.555) 7.243 6.948 ( -4.107 0.943 -2.111) 4.713 7.255 ( 2.870 4.683 7.799) 9.539 7.660 ( 7.145 -16.887 -8.473) 20.200 7.911 ( 9.221 -3.549 2.367) 10.160 8.842 ( 2.328 0.451 5.156) 5.675 9.273 ( 10.218 -12.189 -0.034) 15.905 10.383 ( -10.128 13.108 2.318) 16.726 11.064 ( -3.683 -5.306 -4.118) 7.660 11.661 ( 4.673 3.238 2.784) 6.331 11.971 ( -4.222 -3.525 0.932) 5.578 12.239 ( 7.156 1.280 1.792) 7.487 12.398 ( 1.944 -6.624 -4.063) 8.010 12.997 ( -5.674 5.893 -4.159) 9.177 13.457 ( 5.467 -4.724 3.888) 8.205 20.475 ( -6.869 4.919 -5.839) 10.270 20.853 ( -2.323 0.819 3.406) 4.203 20.890 ( 6.778 -0.652 7.058) 9.807 21.196 ( 3.367 -6.154 -3.575) 7.873 22.086 ( -7.088 7.062 6.386) 11.870 22.719 ( -1.568 1.013 -1.996) 2.733 22.871 ( 6.540 -7.720 -1.050) 10.172 23.036 ( 10.741 -8.812 -4.228) 14.522 ======================= Grid point 145 (94/131) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -8.013 -2.398 -0.000) 8.364 1.693 ( -17.791 9.477 -0.000) 20.158 2.701 ( -6.469 -0.707 -0.000) 6.508 2.783 ( 4.856 -4.778 0.000) 6.812 2.850 ( -4.130 4.533 -0.000) 6.132 3.086 ( -4.786 -2.938 -0.000) 5.616 3.646 ( -6.768 -0.368 -0.000) 6.778 4.335 ( -18.345 6.422 -0.000) 19.436 4.469 ( 8.454 1.116 0.000) 8.527 4.827 ( 4.352 -4.990 0.000) 6.621 5.283 ( -5.232 2.068 -0.000) 5.626 5.443 ( -6.069 -3.519 -0.000) 7.015 5.987 ( 5.552 3.461 0.000) 6.542 6.080 ( 20.736 4.651 0.000) 21.251 6.814 ( -1.502 0.577 -0.000) 1.609 7.561 ( -19.044 -6.540 -0.000) 20.135 7.898 ( -1.719 15.428 -0.000) 15.524 8.076 ( 7.089 -2.636 0.000) 7.563 9.327 ( -11.949 2.807 -0.000) 12.274 9.842 ( 15.543 -0.571 0.000) 15.554 10.503 ( -7.657 22.424 -0.000) 23.695 10.849 ( 7.249 -9.809 0.000) 12.197 11.155 ( -11.320 0.406 -0.000) 11.327 12.246 ( -4.440 3.653 -0.000) 5.750 12.484 ( 14.201 -4.010 0.000) 14.756 12.695 ( 5.254 -6.095 0.000) 8.047 13.149 ( 1.866 14.283 -0.000) 14.404 13.303 ( -4.004 -7.055 0.000) 8.112 20.463 ( 1.948 -14.081 0.000) 14.216 20.540 ( -0.004 -2.807 0.000) 2.807 20.906 ( -6.280 5.069 -0.000) 8.071 21.243 ( -5.386 12.245 -0.000) 13.377 21.778 ( 0.570 1.639 -0.000) 1.735 22.921 ( -0.646 2.513 -0.000) 2.595 22.965 ( -1.136 -1.997 0.000) 2.297 24.130 ( 10.010 5.285 0.000) 11.319 ======================= Grid point 153 (95/131) ======================= q-point: (-0.58 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 1.521 -1.333 -0.518) 2.088 1.951 ( -0.818 -3.142 1.379) 3.528 2.264 ( -2.454 -5.214 -8.695) 10.431 2.750 ( 1.958 -7.770 2.254) 8.324 3.059 ( -0.906 6.379 -2.641) 6.963 3.765 ( 3.853 2.608 1.392) 4.856 4.028 ( 6.277 -2.513 2.284) 7.136 4.120 ( -5.769 -2.974 0.856) 6.547 4.322 ( 6.236 -3.994 -6.805) 10.058 4.694 ( -0.121 -3.660 5.499) 6.607 5.123 ( 1.270 -11.782 -6.386) 13.461 5.359 ( -4.729 -7.006 1.873) 8.658 5.951 ( 4.456 7.571 5.701) 10.473 6.062 ( -3.227 9.573 4.631) 11.113 6.926 ( -0.179 -4.437 -8.630) 9.706 7.501 ( 1.887 -15.141 1.838) 15.369 8.023 ( 1.273 9.241 1.324) 9.422 8.401 ( 3.180 -0.925 9.084) 9.669 9.087 ( -0.550 -6.761 -13.877) 15.446 9.593 ( 5.384 -1.993 8.687) 10.413 10.807 ( -7.590 10.394 -8.343) 15.338 10.990 ( -4.473 12.490 -2.092) 13.431 11.489 ( -5.296 -13.441 -1.420) 14.516 12.108 ( -4.197 -12.085 3.234) 13.195 12.187 ( 9.250 4.148 7.003) 12.321 12.307 ( 1.512 -2.731 2.130) 3.779 13.315 ( -10.984 6.562 0.146) 12.795 13.624 ( 10.914 10.032 -4.336) 15.445 20.142 ( -8.664 3.744 -4.350) 10.392 20.502 ( 2.516 -2.541 3.882) 5.278 21.220 ( 2.709 4.740 -6.934) 8.825 21.595 ( 2.359 -1.243 1.125) 2.894 21.916 ( 6.444 0.218 2.689) 6.986 22.910 ( -8.230 1.033 0.732) 8.327 23.033 ( 5.753 1.242 -1.483) 6.069 23.620 ( -3.669 -12.928 4.026) 14.029 ======================= Grid point 156 (96/131) ======================= q-point: (-0.58 -0.18 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 4.634 -3.506 -5.939) 8.309 1.821 ( -1.836 -6.491 -2.614) 7.234 2.147 ( -0.011 -3.610 -2.055) 4.154 2.583 ( -2.346 -7.691 1.084) 8.114 3.120 ( 0.916 -0.141 3.958) 4.065 3.721 ( -5.724 -4.193 -15.116) 16.698 3.852 ( 0.891 -13.642 -0.759) 13.692 4.085 ( 7.768 -2.257 -5.794) 9.950 4.457 ( 0.945 1.480 0.110) 1.759 4.669 ( 2.451 -2.330 6.443) 7.276 4.988 ( 0.715 -5.645 0.913) 5.763 5.225 ( 6.036 -2.591 2.559) 7.050 6.067 ( -10.487 3.874 2.319) 11.418 6.174 ( -3.253 10.937 7.165) 13.474 6.787 ( 3.355 -6.199 -8.750) 11.236 7.221 ( 2.502 -17.019 3.290) 17.514 8.084 ( -5.664 -6.460 -2.329) 8.902 8.274 ( -2.772 -3.995 9.615) 10.774 9.070 ( 3.020 1.863 -15.317) 15.722 9.763 ( 0.801 5.171 10.855) 12.050 10.762 ( -8.594 8.117 -9.245) 15.008 11.012 ( -8.410 8.614 -1.529) 12.135 11.385 ( 7.816 -0.102 -2.987) 8.368 11.820 ( 2.250 -11.858 6.335) 13.631 12.168 ( -3.070 -5.607 0.454) 6.409 12.450 ( 5.363 -2.177 9.573) 11.186 13.293 ( -10.823 13.997 -1.986) 17.804 13.924 ( 0.237 7.765 -4.102) 8.786 20.090 ( -4.307 4.171 1.526) 6.187 20.570 ( 6.910 0.122 4.169) 8.071 21.353 ( 1.090 4.605 -8.232) 9.495 21.558 ( -2.770 -1.927 -3.040) 4.542 22.004 ( 6.438 -5.250 -12.673) 15.153 22.782 ( -7.061 2.084 1.044) 7.435 23.044 ( -4.870 -8.997 3.680) 10.872 23.344 ( 1.625 -2.228 13.729) 14.003 ======================= Grid point 157 (97/131) ======================= q-point: (-0.58 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 1.178 -5.921 -6.144) 8.614 1.772 ( 7.610 -2.087 -3.696) 8.713 2.145 ( 3.153 0.721 -0.787) 3.329 2.410 ( -0.437 -4.967 3.424) 6.049 3.190 ( 7.240 2.388 -4.965) 9.098 3.484 ( -0.667 -12.488 -6.650) 14.164 3.717 ( -0.702 1.749 -6.817) 7.073 4.232 ( 8.104 -1.301 -3.134) 8.785 4.434 ( -2.765 -0.556 6.603) 7.180 4.599 ( -0.947 -5.846 4.344) 7.345 4.903 ( 0.224 -5.085 -1.155) 5.220 5.344 ( 6.822 -2.871 3.360) 8.128 5.869 ( -9.316 3.690 4.449) 10.963 6.336 ( -5.616 12.827 4.242) 14.631 6.843 ( 5.618 -3.063 -3.834) 7.460 6.994 ( 7.483 -11.436 -2.774) 13.945 7.842 ( 1.932 -3.906 3.109) 5.354 8.210 ( -0.966 -0.379 6.154) 6.241 9.129 ( -2.851 1.416 -15.535) 15.858 9.656 ( -9.409 0.292 6.903) 11.673 10.873 ( -9.951 12.025 -11.271) 19.252 11.277 ( 15.598 10.175 -0.342) 18.627 11.523 ( 1.981 -0.243 0.881) 2.182 11.738 ( 10.690 -8.289 5.795) 14.717 11.980 ( -4.626 -3.513 0.555) 5.835 12.373 ( -1.950 -5.883 10.396) 12.103 13.406 ( -10.118 16.797 -3.599) 19.936 13.919 ( -8.787 1.081 -2.601) 9.228 20.143 ( 0.982 4.473 3.827) 5.968 20.743 ( 7.243 0.026 4.081) 8.313 21.379 ( -9.619 -4.216 -13.803) 17.344 21.433 ( -1.816 4.375 -3.004) 5.609 21.899 ( 0.838 -11.031 -12.093) 16.390 22.732 ( -0.940 5.023 2.557) 5.714 22.895 ( 4.334 -0.930 10.469) 11.369 23.410 ( 2.006 -0.188 7.736) 7.994 ======================= Grid point 160 (98/131) ======================= q-point: (-0.58 -0.18 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 3.751 -2.361 -4.745) 6.493 1.886 ( 5.869 -1.142 0.198) 5.982 2.220 ( 3.313 -1.327 -5.555) 6.603 2.487 ( 9.552 3.594 6.215) 11.949 3.250 ( -3.696 -7.183 -5.983) 10.052 3.547 ( 14.520 9.165 -7.646) 18.796 3.792 ( 2.012 3.070 -5.504) 6.616 4.262 ( -10.664 6.432 6.857) 14.217 4.300 ( 0.032 -10.721 2.574) 11.026 4.547 ( 9.459 -1.414 5.825) 11.198 4.921 ( 6.035 0.682 -8.490) 10.438 5.349 ( 6.456 -8.024 4.630) 11.292 5.914 ( -4.958 11.212 8.647) 15.002 6.322 ( -12.344 2.525 3.745) 13.144 6.828 ( 7.781 -4.561 -3.839) 9.802 7.166 ( 14.374 0.494 -4.285) 15.008 7.996 ( 3.676 5.896 2.533) 7.395 8.260 ( 4.052 3.699 6.942) 8.848 9.053 ( -1.773 -1.361 -14.728) 14.897 9.549 ( -5.718 3.456 8.211) 10.586 10.907 ( -7.382 9.308 -10.460) 15.829 11.333 ( -10.892 -3.143 -3.777) 11.949 11.524 ( 9.440 -16.405 -0.998) 