----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:24:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.775024135136888 1.024810662239362 9.608088709999990 b -1.775024135136884 1.024810662239362 9.608088709999990 c 0.000000000000002 -2.049621324478728 9.608088709999990 Atomic positions (fractional): *1 Hf 0.87815796727444 0.87815796727444 0.87815796727444 178.490 2 Hf 0.12184203272556 0.12184203272556 0.12184203272556 178.490 *3 Cl 0.60674841093470 0.60674841093470 0.60674841093470 35.453 4 Cl 0.39325158906530 0.39325158906530 0.39325158906530 35.453 *5 N 0.80381465705743 0.80381465705743 0.80381465705743 14.007 6 N 0.19618534294257 0.19618534294257 0.19618534294257 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.550048270273772 0.000000000000000 0.000000000000000 b -1.775024135136886 3.074431986718091 0.000000000000000 c 0.000000000000000 0.000000000000000 28.824266130000002 Atomic positions (fractional): *1 Hf 0.66666666666667 0.33333333333333 0.21149130060778 178.490 > 1 2 Hf 0.00000000000000 0.00000000000000 0.12184203272556 178.490 > 2 3 Hf 0.33333333333333 0.66666666666667 0.54482463394111 178.490 > 1 4 Hf 0.66666666666667 0.33333333333333 0.45517536605889 178.490 > 2 5 Hf 0.00000000000000 0.00000000000000 0.87815796727444 178.490 > 1 6 Hf 0.33333333333333 0.66666666666667 0.78850869939222 178.490 > 2 *7 Cl 0.33333333333333 0.66666666666667 0.27341507760136 35.453 > 3 8 Cl 0.33333333333333 0.66666666666667 0.05991825573197 35.453 > 4 9 Cl 0.00000000000000 0.00000000000000 0.60674841093470 35.453 > 3 10 Cl 0.00000000000000 0.00000000000000 0.39325158906530 35.453 > 4 11 Cl 0.66666666666667 0.33333333333333 0.94008174426803 35.453 > 3 12 Cl 0.66666666666667 0.33333333333333 0.72658492239864 35.453 > 4 *13 N 0.66666666666667 0.33333333333333 0.13714799039076 14.007 > 5 14 N 0.00000000000000 0.00000000000000 0.19618534294257 14.007 > 6 15 N 0.33333333333333 0.66666666666667 0.47048132372409 14.007 > 5 16 N 0.66666666666667 0.33333333333333 0.52951867627591 14.007 > 6 17 N 0.00000000000000 0.00000000000000 0.80381465705743 14.007 > 5 18 N 0.33333333333333 0.66666666666667 0.86285200960924 14.007 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.100096540547544 0.000000000000000 0.000000000000000 b -3.550048270273772 6.148863973436182 0.000000000000000 c 0.000000000000000 0.000000000000000 28.824266130000002 Atomic positions (fractional): *1 Hf 0.33333333333333 0.16666666666667 0.21149130060778 178.490 > 1 2 Hf 0.83333333333333 0.16666666666667 0.21149130060778 178.490 > 1 3 Hf 0.33333333333333 0.66666666666667 0.21149130060778 178.490 > 1 4 Hf 0.83333333333333 0.66666666666667 0.21149130060778 178.490 > 1 5 Hf 0.00000000000000 0.00000000000000 0.12184203272556 178.490 > 2 6 Hf 0.50000000000000 0.00000000000000 0.12184203272556 178.490 > 2 7 Hf 0.00000000000000 0.50000000000000 0.12184203272556 178.490 > 2 8 Hf 0.50000000000000 0.50000000000000 0.12184203272556 178.490 > 2 9 Hf 0.16666666666667 0.33333333333333 0.54482463394111 178.490 > 1 10 Hf 0.66666666666667 0.33333333333333 0.54482463394111 178.490 > 1 11 Hf 0.16666666666667 0.83333333333333 0.54482463394111 178.490 > 1 12 Hf 0.66666666666667 0.83333333333333 0.54482463394111 178.490 > 1 13 Hf 0.33333333333333 0.16666666666667 0.45517536605889 178.490 > 2 14 Hf 0.83333333333333 0.16666666666667 0.45517536605889 178.490 > 2 15 Hf 0.33333333333333 0.66666666666667 0.45517536605889 178.490 > 2 16 Hf 0.83333333333333 0.66666666666667 0.45517536605889 178.490 > 2 17 Hf 0.00000000000000 0.00000000000000 0.87815796727444 178.490 > 1 18 Hf 0.50000000000000 0.00000000000000 0.87815796727444 178.490 > 1 19 Hf 0.00000000000000 0.50000000000000 0.87815796727444 178.490 > 1 20 Hf 0.50000000000000 0.50000000000000 0.87815796727444 178.490 > 1 21 Hf 0.16666666666667 0.33333333333333 0.78850869939222 178.490 > 2 22 Hf 0.66666666666667 0.33333333333333 0.78850869939222 178.490 > 2 23 Hf 0.16666666666667 0.83333333333333 0.78850869939222 178.490 > 2 24 Hf 0.66666666666667 0.83333333333333 0.78850869939222 178.490 > 2 *25 Cl 0.16666666666667 0.33333333333333 0.27341507760136 35.453 > 3 26 Cl 0.66666666666667 0.33333333333333 0.27341507760136 35.453 > 3 27 Cl 0.16666666666667 0.83333333333333 0.27341507760136 35.453 > 3 28 Cl 0.66666666666667 0.83333333333333 0.27341507760136 35.453 > 3 29 Cl 0.16666666666667 0.33333333333333 0.05991825573197 35.453 > 4 30 Cl 0.66666666666667 0.33333333333333 0.05991825573197 35.453 > 4 31 Cl 0.16666666666667 0.83333333333333 0.05991825573197 35.453 > 4 32 Cl 0.66666666666667 0.83333333333333 0.05991825573197 35.453 > 4 33 Cl 0.00000000000000 0.00000000000000 0.60674841093470 35.453 > 3 34 Cl 0.50000000000000 0.00000000000000 0.60674841093470 35.453 > 3 35 Cl 0.00000000000000 0.50000000000000 0.60674841093470 35.453 > 3 36 Cl 0.50000000000000 0.50000000000000 0.60674841093470 35.453 > 3 37 Cl 0.00000000000000 0.00000000000000 0.39325158906530 35.453 > 4 38 Cl 0.50000000000000 0.00000000000000 0.39325158906530 35.453 > 4 39 Cl 0.00000000000000 0.50000000000000 0.39325158906530 35.453 > 4 40 Cl 0.50000000000000 0.50000000000000 0.39325158906530 35.453 > 4 41 Cl 0.33333333333333 0.16666666666667 0.94008174426803 35.453