18.953 11.910 ( 14.678 -3.347 4.690) 15.769 12.044 ( 2.720 10.292 5.289) 11.887 12.250 ( -1.228 -1.330 8.978) 9.159 13.518 ( -10.313 13.478 -5.144) 17.733 13.686 ( -10.722 -2.665 -1.113) 11.104 20.276 ( 2.438 3.473 1.477) 4.493 20.599 ( -5.465 -13.856 -1.540) 14.975 21.231 ( -2.872 3.346 -11.837) 12.631 21.501 ( 0.430 4.624 1.437) 4.861 21.805 ( 0.834 1.067 1.742) 2.207 22.899 ( 0.917 7.951 -1.037) 8.071 23.020 ( 5.447 -2.673 1.537) 6.259 23.429 ( 6.243 -1.423 7.708) 10.020 ======================= Grid point 173 (99/131) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.179 10.162 -0.000) 10.164 1.881 ( 7.403 9.630 -0.000) 12.147 2.670 ( -5.211 -1.705 -0.000) 5.482 2.692 ( -0.139 8.107 -0.000) 8.108 2.909 ( 1.169 2.746 -0.000) 2.985 3.166 ( 10.975 11.548 -0.000) 15.931 3.673 ( 2.820 8.410 -0.000) 8.870 4.313 ( -3.823 8.411 -0.000) 9.239 4.503 ( -1.603 3.411 -0.000) 3.769 4.754 ( -2.130 -4.671 0.000) 5.133 5.353 ( 4.842 5.040 -0.000) 6.989 5.391 ( -3.777 6.239 -0.000) 7.293 6.081 ( 7.686 -7.581 0.000) 10.795 6.123 ( -0.598 -20.154 0.000) 20.163 6.824 ( 0.356 4.907 -0.000) 4.920 7.463 ( -3.654 17.017 -0.000) 17.405 7.957 ( -8.805 -8.876 0.000) 12.502 8.195 ( 14.080 4.116 0.000) 14.669 9.322 ( -3.634 19.093 -0.000) 19.436 9.767 ( -6.022 -13.399 0.000) 14.690 10.715 ( -3.271 -14.597 0.000) 14.959 10.719 ( -2.851 5.912 -0.000) 6.564 11.368 ( 19.891 12.309 0.000) 23.391 12.261 ( -2.511 4.213 -0.000) 4.905 12.441 ( 1.064 -14.202 0.000) 14.242 12.568 ( -6.106 -9.279 0.000) 11.108 13.128 ( -10.254 1.858 -0.000) 10.421 13.384 ( 8.758 3.175 0.000) 9.316 20.234 ( -8.792 -4.597 -0.000) 9.921 20.501 ( -1.059 2.160 -0.000) 2.406 21.018 ( 5.645 5.513 0.000) 7.890 21.472 ( 10.598 4.701 0.000) 11.594 21.784 ( -1.111 2.994 -0.000) 3.193 22.893 ( -4.683 -1.535 -0.000) 4.928 22.970 ( 2.312 2.262 0.000) 3.234 24.137 ( -4.479 -9.556 0.000) 10.553 ======================= Grid point 174 (100/131) ======================= q-point: (-0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 1.648 -6.037 -18.886) 19.896 1.182 ( -2.833 -15.857 -15.469) 22.333 2.075 ( 0.166 -2.185 -20.561) 20.678 2.397 ( 1.123 -4.831 7.374) 8.887 2.492 ( -0.285 -14.516 -7.152) 16.184 3.195 ( 0.310 -0.271 -4.467) 4.486 3.708 ( 1.616 6.381 -7.642) 10.086 3.841 ( -2.948 -5.222 -1.170) 6.109 4.576 ( 0.121 6.060 4.292) 7.427 4.782 ( 1.192 5.678 0.080) 5.802 4.959 ( -4.550 -0.770 -1.570) 4.874 5.027 ( 4.974 -4.630 0.780) 6.840 6.009 ( -5.196 -8.983 -5.055) 11.543 6.126 ( 4.519 -17.033 1.267) 17.668 6.652 ( 0.024 -3.431 1.131) 3.613 7.015 ( 0.001 7.511 8.084) 11.034 7.924 ( -5.376 -4.975 4.840) 8.780 7.970 ( 5.347 -9.415 6.234) 12.494 9.212 ( 0.110 22.561 -17.282) 28.420 10.271 ( 7.889 8.232 7.334) 13.557 10.749 ( -14.448 -5.551 0.514) 15.486 10.845 ( -0.054 1.446 -14.436) 14.509 11.128 ( 6.019 -29.381 9.380) 31.424 11.869 ( -0.429 9.474 -1.102) 9.547 11.994 ( 0.153 -2.821 -0.812) 2.939 12.690 ( 0.365 0.095 18.446) 18.450 13.765 ( -0.547 4.909 -7.663) 9.117 14.261 ( 0.704 16.609 -1.967) 16.740 20.531 ( -1.800 5.787 6.034) 8.552 20.570 ( -0.005 1.528 2.984) 3.353 20.935 ( 2.507 -7.804 -18.574) 20.302 21.442 ( -1.455 0.827 -7.394) 7.581 21.494 ( 0.724 -1.082 -4.931) 5.100 22.918 ( -0.197 -0.791 -2.515) 2.643 22.953 ( -0.188 -4.635 8.334) 9.538 23.324 ( 0.441 -12.535 13.754) 18.614 ======================= Grid point 176 (101/131) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 2.382 6.304 -0.000) 6.739 1.964 ( -2.248 -1.109 -0.000) 2.507 2.515 ( -0.414 -7.979 0.000) 7.990 2.843 ( -6.592 -3.575 -0.000) 7.499 2.873 ( 1.986 7.548 -0.000) 7.805 3.754 ( 11.647 13.587 -0.000) 17.896 3.935 ( 7.126 8.341 -0.000) 10.971 4.199 ( -3.280 -6.885 0.000) 7.626 4.521 ( -6.428 3.916 -0.000) 7.527 4.702 ( 4.504 -3.429 0.000) 5.661 5.339 ( -7.211 3.648 -0.000) 8.081 5.368 ( -0.853 -9.696 0.000) 9.733 5.841 ( -2.074 -2.899 0.000) 3.565 5.997 ( 1.767 -10.936 0.000) 11.078 7.123 ( 7.015 9.491 -0.000) 11.802 7.576 ( -8.788 -10.133 0.000) 13.412 7.670 ( -4.396 13.758 -0.000) 14.444 8.442 ( 4.959 -1.755 0.000) 5.260 9.453 ( -7.896 5.218 -0.000) 9.464 9.513 ( 1.040 -4.787 0.000) 4.898 10.495 ( -3.287 -0.990 -0.000) 3.433 10.635 ( -15.612 5.630 -0.000) 16.596 11.754 ( 7.253 -2.993 0.000) 7.846 12.135 ( -7.691 -5.569 -0.000) 9.496 12.320 ( -3.140 -4.523 0.000) 5.506 12.402 ( 15.369 -4.222 0.000) 15.939 12.942 ( -12.919 3.158 -0.000) 13.299 13.627 ( 2.895 8.432 -0.000) 8.915 20.044 ( -3.197 -2.431 -0.000) 4.016 20.543 ( 2.923 0.677 0.000) 3.000 21.206 ( 0.633 6.168 -0.000) 6.200 21.644 ( 1.167 -0.667 0.000) 1.344 21.922 ( 5.786 8.620 -0.000) 10.382 22.748 ( -5.633 -1.841 -0.000) 5.927 23.072 ( 1.711 3.767 -0.000) 4.137 23.715 ( -13.844 -15.210 0.000) 20.567 ======================= Grid point 177 (102/131) ======================= q-point: (-0.80 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 2.505 3.196 -0.000) 4.061 1.848 ( -4.439 -2.755 -0.000) 5.224 2.350 ( 0.509 -8.675 0.000) 8.689 2.587 ( -8.749 -4.320 -0.000) 9.757 3.033 ( 1.633 5.178 -0.000) 5.430 3.756 ( -9.355 -3.433 -0.000) 9.965 4.061 ( -6.840 -4.505 -0.000) 8.190 4.221 ( 5.205 3.862 0.000) 6.481 4.594 ( 7.866 -0.711 0.000) 7.898 4.749 ( 7.742 -3.442 0.000) 8.473 5.145 ( 1.273 -9.086 0.000) 9.175 5.310 ( 0.658 1.444 -0.000) 1.587 5.763 ( -10.696 -4.405 -0.000) 11.567 5.820 ( -5.208 6.318 -0.000) 8.188 7.229 ( 3.509 -5.025 0.000) 6.129 7.258 ( -5.925 -7.685 0.000) 9.704 7.860 ( -6.327 14.148 -0.000) 15.499 8.223 ( -9.607 -12.407 0.000) 15.692 9.400 ( -2.355 3.336 -0.000) 4.084 9.545 ( -1.549 -0.237 -0.000) 1.567 10.452 ( -8.512 6.024 -0.000) 10.428 10.558 ( -2.240 14.456 -0.000) 14.629 11.786 ( 9.938 -6.965 0.000) 12.136 11.949 ( 1.010 -6.087 0.000) 6.170 12.160 ( -5.640 -2.860 -0.000) 6.324 12.565 ( 4.263 -7.784 0.000) 8.875 12.833 ( -8.719 12.093 -0.000) 14.908 13.782 ( -3.857 7.405 -0.000) 8.349 20.013 ( 2.656 -0.400 0.000) 2.686 20.653 ( 6.469 1.273 0.000) 6.593 21.271 ( -4.945 5.231 -0.000) 7.198 21.576 ( -4.193 -1.784 -0.000) 4.557 22.292 ( 10.667 11.816 -0.000) 15.919 22.634 ( -3.898 -0.588 -0.000) 3.942 23.022 ( -18.920 -20.117 0.000) 27.616 23.176 ( -0.865 5.692 -0.000) 5.757 ======================= Grid point 181 (103/131) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -3.357 -1.533 -0.000) 3.691 1.891 ( 3.049 2.191 0.000) 3.754 2.250 ( 1.688 -1.127 0.000) 2.029 2.439 ( 0.194 -0.691 0.000) 0.718 3.189 ( 1.279 9.737 -0.000) 9.821 3.571 ( -7.555 -0.284 -0.000) 7.560 3.821 ( -3.990 -4.066 0.000) 5.697 4.130 ( -9.807 -6.240 -0.000) 11.624 4.570 ( 7.111 -14.044 0.000) 15.742 4.937 ( 14.415 -5.352 0.000) 15.376 5.027 ( 0.036 -2.352 0.000) 2.352 5.412 ( 2.935 1.455 0.000) 3.276 5.488 ( -11.289 3.298 -0.000) 11.761 5.905 ( -5.006 11.706 -0.000) 12.731 7.020 ( -5.268 -5.000 -0.000) 7.263 7.238 ( 4.363 -0.336 0.000) 4.376 7.917 ( 0.362 -3.538 0.000) 3.556 7.962 ( -5.421 8.743 -0.000) 10.287 9.376 ( -8.333 -1.187 -0.000) 8.417 9.437 ( 1.489 -1.241 0.000) 1.939 10.404 ( -13.077 12.384 -0.000) 18.011 11.076 ( 8.866 19.852 -0.000) 21.742 11.804 ( -8.110 -3.026 -0.000) 8.656 11.899 ( 13.483 -4.405 0.000) 14.184 12.079 ( 6.498 -6.129 0.000) 8.932 12.375 ( -3.228 -6.551 0.000) 7.303 12.951 ( -6.967 11.898 -0.000) 13.788 13.761 ( -7.480 2.455 -0.000) 7.872 20.119 ( 6.774 1.338 0.000) 6.905 20.832 ( 7.221 1.664 0.000) 7.411 21.264 ( -5.318 5.952 -0.000) 7.982 21.431 ( -7.551 -0.961 -0.000) 7.612 22.136 ( -19.860 -20.019 0.000) 28.199 22.706 ( 1.209 2.080 -0.000) 2.406 22.793 ( 15.190 12.536 0.000) 19.695 23.239 ( -4.925 6.095 -0.000) 7.836 ======================= Grid point 183 (104/131) ======================= q-point: ( 0.20 0.80 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -2.380 0.097 -0.000) 2.382 1.947 ( -0.483 0.434 -0.000) 0.650 2.417 ( 7.600 7.187 0.000) 10.460 2.529 ( 8.109 -1.008 0.000) 8.172 3.321 ( -12.648 -3.269 -0.000) 13.064 3.449 ( -5.362 9.752 -0.000) 11.129 3.808 ( 0.392 0.713 -0.000) 0.814 3.857 ( -1.691 4.544 -0.000) 4.849 4.507 ( 13.540 -9.872 0.000) 16.756 4.807 ( -2.652 -7.251 0.000) 7.721 5.273 ( 13.013 1.525 0.000) 13.102 5.452 ( -3.354 4.219 -0.000) 5.390 5.488 ( 2.479 3.720 -0.000) 4.470 5.980 ( -6.594 5.825 -0.000) 8.798 6.896 ( -2.932 0.809 -0.000) 3.042 7.419 ( 7.641 7.259 0.000) 10.539 8.010 ( 3.671 0.909 0.000) 3.782 8.011 ( -3.462 5.354 -0.000) 6.375 9.294 ( -1.461 3.231 -0.000) 3.546 9.407 ( 4.634 -4.659 0.000) 6.571 10.472 ( -12.728 20.364 -0.000) 24.015 11.274 ( -6.954 -3.306 -0.000) 7.700 11.585 ( -11.728 1.621 -0.000) 11.840 12.096 ( 11.802 -10.438 0.000) 15.756 12.147 ( 5.838 5.223 0.000) 7.833 12.360 ( 14.166 -3.689 0.000) 14.638 13.024 ( -10.837 15.232 -0.000) 18.694 13.614 ( -6.735 -2.742 -0.000) 7.272 20.308 ( 8.100 2.238 0.000) 8.403 20.839 ( -1.092 -12.138 0.000) 12.187 21.251 ( -10.149 0.574 -0.000) 10.165 21.309 ( -6.583 7.623 -0.000) 10.072 21.608 ( -2.475 -2.200 -0.000) 3.312 22.818 ( 1.759 4.849 -0.000) 5.158 23.139 ( -1.813 -1.117 -0.000) 2.129 23.415 ( 12.284 13.602 -0.000) 18.328 ======================= Grid point 186 (105/131) ======================= q-point: ( 0.70 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.301 1.092 1.092) 1.573 1.867 ( 0.185 -1.302 -2.594) 2.908 2.263 ( -0.679 -2.933 -0.003) 3.010 2.334 ( 1.041 -8.348 2.031) 8.654 2.954 ( -0.716 -2.490 0.972) 2.767 3.100 ( 0.033 -9.695 -2.427) 9.994 4.004 ( 1.317 6.601 0.714) 6.769 4.200 ( -1.519 1.037 -3.677) 4.111 4.900 ( 1.827 5.608 -1.731) 6.147 5.055 ( -2.162 -4.491 1.440) 5.188 5.180 ( 5.416 8.382 0.857) 10.016 5.376 ( -11.271 3.894 0.263) 11.927 5.616 ( 7.591 -8.329 0.523) 11.282 5.703 ( -1.181 -4.788 -0.664) 4.976 6.975 ( 1.134 5.152 -2.797) 5.971 7.312 ( -5.619 -9.011 5.412) 11.919 7.471 ( 5.825 -0.664 -6.944) 9.088 7.863 ( -1.413 -16.473 3.232) 16.847 8.831 ( -1.087 1.701 1.471) 2.498 9.154 ( 0.911 -14.883 -0.632) 14.924 10.531 ( -1.557 18.476 -2.837) 18.757 11.027 ( 3.516 -0.842 5.406) 6.503 11.668 ( -3.318 0.268 -3.970) 5.181 11.958 ( 3.446 -9.849 2.323) 10.690 12.218 ( -3.448 1.408 -0.402) 3.746 12.354 ( 1.862 -2.852 0.234) 3.414 13.066 ( 0.013 8.289 -0.330) 8.295 13.393 ( -0.255 -7.399 0.027) 7.404 20.553 ( 0.877 7.912 3.690) 8.774 20.777 ( -0.593 3.829 0.067) 3.875 20.936 ( -1.421 -4.928 -0.930) 5.212 21.137 ( 1.160 -8.095 -2.368) 8.514 22.175 ( 0.007 11.758 -4.680) 12.655 22.736 ( 0.270 1.184 2.914) 3.157 22.784 ( 0.447 -16.360 0.887) 16.390 22.931 ( -0.762 -6.286 0.660) 6.366 ======================= Grid point 188 (106/131) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -4.658 -0.032 -0.000) 4.659 1.919 ( -5.218 3.282 -0.000) 6.164 2.650 ( 8.118 -3.749 0.000) 8.942 2.701 ( 4.735 5.556 -0.000) 7.300 3.023 ( -11.079 -1.652 -0.000) 11.201 3.267 ( -14.402 3.905 -0.000) 14.922 3.763 ( -5.206 0.950 -0.000) 5.292 4.260 ( 12.162 7.589 0.000) 14.335 4.626 ( -9.191 1.358 -0.000) 9.290 4.660 ( 11.749 -3.875 0.000) 12.372 5.403 ( -4.325 0.437 -0.000) 4.347 5.481 ( 3.925 -0.212 0.000) 3.930 5.740 ( 11.464 5.978 0.000) 12.929 5.914 ( -0.736 -0.250 -0.000) 0.777 6.886 ( -4.917 3.907 -0.000) 6.281 7.783 ( 12.650 5.671 0.000) 13.863 7.865 ( -11.604 -6.475 -0.000) 13.289 8.050 ( -3.883 6.903 -0.000) 7.920 9.416 ( 1.678 6.026 -0.000) 6.256 9.547 ( 13.594 -1.011 0.000) 13.632 10.668 ( -8.926 19.285 -0.000) 21.251 10.887 ( -9.776 -12.962 0.000) 16.235 11.404 ( -13.261 4.979 -0.000) 14.164 12.187 ( 15.515 -6.364 0.000) 16.769 12.289 ( 0.183 3.920 -0.000) 3.925 12.524 ( 12.033 -9.349 0.000) 15.238 13.195 ( -6.359 18.279 -0.000) 19.354 13.391 ( -5.065 -8.053 0.000) 9.514 20.459 ( -1.591 -16.646 0.000) 16.722 20.481 ( 5.122 0.719 0.000) 5.173 21.079 ( -10.240 3.414 -0.000) 10.794 21.358 ( -6.042 10.996 -0.000) 12.546 21.736 ( 3.357 4.715 -0.000) 5.788 22.930 ( -0.198 4.358 -0.000) 4.362 23.007 ( -2.985 -4.660 0.000) 5.534 23.894 ( 13.883 5.765 0.000) 15.033 ======================= Grid point 199 (107/131) ======================= q-point: (-0.53 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 1.624 -4.734 -6.828) 8.466 1.858 ( -1.679 -6.558 -0.807) 6.818 2.174 ( -2.513 -3.555 -3.908) 5.850 2.568 ( 3.444 -10.233 4.502) 11.698 3.144 ( -3.359 1.648 -1.424) 4.004 3.707 ( 6.044 -13.117 -9.882) 17.499 3.852 ( 2.473 -3.977 -6.619) 8.108 4.072 ( -8.858 -3.230 -3.247) 9.972 4.394 ( 5.633 6.030 2.984) 8.775 4.598 ( 4.245 -4.692 9.476) 11.394 4.962 ( 2.918 -3.578 -5.052) 6.844 5.201 ( -4.963 -7.795 3.613) 9.922 6.099 ( 6.317 6.069 7.329) 11.422 6.280 ( -6.111 10.890 4.240) 13.188 6.764 ( -1.263 -10.737 -7.113) 12.941 7.182 ( 1.251 -16.525 0.515) 16.581 8.110 ( 3.625 -1.173 0.789) 3.891 8.299 ( 0.102 -9.415 7.067) 11.772 9.038 ( 0.147 2.896 -15.173) 15.448 9.662 ( 7.274 8.770 10.997) 15.835 10.969 ( -6.325 6.641 -12.117) 15.196 11.185 ( -11.386 -12.462 -1.353) 16.934 11.302 ( -0.538 14.405 -1.844) 14.532 11.832 ( -3.280 -15.640 5.563) 16.921 12.186 ( 2.070 -5.149 0.400) 5.564 12.310 ( 7.452 2.741 11.935) 14.335 13.493 ( -8.907 11.299 -2.323) 14.574 13.829 ( 9.391 10.506 -3.874) 14.614 20.237 ( -9.040 5.576 -2.532) 10.919 20.459 ( 2.772 -1.496 5.203) 6.082 21.304 ( 3.548 3.779 -11.327) 12.457 21.566 ( 1.720 -1.170 0.408) 2.120 21.879 ( 5.731 -4.191 -4.156) 8.227 22.924 ( -6.673 -0.236 1.337) 6.809 23.042 ( 5.331 -0.830 -1.974) 5.745 23.365 ( -3.864 -12.072 12.799) 18.013 ======================= Grid point 200 (108/131) ======================= q-point: (-0.53 -0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 6.666 -4.213 -9.625) 12.443 1.664 ( -0.009 -9.187 -6.628) 11.329 2.105 ( 0.457 -0.450 1.071) 1.248 2.425 ( 0.434 -8.133 4.107) 9.121 3.085 ( 2.343 -3.465 -3.695) 5.581 3.469 ( 2.274 -15.033 -8.140) 17.246 3.787 ( -6.235 2.422 -9.121) 11.310 4.020 ( 9.907 -4.082 -4.241) 11.524 4.474 ( -0.216 -0.799 4.044) 4.127 4.646 ( -0.938 1.988 4.844) 5.320 4.909 ( -1.854 -2.520 -0.206) 3.135 5.194 ( 8.322 -1.933 2.949) 9.038 6.078 ( -11.814 -2.453 -1.249) 12.131 6.348 ( 4.488 5.048 7.064) 9.774 6.722 ( 5.996 0.487 -2.211) 6.409 6.901 ( 1.610 -14.237 -0.229) 14.330 7.883 ( -5.584 -10.289 1.924) 11.864 8.177 ( 4.386 -7.052 6.054) 10.278 9.184 ( -2.266 9.505 -14.920) 17.835 9.871 ( -9.697 4.774 8.695) 13.872 10.883 ( 11.244 3.133 -3.659) 12.232 11.081 ( -3.484 3.121 -12.122) 12.993 11.537 ( 2.588 -12.460 6.613) 14.341 11.573 ( 1.571 9.366 1.995) 9.705 12.057 ( -2.691 -4.891 -0.315) 5.591 12.385 ( 1.159 -4.048 12.411) 13.106 13.591 ( -8.650 15.543 -3.634) 18.155 14.052 ( -3.621 5.257 -2.196) 6.751 20.187 ( -5.859 5.520 2.644) 8.472 20.579 ( 8.701 0.704 4.943) 10.032 21.439 ( 1.364 4.116 -8.335) 9.396 21.530 ( -4.699 -1.078 -6.350) 7.973 21.834 ( 4.903 -11.297 -18.171) 21.951 22.832 ( -9.151 -1.426 4.418) 10.261 22.849 ( 0.740 -4.670 11.392) 12.334 23.314 ( 7.323 -2.375 8.687) 11.607 ======================= Grid point 203 (109/131) ======================= q-point: (-0.53 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 4.201 -4.675 -9.889) 11.717 1.732 ( 9.548 -2.148 -4.123) 10.619 2.173 ( 2.147 0.468 -1.363) 2.586 2.329 ( 5.549 -1.751 7.093) 9.174 3.201 ( 11.699 -4.636 -10.903) 16.651 3.322 ( 3.341 0.782 -5.225) 6.251 3.783 ( -0.640 3.092 -8.537) 9.103 4.182 ( 12.157 -5.392 -3.460) 13.741 4.383 ( -3.971 -2.428 7.237) 8.604 4.570 ( -9.167 2.149 6.458) 11.417 4.864 ( -0.041 2.173 -3.034) 3.732 5.229 ( 5.828 -8.319 2.778) 10.530 5.983 ( -2.365 7.948 5.199) 9.787 6.525 ( -2.419 6.249 4.014) 7.811 6.646 ( 5.017 -14.141 -2.172) 15.162 6.910 ( 10.990 -0.153 -3.452) 11.520 7.866 ( 7.781 6.087 4.804) 10.985 8.160 ( 6.488 -4.546 3.896) 8.828 9.178 ( -10.546 2.751 -16.139) 19.474 9.712 ( -10.356 6.029 8.728) 14.825 11.047 ( -6.485 5.591 -12.823) 15.419 11.267 ( 11.327 -13.063 -2.510) 17.472 11.433 ( 15.860 -4.279 4.132) 16.939 11.675 ( -3.578 0.163 4.041) 5.400 12.015 ( 1.394 5.258 -0.619) 5.475 12.294 ( -2.026 -1.370 13.932) 14.145 13.708 ( -8.794 11.274 -5.761) 15.415 13.922 ( -12.658 0.982 -0.164) 12.697 20.248 ( -0.215 6.163 3.535) 7.108 20.655 ( 0.901 -9.875 3.253) 10.436 21.321 ( -7.149 -0.052 -17.183) 18.611 21.510 ( -1.003 3.446 -1.795) 4.013 21.752 ( 4.530 -3.249 -6.983) 8.935 22.841 ( 7.572 3.432 8.940) 12.208 22.906 ( 1.758 4.045 1.776) 4.754 23.336 ( 4.518 -7.263 7.414) 11.319 ======================= Grid point 218 (110/131) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.000 0.000 -20.103) 20.103 0.998 ( -0.000 0.000 -20.103) 20.103 2.047 ( -0.000 0.000 -40.638) 40.638 2.347 ( 0.000 -0.000 7.475) 7.475 2.347 ( 0.000 -0.000 7.475) 7.475 3.194 ( -0.000 0.000 -4.000) 4.000 3.783 ( -0.000 0.000 -0.371) 0.371 3.783 ( -0.000 0.000 -0.371) 0.371 4.700 ( 0.000 -0.000 6.276) 6.276 4.858 ( -0.000 0.000 -0.051) 0.051 4.947 ( -0.000 0.000 -2.097) 2.097 4.947 ( -0.000 0.000 -2.097) 2.097 5.910 ( -0.000 0.000 -6.175) 6.175 5.910 ( -0.000 0.000 -6.175) 6.175 6.616 ( -0.000 0.000 -1.069) 1.069 7.095 ( 0.000 -0.000 9.180) 9.180 7.872 ( 0.000 -0.000 6.535) 6.535 7.872 ( 0.000 -0.000 6.535) 6.535 9.526 ( -0.000 0.000 -10.648) 10.648 10.408 ( 0.000 -0.000 6.353) 6.353 10.686 ( 0.000 -0.000 1.437) 1.437 10.686 ( 0.000 -0.000 1.437) 1.437 10.864 ( -0.000 0.000 -16.048) 16.048 11.966 ( -0.000 0.000 -1.113) 1.113 11.966 ( -0.000 0.000 -1.113) 1.113 12.689 ( 0.000 -0.000 19.664) 19.664 13.812 ( -0.000 0.000 -8.176) 8.176 14.456 ( 0.000 -0.000 5.347) 5.347 20.591 ( 0.000 -0.000 7.276) 7.276 20.591 ( 0.000 -0.000 7.276) 7.276 20.825 ( -0.000 0.000 -24.625) 24.625 21.485 ( -0.000 0.000 -6.365) 6.365 21.485 ( -0.000 0.000 -6.365) 6.365 22.860 ( 0.000 -0.000 11.816) 11.816 22.909 ( -0.000 0.000 -2.727) 2.727 23.197 ( 0.000 -0.000 3.651) 3.651 ======================= Grid point 219 (111/131) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 1.206 6.031 -0.000) 6.150 1.968 ( 1.481 0.145 0.000) 1.488 2.565 ( -4.228 -7.590 0.000) 8.688 2.795 ( 4.291 0.022 0.000) 4.291 2.966 ( -4.372 4.817 -0.000) 6.505 3.459 ( 14.575 17.375 -0.000) 22.679 3.819 ( 4.541 6.655 -0.000) 8.057 4.275 ( -3.300 -7.805 0.000) 8.474 4.636 ( -2.771 3.631 -0.000) 4.568 4.639 ( 1.475 -7.126 0.000) 7.277 5.388 ( -1.218 -3.757 0.000) 3.949 5.455 ( -3.661 -0.581 -0.000) 3.707 5.836 ( 2.849 -6.017 0.000) 6.657 5.934 ( 3.052 -4.362 0.000) 5.323 6.988 ( 6.337 8.908 -0.000) 10.932 7.737 ( -7.003 -13.264 0.000) 14.999 7.755 ( -4.669 13.315 -0.000) 14.110 8.269 ( 11.908 3.122 0.000) 12.310 9.500 ( 1.950 -1.908 0.000) 2.728 9.520 ( -1.369 -10.952 0.000) 11.037 10.646 ( -10.933 8.498 -0.000) 13.848 10.845 ( -2.754 6.902 -0.000) 7.431 11.574 ( 10.786 6.236 0.000) 12.459 12.164 ( 6.016 -11.684 0.000) 13.142 12.302 ( -6.396 -2.475 -0.000) 6.859 12.360 ( -3.195 -9.462 0.000) 9.987 13.191 ( -11.925 4.586 -0.000) 12.777 13.491 ( 11.185 7.576 0.000) 13.509 20.183 ( -10.891 -0.558 -0.000) 10.905 20.501 ( 1.435 -1.880 0.000) 2.365 21.156 ( 3.884 8.192 -0.000) 9.067 21.551 ( 7.955 3.014 0.000) 8.507 21.824 ( 4.392 1.460 0.000) 4.628 22.882 ( -7.368 0.365 -0.000) 7.377 23.013 ( 3.919 2.089 0.000) 4.441 23.904 ( -4.793 -14.144 0.000) 14.933 ======================= Grid point 220 (112/131) ======================= q-point: (-0.75 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 2.425 2.713 -0.000) 3.639 1.914 ( -1.904 -3.515 0.000) 3.998 2.346 ( -1.006 -8.634 0.000) 8.692 2.736 ( -4.173 -6.992 0.000) 8.142 2.994 ( 0.211 4.521 -0.000) 4.526 3.915 ( -4.499 1.539 -0.000) 4.755 4.068 ( 4.217 -6.004 0.000) 7.336 4.079 ( 8.079 6.114 0.000) 10.132 4.535 ( -1.316 -1.445 0.000) 1.955 4.615 ( 6.573 -5.043 0.000) 8.285 5.144 ( -2.019 -10.850 0.000) 11.036 5.316 ( -0.799 -6.254 0.000) 6.305 5.903 ( -2.133 7.387 -0.000) 7.688 5.921 ( -5.621 3.626 -0.000) 6.689 7.152 ( 4.272 -5.871 0.000) 7.261 7.358 ( -4.708 -11.884 0.000) 12.782 7.962 ( -3.583 14.024 -0.000) 14.474 8.353 ( -2.429 -7.773 0.000) 8.144 9.389 ( 1.942 -7.442 0.000) 7.691 9.480 ( 5.992 1.948 0.000) 6.301 10.687 ( -13.622 16.780 -0.000) 21.614 10.753 ( -14.912 6.368 -0.000) 16.214 11.594 ( 8.878 -10.890 0.000) 14.050 11.962 ( -3.085 -10.372 0.000) 10.821 12.257 ( -3.574 -3.500 -0.000) 5.002 12.375 ( 13.219 -0.607 0.000) 13.233 13.067 ( -13.128 9.800 -0.000) 16.382 13.803 ( 2.367 9.035 -0.000) 9.340 20.031 ( -4.838 0.973 -0.000) 4.935 20.537 ( 5.320 -0.949 0.000) 5.404 21.332 ( -1.095 6.370 -0.000) 6.463 21.619 ( -0.068 -1.721 0.000) 1.723 22.077 ( 11.186 7.037 0.000) 13.216 22.736 ( -6.995 0.545 -0.000) 7.017 23.148 ( 3.557 3.902 -0.000) 5.281 23.371 ( -15.174 -19.839 0.000) 24.977 ======================= Grid point 224 (113/131) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -3.180 -3.084 -0.000) 4.430 1.820 ( 3.781 0.425 0.000) 3.805 2.215 ( 1.934 -4.872 0.000) 5.242 2.495 ( -5.065 -5.227 0.000) 7.278 3.126 ( 4.636 4.886 -0.000) 6.736 3.712 ( -8.322 -0.700 -0.000) 8.351 3.888 ( -1.009 -12.147 0.000) 12.189 4.253 ( -0.851 0.149 -0.000) 0.864 4.508 ( 0.147 -7.460 0.000) 7.461 4.666 ( 10.472 -5.133 0.000) 11.662 5.005 ( 2.361 -5.323 0.000) 5.823 5.313 ( 5.812 0.234 0.000) 5.816 5.762 ( -14.734 2.073 -0.000) 14.879 6.017 ( -5.628 13.055 -0.000) 14.217 7.095 ( -2.036 -8.909 0.000) 9.139 7.114 ( 7.742 -5.801 0.000) 9.674 7.978 ( -6.522 -11.904 0.000) 13.573 8.073 ( -5.266 7.083 -0.000) 8.826 9.375 ( 4.288 -2.905 0.000) 5.180 9.534 ( -6.781 -0.755 -0.000) 6.823 10.708 ( -17.000 16.875 -0.000) 23.954 10.905 ( 7.172 19.888 -0.000) 21.142 11.633 ( 12.747 -7.893 0.000) 14.993 11.831 ( 4.441 -5.986 0.000) 7.454 12.073 ( -5.005 -5.974 0.000) 7.794 12.408 ( 0.674 -8.098 0.000) 8.126 13.113 ( -9.483 15.914 -0.000) 18.525 13.899 ( -5.994 4.303 -0.000) 7.379 20.032 ( 1.587 2.294 -0.000) 2.789 20.678 ( 8.170 1.338 0.000) 8.279 21.372 ( -5.163 4.922 -0.000) 7.133 21.544 ( -3.902 -1.333 -0.000) 4.124 22.493 ( 15.264 8.441 0.000) 17.443 22.539 ( -19.787 -18.072 -0.000) 26.797 22.713 ( -2.711 -2.101 -0.000) 3.430 23.284 ( 0.638 4.767 -0.000) 4.810 ======================= Grid point 226 (114/131) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -1.913 -0.744 -0.000) 2.053 1.902 ( 4.354 -1.022 0.000) 4.472 2.278 ( 6.523 3.628 0.000) 7.464 2.406 ( 3.919 -2.734 0.000) 4.779 3.407 ( 6.987 11.993 -0.000) 13.880 3.499 ( -5.292 -7.808 0.000) 9.432 3.803 ( 0.014 3.288 -0.000) 3.288 4.063 ( -14.501 0.185 -0.000) 14.502 4.329 ( 3.386 -8.811 0.000) 9.439 4.739 ( 9.108 -12.378 0.000) 15.368 5.037 ( 9.404 1.222 0.000) 9.483 5.393 ( 3.963 -4.346 0.000) 5.882 5.607 ( -8.708 9.025 -0.000) 12.541 6.144 ( -9.087 10.932 -0.000) 14.216 6.930 ( -0.113 -3.994 0.000) 3.996 7.244 ( 10.292 0.203 0.000) 10.294 7.889 ( 7.017 0.986 0.000) 7.086 8.091 ( -4.071 5.010 -0.000) 6.455 9.355 ( -5.288 -1.131 -0.000) 5.408 9.360 ( 0.655 -3.542 0.000) 3.602 10.738 ( -14.156 18.040 -0.000) 22.931 11.371 ( -2.282 7.800 -0.000) 8.127 11.801 ( -8.287 3.117 -0.000) 8.854 11.851 ( 21.109 0.656 0.000) 21.119 11.877 ( 8.864 -14.244 0.000) 16.777 12.242 ( 0.506 -6.279 0.000) 6.299 13.240 ( -10.892 16.983 -0.000) 20.176 13.766 ( -8.671 -2.037 -0.000) 8.908 20.169 ( 5.738 3.615 0.000) 6.782 20.820 ( 3.733 -4.605 0.000) 5.928 21.380 ( -2.979 5.699 -0.000) 6.431 21.422 ( -7.152 0.129 -0.000) 7.153 21.794 ( -14.596 -12.315 -0.000) 19.097 22.785 ( 1.434 5.494 -0.000) 5.678 22.969 ( 16.335 5.049 0.000) 17.098 23.340 ( -1.463 3.527 -0.000) 3.819 ======================= Grid point 230 (115/131) ======================= q-point: ( 0.25 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -2.391 0.880 -0.000) 2.548 1.939 ( 1.997 -0.855 0.000) 2.173 2.482 ( 8.538 -3.620 0.000) 9.274 2.564 ( 8.647 7.467 0.000) 11.425 3.220 ( -8.107 -6.620 -0.000) 10.466 3.597 ( -15.618 8.077 -0.000) 17.583 3.850 ( -3.584 3.292 -0.000) 4.866 4.032 ( 8.567 8.584 -0.000) 12.127 4.413 ( 11.791 0.186 0.000) 11.793 4.663 ( 4.810 -6.537 0.000) 8.116 5.305 ( 12.131 1.538 0.000) 12.228 5.359 ( 6.091 -6.655 0.000) 9.022 5.707 ( -4.801 11.075 -0.000) 12.071 6.040 ( -10.681 0.158 -0.000) 10.682 6.952 ( -0.398 4.672 -0.000) 4.689 7.505 ( 14.657 0.407 0.000) 14.662 8.008 ( -2.582 -0.552 -0.000) 2.641 8.135 ( -3.957 8.110 -0.000) 9.024 9.344 ( 3.781 1.681 0.000) 4.138 9.350 ( 5.382 -0.668 0.000) 5.424 10.850 ( -9.518 15.561 -0.000) 18.241 11.142 ( -14.089 -9.043 -0.000) 16.742 11.629 ( -6.758 -1.775 -0.000) 6.987 11.912 ( 9.836 -2.462 0.000) 10.139 12.235 ( 16.379 -8.051 0.000) 18.251 12.249 ( 4.162 4.043 0.000) 5.802 13.370 ( -10.653 17.961 -0.000) 20.882 13.510 ( -7.225 -7.807 0.000) 10.637 20.366 ( 6.134 3.489 0.000) 7.057 20.522 ( -4.474 -17.736 0.000) 18.291 21.277 ( -9.408 2.020 -0.000) 9.623 21.461 ( -3.497 7.426 -0.000) 8.209 21.676 ( 1.344 7.353 -0.000) 7.475 22.927 ( 0.422 6.149 -0.000) 6.164 23.062 ( -1.608 -6.528 0.000) 6.723 23.598 ( 15.501 4.591 0.000) 16.167 ======================= Grid point 233 (116/131) ======================= q-point: ( 0.75 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -1.554 -3.107 -0.000) 3.474 1.816 ( 1.554 3.107 -0.000) 3.474 2.234 ( -0.578 -1.157 -0.000) 1.293 2.234 ( 0.578 1.157 0.000) 1.293 2.967 ( -1.712 -3.425 -0.000) 3.829 2.967 ( 1.712 3.425 -0.000) 3.829 4.143 ( -2.774 -5.548 -0.000) 6.202 4.143 ( 2.774 5.548 -0.000) 6.202 4.981 ( -1.422 -2.845 -0.000) 3.180 4.981 ( 1.422 2.845 -0.000) 3.180 5.339 ( -3.302 -6.605 -0.000) 7.384 5.339 ( 3.302 6.605 -0.000) 7.384 5.595 ( -2.321 -4.643 -0.000) 5.190 5.595 ( 2.321 4.643 -0.000) 5.190 7.114 ( -4.128 -8.257 -0.000) 9.232 7.114 ( 4.128 8.257 -0.000) 9.232 7.587 ( -4.860 -9.719 -0.000) 10.866 7.587 ( 4.860 9.719 -0.000) 10.866 8.925 ( -3.639 -7.277 -0.000) 8.136 8.925 ( 3.639 7.277 -0.000) 8.136 10.870 ( -6.386 -12.772 -0.000) 14.280 10.870 ( 6.386 12.772 -0.000) 14.280 11.759 ( -3.876 -7.753 -0.000) 8.668 11.759 ( 3.876 7.753 -0.000) 8.668 12.286 ( -1.852 -3.704 -0.000) 4.141 12.286 ( 1.852 3.704 -0.000) 4.141 13.233 ( -3.840 -7.680 -0.000) 8.586 13.233 ( 3.840 7.680 -0.000) 8.586 20.709 ( -3.445 -6.891 -0.000) 7.704 20.709 ( 3.445 6.891 -0.000) 7.704 20.985 ( -3.149 -6.297 -0.000) 7.040 20.985 ( 3.149 6.297 0.000) 7.040 22.447 ( -7.020 -14.039 -0.000) 15.696 22.447 ( 7.020 14.039 -0.000) 15.696 22.816 ( -2.278 -4.555 -0.000) 5.093 22.816 ( 2.278 4.555 0.000) 5.093 ======================= Grid point 245 (117/131) ======================= q-point: (-0.48 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 1.874 -5.504 -11.713) 13.076 1.689 ( -2.003 -10.364 -5.714) 12.003 2.133 ( -2.910 -0.621 0.235) 2.985 2.371 ( 4.196 -9.293 6.670) 12.184 3.105 ( -3.588 -6.664 -6.593) 10.037 3.399 ( 4.535 -12.788 -8.873) 16.212 3.840 ( 3.202 -0.372 -8.452) 9.046 4.001 ( -9.707 -4.805 -3.148) 11.279 4.432 ( 4.403 0.714 2.168) 4.959 4.612 ( 2.478 5.489 6.170) 8.622 4.962 ( 3.113 1.952 -1.242) 3.879 5.076 ( -2.767 -4.822 2.549) 6.116 6.161 ( 8.672 -0.169 4.996) 10.010 6.368 ( -12.980 -6.848 -1.497) 14.751 6.618 ( 4.465 0.619 2.246) 5.036 6.904 ( -0.749 -9.909 -0.813) 9.970 7.998 ( -0.119 -8.836 2.044) 9.071 8.067 ( 1.333 -12.920 5.651) 14.165 9.208 ( 0.032 13.845 -15.114) 20.497 9.880 ( 8.368 11.898 10.129) 17.725 10.908 ( -14.652 -11.012 -0.364) 18.333 11.122 ( 0.393 5.862 -16.235) 17.265 11.443 ( 3.298 -17.557 3.924) 18.290 11.636 ( -3.723 11.082 2.616) 11.979 12.079 ( 0.628 -4.876 -0.101) 4.917 12.330 ( 3.760 -0.887 14.516) 15.022 13.735 ( -5.337 12.257 -4.545) 14.120 14.029 ( 5.887 9.951 -1.026) 11.607 20.342 ( -3.382 4.731 0.801) 5.870 20.450 ( -1.706 0.469 5.234) 5.525 21.377 ( 4.298 4.034 -14.399) 15.559 21.560 ( 1.145 0.563 -1.009) 1.627 21.751 ( 2.592 -8.449 -12.185) 15.053 22.850 ( -0.457 -8.761 11.521) 14.481 23.002 ( -1.856 -1.855 -2.387) 3.547 23.196 ( -0.843 -4.770 10.993) 12.013 ======================= Grid point 248 (118/131) ======================= q-point: (-0.48 -0.28 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 1.939 -7.293 -12.240) 14.380 1.536 ( 9.173 -3.723 -10.283) 14.274 2.129 ( 1.374 2.621 3.853) 4.858 2.273 ( 1.643 -6.908 6.778) 9.816 2.977 ( 8.495 -6.438 -16.984) 20.051 3.288 ( 1.321 -3.416 -2.447) 4.404 3.813 ( -2.418 -0.517 -5.852) 6.353 3.946 ( 10.199 -3.331 -2.408) 10.996 4.471 ( -4.500 2.147 2.720) 5.679 4.716 ( -4.228 2.707 4.515) 6.752 4.902 ( -3.373 2.639 -1.045) 4.408 5.117 ( 5.564 -5.813 1.241) 8.142 6.031 ( -3.416 -0.419 -2.485) 4.244 6.322 ( 13.075 -7.227 1.076) 14.978 6.687 ( 2.083 -4.643 -1.943) 5.447 6.807 ( -2.543 3.748 4.661) 6.499 7.761 ( 1.610 -1.113 4.904) 5.280 8.004 ( 8.958 -9.939 4.331) 14.064 9.413 ( -11.186 11.986 -14.937) 22.179 9.952 ( -13.796 4.819 8.291) 16.801 10.917 ( 21.558 1.638 0.931) 21.641 11.114 ( 4.574 -14.922 0.863) 15.631 11.202 ( 0.300 -3.216 -14.256) 14.617 11.804 ( -5.864 8.351 3.847) 10.905 12.001 ( -0.043 -0.562 -1.589) 1.686 12.308 ( 0.663 -3.204 16.000) 16.331 13.854 ( -5.843 9.345 -6.375) 12.732 14.144 ( -8.686 4.753 2.252) 10.154 20.302 ( -5.480 6.167 3.483) 8.955 20.573 ( 6.455 -2.513 4.952) 8.515 21.484 ( -6.880 -4.361 -19.171) 20.830 21.515 ( 0.502 3.612 -5.985) 7.009 21.646 ( 5.135 -5.005 -9.602) 11.984 22.692 ( 5.850 -5.383 19.236) 20.814 22.921 ( -2.667 4.581 -1.284) 5.454 23.229 ( 6.174 -6.057 5.265) 10.126 ======================= Grid point 265 (119/131) ======================= q-point: (-0.70 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 1.745 2.521 -0.000) 3.066 1.928 ( -0.193 -3.424 0.000) 3.430 2.401 ( -4.096 -8.667 0.000) 9.586 2.701 ( 5.914 -8.227 0.000) 10.132 3.079 ( -7.162 5.287 -0.000) 8.902 3.796 ( 11.322 14.538 -0.000) 18.427 3.938 ( 5.882 5.179 0.000) 7.837 4.093 ( -2.269 -8.930 0.000) 9.213 4.485 ( 6.089 -7.651 0.000) 9.778 4.577 ( -2.550 -8.119 0.000) 8.510 5.228 ( -6.062 -9.312 0.000) 11.111 5.324 ( 0.230 -11.197 0.000) 11.200 5.874 ( 5.275 6.452 -0.000) 8.334 6.004 ( -3.181 9.999 -0.000) 10.492 7.057 ( 5.394 -3.315 0.000) 6.331 7.452 ( -4.583 -15.269 0.000) 15.942 7.999 ( -0.607 10.470 -0.000) 10.487 8.301 ( 7.045 -0.510 0.000) 7.064 9.363 ( 0.689 -8.190 0.000) 8.219 9.379 ( 3.514 -2.142 0.000) 4.115 10.939 ( -11.570 17.934 -0.000) 21.342 10.991 ( -4.075 7.932 -0.000) 8.918 11.503 ( -2.677 -12.460 0.000) 12.744 12.072 ( -7.663 -14.535 0.000) 16.431 12.087 ( 14.780 2.780 0.000) 15.039 12.291 ( 0.189 -3.660 0.000) 3.664 13.315 ( -11.671 8.289 -0.000) 14.315 13.669 ( 11.408 10.077 0.000) 15.222 20.209 ( -13.097 2.974 -0.000) 13.430 20.443 ( 4.333 -3.617 0.000) 5.644 21.320 ( 1.906 7.992 -0.000) 8.216 21.578 ( 4.148 -0.241 0.000) 4.155 21.859 ( 10.699 2.362 0.000) 10.957 22.901 ( -9.129 1.237 -0.000) 9.212 23.050 ( 6.012 1.568 0.000) 6.213 23.584 ( -6.014 -18.172 0.000) 19.141 ======================= Grid point 269 (120/131) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 2.827 -0.653 0.000) 2.901 1.836 ( -1.387 -4.302 0.000) 4.520 2.192 ( -0.412 -6.669 0.000) 6.681 2.573 ( -0.762 -9.408 0.000) 9.439 3.062 ( -0.181 2.851 -0.000) 2.856 3.856 ( 0.635 -10.441 0.000) 10.460 3.916 ( -8.990 -4.718 -0.000) 10.153 4.146 ( 9.088 -0.219 0.000) 9.091 4.496 ( 2.454 -3.096 0.000) 3.951 4.541 ( 5.094 -1.199 0.000) 5.233 4.981 ( -1.528 -5.595 0.000) 5.800 5.198 ( 5.528 -3.703 0.000) 6.654 6.035 ( -12.459 5.434 -0.000) 13.593 6.085 ( -0.208 10.239 -0.000) 10.241 6.964 ( 6.699 -11.266 0.000) 13.107 7.115 ( -0.901 -12.654 0.000) 12.686 8.133 ( -7.636 -13.979 0.000) 15.929 8.141 ( -0.914 3.371 -0.000) 3.492 9.296 ( 2.938 -0.468 0.000) 2.975 9.588 ( 2.411 8.086 -0.000) 8.437 10.874 ( -5.872 5.069 -0.000) 7.757 11.036 ( -15.354 16.998 -0.000) 22.905 11.414 ( 9.558 -5.342 0.000) 10.950 11.751 ( 2.370 -11.282 0.000) 11.529 12.164 ( -3.303 -5.687 0.000) 6.577 12.333 ( 6.897 -3.781 0.000) 7.865 13.316 ( -10.771 14.948 -0.000) 18.424 13.965 ( 0.163 7.117 -0.000) 7.119 20.076 ( -6.392 3.403 -0.000) 7.242 20.520 ( 7.730 -0.482 0.000) 7.745 21.447 ( -2.125 5.118 -0.000) 5.541 21.584 ( -0.240 -1.520 0.000) 1.539 22.195 ( 15.024 4.842 0.000) 15.785 22.766 ( -6.317 2.162 -0.000) 6.677 22.941 ( -16.778 -23.336 0.000) 28.741 23.216 ( 5.916 2.703 0.000) 6.505 ======================= Grid point 271 (121/131) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.161 -2.811 0.000) 3.041 1.802 ( 5.220 -1.964 0.000) 5.577 2.162 ( 5.190 -0.566 0.000) 5.220 2.378 ( -0.495 -6.644 0.000) 6.662 3.242 ( 8.790 7.009 0.000) 11.242 3.560 ( -1.370 -14.084 0.000) 14.150 3.811 ( -2.077 4.662 -0.000) 5.104 4.255 ( 0.301 0.119 0.000) 0.324 4.355 ( -4.013 -6.571 0.000) 7.700 4.551 ( 4.077 -6.154 0.000) 7.382 4.925 ( 2.709 -2.775 0.000) 3.878 5.297 ( 5.982 -2.957 0.000) 6.673 5.815 ( -12.379 3.682 -0.000) 12.915 6.286 ( -4.056 12.837 -0.000) 13.463 6.903 ( 2.249 -10.791 0.000) 11.022 7.018 ( 12.311 -3.812 0.000) 12.888 7.796 ( 1.220 -5.256 0.000) 5.396 8.146 ( -0.935 0.759 -0.000) 1.204 9.365 ( -0.811 2.816 -0.000) 2.930 9.515 ( -10.930 -1.345 -0.000) 11.013 11.023 ( -14.593 13.560 -0.000) 19.920 11.278 ( 16.724 15.623 0.000) 22.886 11.504 ( 7.593 -3.861 0.000) 8.519 11.669 ( 9.063 -12.100 0.000) 15.118 11.979 ( -6.452 -1.502 -0.000) 6.625 12.250 ( -0.358 -7.845 0.000) 7.853 13.447 ( -10.038 17.754 -0.000) 20.395 13.943 ( -8.694 0.049 -0.000) 8.694 20.100 ( 0.753 4.526 -0.000) 4.588 20.696 ( 8.159 -0.229 0.000) 8.162 21.461 ( -4.580 4.016 -0.000) 6.092 21.528 ( -3.599 -0.260 -0.000) 3.608 22.123 ( -17.969 -19.952 0.000) 26.851 22.619 ( 18.353 4.352 0.000) 18.862 22.773 ( -0.694 5.393 -0.000) 5.438 23.339 ( 2.440 0.151 0.000) 2.444 ======================= Grid point 275 (122/131) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -0.402 0.206 -0.000) 0.452 1.868 ( 4.835 -1.788 0.000) 5.155 2.333 ( 6.253 -4.556 0.000) 7.737 2.377 ( 9.961 6.129 0.000) 11.695 3.319 ( -1.982 -9.226 0.000) 9.437 3.631 ( 10.256 10.038 0.000) 14.351 3.895 ( -0.755 4.522 -0.000) 4.584 4.132 ( -15.631 5.306 -0.000) 16.507 4.265 ( 1.998 2.779 -0.000) 3.422 4.492 ( 11.114 -11.441 0.000) 15.950 5.063 ( 11.233 1.581 0.000) 11.344 5.258 ( 4.025 -8.696 0.000) 9.583 5.812 ( -5.329 11.056 -0.000) 12.273 6.279 ( -12.556 2.103 -0.000) 12.731 6.871 ( 8.556 -1.744 0.000) 8.732 7.222 ( 13.977 -2.596 0.000) 14.216 7.964 ( 6.419 6.353 0.000) 9.031 8.179 ( 0.143 3.966 -0.000) 3.968 9.323 ( -2.698 -2.288 -0.000) 3.538 9.352 ( -5.017 3.054 -0.000) 5.874 11.039 ( -9.504 12.102 -0.000) 15.388 11.391 ( -10.536 -3.406 -0.000) 11.073 11.535 ( 10.619 -19.840 0.000) 22.503 11.860 ( 21.112 -2.790 0.000) 21.295 11.933 ( -6.411 9.836 -0.000) 11.741 12.172 ( 3.662 0.022 0.000) 3.662 13.588 ( -10.985 17.229 -0.000) 20.433 13.682 ( -10.273 -6.441 -0.000) 12.125 20.258 ( 4.423 5.388 -0.000) 6.971 20.608 ( -3.242 -15.865 0.000) 16.193 21.436 ( -6.571 1.114 -0.000) 6.665 21.483 ( -0.266 4.680 -0.000) 4.688 21.724 ( -5.641 4.765 -0.000) 7.384 22.914 ( 0.810 7.547 -0.000) 7.591 22.993 ( 11.088 -2.282 0.000) 11.320 23.352 ( 7.315 -2.826 0.000) 7.842 ======================= Grid point 293 (123/131) ======================= q-point: (-0.43 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 1.502 -3.904 -14.153) 14.758 1.482 ( -1.523 -9.367 -11.654) 15.030 2.145 ( -2.599 1.446 5.013) 5.829 2.221 ( 3.050 -5.549 8.273) 10.419 2.900 ( -0.506 -10.758 -20.669) 23.306 3.270 ( 0.402 -2.282 -1.821) 2.947 3.817 ( 2.602 -1.512 -2.772) 4.091 3.876 ( -3.659 -6.714 -1.945) 7.890 4.522 ( 0.563 7.153 -0.289) 7.181 4.736 ( 0.590 6.095 4.555) 7.632 4.987 ( -2.403 0.102 -0.915) 2.573 5.009 ( 2.643 -2.205 0.649) 3.503 6.100 ( 6.369 -4.842 -1.660) 8.172 6.153 ( -6.798 -10.410 -3.662) 12.961 6.649 ( 0.289 0.111 -0.810) 0.867 6.851 ( -0.073 2.860 6.427) 7.035 7.819 ( -4.720 -7.956 4.251) 10.181 7.837 ( 4.802 -9.540 5.361) 11.951 9.542 ( -0.603 18.325 -13.638) 22.851 10.094 ( 5.386 9.755 8.926) 14.277 10.729 ( -10.186 -6.727 0.700) 12.227 10.998 ( 4.949 -24.300 3.533) 25.049 11.226 ( 0.002 4.006 -19.717) 20.120 11.871 ( -0.630 10.170 2.088) 10.401 12.009 ( -0.064 -2.269 -0.510) 2.327 12.284 ( 0.854 -3.375 17.818) 18.155 13.926 ( -1.011 6.422 -7.287) 9.765 14.221 ( 1.141 8.880 4.385) 9.969 20.424 ( 3.239 3.615 3.497) 5.982 20.463 ( -4.737 0.456 4.446) 6.513 21.449 ( 2.261 0.841 -22.244) 22.374 21.576 ( 2.365 0.240 -3.233) 4.012 21.596 ( -2.396 -3.680 -9.170) 10.167 22.636 ( -0.176 -10.583 20.166) 22.775 22.982 ( -0.841 -0.643 -3.172) 3.344 23.139 ( 0.248 -1.785 5.023) 5.337 ======================= Grid point 313 (124/131) ======================= q-point: (-0.65 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 1.514 -0.607 0.000) 1.631 1.848 ( -0.353 -4.779 0.000) 4.792 2.241 ( -4.187 -7.169 0.000) 8.302 2.505 ( 6.257 -11.115 0.000) 12.755 3.152 ( -7.561 2.133 -0.000) 7.856 3.786 ( 5.671 -12.396 0.000) 13.632 3.988 ( 6.107 -1.026 0.000) 6.192 4.117 ( -8.744 5.819 -0.000) 10.504 4.399 ( 8.721 0.311 0.000) 8.726 4.412 ( 4.146 -5.507 0.000) 6.893 5.083 ( -8.088 -5.154 -0.000) 9.591 5.109 ( 3.373 -8.935 0.000) 9.550 6.007 ( 7.776 6.111 0.000) 9.890 6.229 ( -6.717 11.267 -0.000) 13.117 6.873 ( 2.292 -13.956 0.000) 14.143 7.157 ( -3.335 -14.229 0.000) 14.614 8.095 ( 5.423 -1.567 0.000) 5.645 8.221 ( -0.693 -8.035 0.000) 8.065 9.280 ( -1.271 1.151 -0.000) 1.714 9.468 ( 7.736 10.564 -0.000) 13.094 11.125 ( -16.363 -0.665 -0.000) 16.376 11.249 ( 6.303 -4.906 0.000) 7.987 11.277 ( -8.708 15.574 -0.000) 17.843 11.767 ( -4.114 -16.697 0.000) 17.196 12.150 ( 11.125 2.025 0.000) 11.308 12.192 ( 0.384 -5.963 0.000) 5.975 13.520 ( -9.676 12.477 -0.000) 15.790 13.867 ( 10.081 9.571 0.000) 13.901 20.287 ( -14.723 4.566 -0.000) 15.415 20.377 ( 6.722 -2.615 0.000) 7.213 21.457 ( 0.700 5.804 -0.000) 5.846 21.558 ( 2.764 -1.149 0.000) 2.994 21.914 ( 12.990 2.990 0.000) 13.329 22.899 ( -6.588 -3.655 -0.000) 7.534 23.072 ( 8.172 0.613 0.000) 8.195 23.218 ( -10.754 -16.899 0.000) 20.031 ======================= Grid point 315 (125/131) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 3.449 -3.039 0.000) 4.597 1.743 ( -0.056 -5.127 0.000) 5.127 2.093 ( 1.170 -3.390 0.000) 3.586 2.377 ( 2.146 -10.268 0.000) 10.490 3.120 ( 2.013 3.238 -0.000) 3.812 3.557 ( 1.386 -15.821 0.000) 15.882 3.911 ( -7.522 0.833 -0.000) 7.568 4.077 ( 11.270 -5.526 0.000) 12.552 4.423 ( -2.175 -2.493 0.000) 3.309 4.577 ( -0.336 3.809 -0.000) 3.824 4.913 ( -2.041 -1.686 -0.000) 2.647 5.159 ( 7.802 -1.632 0.000) 7.971 6.086 ( -14.851 -0.467 -0.000) 14.858 6.265 ( 6.083 6.852 -0.000) 9.163 6.784 ( 10.919 -5.661 0.000) 12.299 6.879 ( -0.474 -10.562 0.000) 10.573 7.855 ( -6.538 -12.676 0.000) 14.263 8.111 ( 4.664 -5.519 0.000) 7.226 9.385 ( -1.306 9.307 -0.000) 9.398 9.737 ( -8.616 5.771 -0.000) 10.370 10.913 ( 13.507 -0.646 0.000) 13.523 11.298 ( -12.737 6.107 -0.000) 14.125 11.443 ( 1.956 7.632 -0.000) 7.879 11.517 ( 5.983 -10.084 0.000) 11.725 12.064 ( -2.290 -3.560 0.000) 4.233 12.232 ( 2.540 -6.355 0.000) 6.843 13.633 ( -8.872 16.792 -0.000) 18.992 14.070 ( -3.099 3.332 -0.000) 4.550 20.158 ( -6.989 4.835 -0.000) 8.499 20.523 ( 9.026 0.621 0.000) 9.047 21.531 ( -2.197 3.559 -0.000) 4.182 21.567 ( -0.490 -0.139 -0.000) 0.509 22.265 ( 17.302 2.212 0.000) 17.443 22.455 ( -14.016 -24.050 0.000) 27.837 22.840 ( -7.181 4.198 -0.000) 8.318 23.240 ( 7.329 -0.706 0.000) 7.363 ======================= Grid point 319 (126/131) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 1.383 -1.708 0.000) 2.198 1.759 ( 6.003 -1.973 0.000) 6.318 2.189 ( 8.689 3.285 0.000) 9.289 2.243 ( 3.114 -6.817 0.000) 7.494 3.321 ( 0.973 -9.588 0.000) 9.637 3.389 ( 12.680 7.291 0.000) 14.627 3.889 ( 0.720 1.487 -0.000) 1.652 4.220 ( 12.684 -4.927 0.000) 13.607 4.323 ( -6.403 4.635 -0.000) 7.905 4.460 ( -12.486 -2.209 -0.000) 12.680 4.912 ( 3.440 2.018 0.000) 3.988 5.186 ( 3.775 -7.901 0.000) 8.756 5.921 ( -6.069 7.274 -0.000) 9.474 6.478 ( -3.569 6.520 -0.000) 7.433 6.670 ( 7.204 -12.761 0.000) 14.654 6.959 ( 12.576 -2.474 0.000) 12.817 7.805 ( 8.226 5.897 0.000) 10.122 8.116 ( 6.149 -3.663 0.000) 7.157 9.475 ( -12.835 -2.689 -0.000) 13.113 9.496 ( -8.316 10.311 -0.000) 13.246 11.169 ( -0.100 -3.407 0.000) 3.408 11.382 ( 22.910 -0.493 0.000) 22.915 11.401 ( -1.126 -8.999 0.000) 9.069 11.571 ( -3.457 4.899 -0.000) 5.996 12.028 ( -2.723 5.439 -0.000) 6.082 12.119 ( 1.709 -4.625 0.000) 4.930 13.788 ( -9.182 16.012 -0.000) 18.458 13.902 ( -11.532 -4.053 -0.000) 12.224 20.209 ( 0.180 6.487 -0.000) 6.489 20.615 ( 2.728 -9.150 0.000) 9.548 21.523 ( -3.650 2.163 -0.000) 4.243 21.534 ( -3.467 0.706 -0.000) 3.538 21.868 ( -8.773 -3.690 -0.000) 9.518 22.665 ( 19.742 0.294 0.000) 19.745 22.904 ( -0.147 7.834 -0.000) 7.836 23.269 ( 3.483 -7.484 0.000) 8.255 ======================= Grid point 340 (127/131) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.000 0.000 -14.812) 14.812 1.379 ( -0.000 0.000 -14.812) 14.812 2.165 ( 0.000 -0.000 8.861) 8.861 2.165 ( 0.000 -0.000 8.861) 8.861 2.783 ( -0.000 0.000 -26.642) 26.642 3.253 ( -0.000 0.000 -0.596) 0.596 3.799 ( -0.000 0.000 -0.899) 0.899 3.799 ( -0.000 0.000 -0.899) 0.899 4.615 ( 0.000 -0.000 0.761) 0.761 4.808 ( 0.000 -0.000 4.847) 4.847 4.983 ( -0.000 0.000 -1.149) 1.149 4.983 ( -0.000 0.000 -1.149) 1.149 6.040 ( -0.000 0.000 -5.167) 5.167 6.040 ( -0.000 0.000 -5.167) 5.167 6.651 ( -0.000 0.000 -2.464) 2.464 6.894 ( 0.000 -0.000 8.835) 8.835 7.734 ( 0.000 -0.000 5.510) 5.510 7.734 ( 0.000 -0.000 5.510) 5.510 9.773 ( -0.000 0.000 -11.878) 11.878 10.241 ( 0.000 -0.000 9.048) 9.048 10.660 ( 0.000 -0.000 0.937) 0.937 10.660 ( 0.000 -0.000 0.937) 0.937 11.267 ( -0.000 0.000 -20.957) 20.957 11.987 ( -0.000 0.000 -0.748) 0.748 11.987 ( -0.000 0.000 -0.748) 0.748 12.234 ( 0.000 -0.000 22.277) 22.277 13.987 ( -0.000 0.000 -8.083) 8.083 14.321 ( 0.000 -0.000 7.023) 7.023 20.466 ( 0.000 -0.000 4.118) 4.118 20.466 ( 0.000 -0.000 4.118) 4.118 21.409 ( -0.000 0.000 -28.529) 28.529 21.593 ( -0.000 0.000 -3.481) 3.481 21.593 ( -0.000 0.000 -3.481) 3.481 22.516 ( 0.000 -0.000 20.080) 20.080 22.975 ( -0.000 0.000 -3.289) 3.289 23.121 ( 0.000 -0.000 3.433) 3.433 ======================= Grid point 361 (128/131) ======================= q-point: (-0.60 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.755 -3.045 0.000) 3.137 1.739 ( -0.014 -6.149 0.000) 6.149 2.127 ( -4.373 -4.456 0.000) 6.243 2.285 ( 5.946 -10.746 0.000) 12.282 3.171 ( -5.938 0.159 -0.000) 5.940 3.505 ( 4.215 -14.766 0.000) 15.356 3.920 ( 4.021 -4.513 0.000) 6.045 4.076 ( -8.600 -7.830 -0.000) 11.631 4.444 ( -0.388 6.555 -0.000) 6.566 4.482 ( 8.764 6.646 0.000) 10.999 5.007 ( 7.062 -1.778 0.000) 7.283 5.020 ( -7.998 -1.679 -0.000) 8.172 6.095 ( 9.818 2.574 0.000) 10.149 6.382 ( -14.735 -0.193 -0.000) 14.736 6.609 ( 6.615 -6.978 0.000) 9.615 6.912 ( -2.327 -10.158 0.000) 10.421 7.970 ( 9.045 -9.638 0.000) 13.218 8.004 ( -7.428 -12.801 0.000) 14.800 9.421 ( -2.448 12.750 -0.000) 12.983 9.721 ( 9.760 13.300 -0.000) 16.497 10.912 ( -12.560 -11.897 -0.000) 17.300 11.398 ( 2.623 11.122 -0.000) 11.427 11.399 ( 2.139 -20.239 0.000) 20.352 11.539 ( -7.005 10.160 -0.000) 12.340 12.081 ( -0.167 -4.782 0.000) 4.785 12.147 ( 5.780 -2.257 0.000) 6.205 13.791 ( -7.054 14.400 -0.000) 16.035 14.030 ( 7.553 6.760 0.000) 10.137 20.353 ( 8.123 0.308 0.000) 8.129 20.369 ( -13.558 3.340 -0.000) 13.963 21.547 ( 0.312 3.449 -0.000) 3.463 21.556 ( 1.349 1.191 0.000) 1.800 21.968 ( 11.807 2.299 0.000) 12.028 22.628 ( -4.404 -21.267 0.000) 21.718 23.058 ( -12.960 -1.547 -0.000) 13.052 23.073 ( 9.016 -0.492 0.000) 9.030 ======================= Grid point 365 (129/131) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 1.939 -4.015 0.000) 4.459 1.652 ( 4.329 -2.784 0.000) 5.148 2.061 ( 3.629 0.290 0.000) 3.641 2.187 ( 3.369 -8.578 0.000) 9.216 3.191 ( 6.003 3.840 0.000) 7.126 3.299 ( 1.356 -9.856 0.000) 9.949 3.882 ( -0.145 -3.677 0.000) 3.679 3.971 ( 10.852 -4.751 0.000) 11.847 4.467 ( -7.507 6.853 -0.000) 10.165 4.636 ( -4.122 0.897 -0.000) 4.218 4.916 ( -3.028 2.324 -0.000) 3.817 5.100 ( 4.922 -4.416 0.000) 6.612 6.057 ( -7.657 -0.652 -0.000) 7.685 6.307 ( 12.541 -2.627 0.000) 12.813 6.726 ( -5.077 -5.187 0.000) 7.258 6.748 ( 8.134 1.003 0.000) 8.196 7.700 ( 1.266 -1.969 0.000) 2.341 7.955 ( 9.633 -9.632 0.000) 13.622 9.646 ( -6.514 16.411 -0.000) 17.656 9.792 ( -17.145 -0.116 -0.000) 17.145 10.907 ( 22.123 0.994 0.000) 22.145 11.071 ( 6.483 -20.387 0.000) 21.393 11.546 ( -9.643 5.256 -0.000) 10.983 11.625 ( -1.117 8.541 -0.000) 8.614 12.040 ( 1.189 0.805 0.000) 1.436 12.097 ( 0.931 -6.772 0.000) 6.836 13.944 ( -6.636 13.761 -0.000) 15.278 14.095 ( -6.822 -0.691 -0.000) 6.857 20.263 ( -5.751 5.831 -0.000) 8.190 20.518 ( 6.398 -2.189 0.000) 6.762 21.579 ( -1.391 1.181 -0.000) 1.825 21.588 ( -2.190 2.112 -0.000) 3.042 22.058 ( -9.791 -13.732 0.000) 16.865 22.278 ( 18.435 -1.027 0.000) 18.463 22.937 ( -3.628 5.635 -0.000) 6.702 23.180 ( 5.654 -5.356 0.000) 7.788 ======================= Grid point 411 (130/131) ======================= q-point: (-0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.072 -3.186 0.000) 3.187 1.623 ( 0.096 -4.943 0.000) 4.944 2.061 ( -3.589 -2.359 -0.000) 4.295 2.106 ( 3.999 -6.818 0.000) 7.904 3.170 ( -3.257 -0.053 -0.000) 3.257 3.259 ( 2.809 -9.068 0.000) 9.494 3.842 ( 1.606 -3.047 0.000) 3.445 3.902 ( -2.145 -8.248 0.000) 8.522 4.594 ( -4.835 7.400 -0.000) 8.840 4.613 ( 5.789 5.817 -0.000) 8.207 4.998 ( 5.243 -0.073 0.000) 5.244 5.002 ( -5.135 -0.517 -0.000) 5.161 6.111 ( 6.595 -0.483 0.000) 6.613 6.205 ( -6.873 -9.982 0.000) 12.120 6.667 ( -0.061 5.924 -0.000) 5.925 6.772 ( 0.225 -4.140 0.000) 4.146 7.771 ( -7.776 -9.668 0.000) 12.407 7.771 ( 7.906 -9.177 0.000) 12.113 9.748 ( -3.907 19.182 -0.000) 19.576 9.939 ( 7.854 8.170 -0.000) 11.333 10.722 ( -8.790 -7.053 -0.000) 11.270 10.961 ( 4.413 -22.939 0.000) 23.360 11.616 ( 1.908 10.297 -0.000) 10.472 11.693 ( -3.120 5.235 -0.000) 6.094 12.014 ( -0.370 -2.035 0.000) 2.068 12.071 ( 1.740 -5.089 0.000) 5.379 14.048 ( -3.933 10.538 -0.000) 11.248 14.128 ( 4.050 3.245 0.000) 5.190 20.386 ( 6.685 2.623 0.000) 7.181 20.412 ( -8.031 1.114 -0.000) 8.108 21.599 ( -0.769 2.666 -0.000) 2.775 21.601 ( 0.655 2.283 -0.000) 2.375 22.001 ( 7.714 1.025 0.000) 7.781 22.215 ( -5.635 -18.308 0.000) 19.156 23.048 ( -7.101 -0.108 -0.000) 7.102 23.057 ( 6.428 -0.884 0.000) 6.489 ======================= Grid point 460 (131/131) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 -0.000 0.000) 0.000 1.571 ( 0.000 -0.000 0.000) 0.000 2.036 ( -0.000 0.000 0.000) 0.000 2.036 ( 0.000 -0.000 0.000) 0.000 3.170 ( 0.000 -0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 -0.000 0.000) 0.000 3.811 ( 0.000 -0.000 0.000) 0.000 4.677 ( 0.000 -0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.995 ( -0.000 -0.000 0.000) 0.000 4.995 ( -0.000 0.000 0.000) 0.000 6.101 ( 0.000 -0.000 0.000) 0.000 6.101 ( 0.000 -0.000 0.000) 0.000 6.735 ( 0.000 -0.000 0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 -0.000 0.000) 0.000 10.023 ( 0.000 -0.000 0.000) 0.000 10.023 ( 0.000 -0.000 0.000) 0.000 10.649 ( -0.000 -0.000 0.000) 0.000 10.649 ( 0.000 -0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 11.996 ( 0.000 -0.000 0.000) 0.000 11.996 ( -0.000 -0.000 0.000) 0.000 14.159 ( 0.000 -0.000 0.000) 0.000 14.159 ( 0.000 0.000 0.000) 0.000 20.421 ( -0.000 0.000 0.000) 0.000 20.421 ( 0.000 0.000 0.000) 0.000 21.631 ( 0.000 -0.000 0.000) 0.000 21.631 ( 0.000 0.000 0.000) 0.000 22.010 ( 0.000 -0.000 0.000) 0.000 22.010 ( 0.000 -0.000 0.000) 0.000 23.047 ( 0.000 0.000 0.000) 0.000 23.047 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 1486.097 1486.097 889.481 -0.000 0.000 0.000 3/28800 20.0 197.034 197.034 145.216 -0.000 0.000 0.000 3/28800 30.0 73.572 73.572 54.244 -0.000 0.000 0.000 3/28800 40.0 40.085 40.085 29.321 -0.000 0.000 0.000 3/28800 50.0 26.576 26.576 19.265 -0.000 0.000 0.000 3/28800 60.0 19.733 19.733 14.169 -0.000 0.000 0.000 3/28800 70.0 15.710 15.710 11.178 -0.000 0.000 0.000 3/28800 80.0 13.088 13.088 9.238 -0.000 0.000 0.000 3/28800 90.0 11.251 11.251 7.888 -0.000 0.000 0.000 3/28800 100.0 9.892 9.892 6.897 -0.000 0.000 0.000 3/28800 110.0 8.845 8.845 6.140 -0.000 0.000 0.000 3/28800 120.0 8.014 8.014 5.542 -0.000 0.000 0.000 3/28800 130.0 7.336 7.336 5.058 -0.000 0.000 0.000 3/28800 140.0 6.771 6.771 4.657 -0.000 0.000 0.000 3/28800 150.0 6.294 6.294 4.320 -0.000 0.000 0.000 3/28800 160.0 5.883 5.883 4.032 -0.000 0.000 0.000 3/28800 170.0 5.527 5.527 3.783 -0.000 0.000 0.000 3/28800 180.0 5.213 5.213 3.565 -0.000 0.000 0.000 3/28800 190.0 4.936 4.936 3.372 -0.000 0.000 0.000 3/28800 200.0 4.688 4.688 3.201 -0.000 0.000 0.000 3/28800 210.0 4.465 4.465 3.048 -0.000 0.000 0.000 3/28800 220.0 4.264 4.264 2.909 -0.000 0.000 0.000 3/28800 230.0 4.080 4.080 2.784 -0.000 0.000 0.000 3/28800 240.0 3.913 3.913 2.669 -0.000 0.000 0.000 3/28800 250.0 3.759 3.759 2.564 -0.000 0.000 0.000 3/28800 260.0 3.618 3.618 2.468 -0.000 0.000 0.000 3/28800 270.0 3.487 3.487 2.379 -0.000 0.000 0.000 3/28800 280.0 3.365 3.365 2.296 -0.000 0.000 0.000 3/28800 290.0 3.252 3.252 2.219 -0.000 0.000 0.000 3/28800 300.0 3.147 3.147 2.148 -0.000 0.000 0.000 3/28800 310.0 3.048 3.048 2.081 -0.000 0.000 0.000 3/28800 320.0 2.956 2.956 2.018 -0.000 0.000 0.000 3/28800 330.0 2.869 2.869 1.959 -0.000 0.000 0.000 3/28800 340.0 2.787 2.787 1.903 -0.000 0.000 0.000 3/28800 350.0 2.710 2.710 1.851 -0.000 0.000 0.000 3/28800 360.0 2.636 2.636 1.802 -0.000 0.000 0.000 3/28800 370.0 2.567 2.567 1.755 -0.000 0.000 0.000 3/28800 380.0 2.502 2.502 1.710 -0.000 0.000 0.000 3/28800 390.0 2.440 2.440 1.668 -0.000 0.000 0.000 3/28800 400.0 2.380 2.380 1.628 -0.000 0.000 0.000 3/28800 410.0 2.324 2.324 1.590 -0.000 0.000 0.000 3/28800 420.0 2.270 2.270 1.553 -0.000 0.000 0.000 3/28800 430.0 2.219 2.219 1.519 -0.000 0.000 0.000 3/28800 440.0 2.170 2.170 1.485 -0.000 0.000 0.000 3/28800 450.0 2.123 2.123 1.454 -0.000 0.000 0.000 3/28800 460.0 2.078 2.078 1.423 -0.000 0.000 0.000 3/28800 470.0 2.035 2.035 1.394 -0.000 0.000 0.000 3/28800 480.0 1.994 1.994 1.366 -0.000 0.000 0.000 3/28800 490.0 1.954 1.954 1.339 -0.000 0.000 0.000 3/28800 500.0 1.916 1.916 1.313 -0.000 0.000 0.000 3/28800 510.0 1.880 1.880 1.288 -0.000 0.000 0.000 3/28800 520.0 1.844 1.844 1.264 -0.000 0.000 0.000 3/28800 530.0 1.810 1.810 1.241 -0.000 0.000 0.000 3/28800 540.0 1.778 1.778 1.219 -0.000 0.000 0.000 3/28800 550.0 1.746 1.746 1.197 -0.000 0.000 0.000 3/28800 560.0 1.716 1.716 1.177 -0.000 0.000 0.000 3/28800 570.0 1.686 1.686 1.157 -0.000 0.000 0.000 3/28800 580.0 1.658 1.658 1.137 -0.000 0.000 0.000 3/28800 590.0 1.630 1.630 1.118 -0.000 0.000 0.000 3/28800 600.0 1.604 1.604 1.100 -0.000 0.000 0.000 3/28800 610.0 1.578 1.578 1.083 -0.000 0.000 0.000 3/28800 620.0 1.553 1.553 1.066 -0.000 0.000 0.000 3/28800 630.0 1.529 1.529 1.049 -0.000 0.000 0.000 3/28800 640.0 1.505 1.505 1.033 -0.000 0.000 0.000 3/28800 650.0 1.483 1.483 1.018 -0.000 0.000 0.000 3/28800 660.0 1.460 1.460 1.003 -0.000 0.000 0.000 3/28800 670.0 1.439 1.439 0.988 -0.000 0.000 0.000 3/28800 680.0 1.418 1.418 0.974 -0.000 0.000 0.000 3/28800 690.0 1.398 1.398 0.960 -0.000 0.000 0.000 3/28800 700.0 1.378 1.378 0.947 -0.000 0.000 0.000 3/28800 710.0 1.359 1.359 0.934 -0.000 0.000 0.000 3/28800 720.0 1.341 1.341 0.921 -0.000 0.000 0.000 3/28800 730.0 1.323 1.323 0.909 -0.000 0.000 0.000 3/28800 740.0 1.305 1.305 0.897 -0.000 0.000 0.000 3/28800 750.0 1.288 1.288 0.885 -0.000 0.000 0.000 3/28800 760.0 1.271 1.271 0.874 -0.000 0.000 0.000 3/28800 770.0 1.255 1.255 0.862 -0.000 0.000 0.000 3/28800 780.0 1.239 1.239 0.852 -0.000 0.000 0.000 3/28800 790.0 1.224 1.224 0.841 -0.000 0.000 0.000 3/28800 800.0 1.209 1.209 0.831 -0.000 0.000 0.000 3/28800 810.0 1.194 1.194 0.821 -0.000 0.000 0.000 3/28800 820.0 1.180 1.180 0.811 -0.000 0.000 0.000 3/28800 830.0 1.166 1.166 0.801 -0.000 0.000 0.000 3/28800 840.0 1.152 1.152 0.792 -0.000 0.000 0.000 3/28800 850.0 1.138 1.138 0.783 -0.000 0.000 0.000 3/28800 860.0 1.125 1.125 0.774 -0.000 0.000 0.000 3/28800 870.0 1.113 1.113 0.765 -0.000 0.000 0.000 3/28800 880.0 1.100 1.100 0.756 -0.000 0.000 0.000 3/28800 890.0 1.088 1.088 0.748 -0.000 0.000 0.000 3/28800 900.0 1.076 1.076 0.740 -0.000 0.000 0.000 3/28800 910.0 1.064 1.064 0.732 -0.000 0.000 0.000 3/28800 920.0 1.053 1.053 0.724 -0.000 0.000 0.000 3/28800 930.0 1.042 1.042 0.716 -0.000 0.000 0.000 3/28800 940.0 1.031 1.031 0.709 -0.000 0.000 0.000 3/28800 950.0 1.020 1.020 0.702 -0.000 0.000 0.000 3/28800 960.0 1.009 1.009 0.694 -0.000 0.000 0.000 3/28800 970.0 0.999 0.999 0.687 -0.000 0.000 0.000 3/28800 980.0 0.989 0.989 0.680 -0.000 0.000 0.000 3/28800 990.0 0.979 0.979 0.674 -0.000 0.000 0.000 3/28800 1000.0 0.969 0.969 0.667 -0.000 0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m21040.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:47:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|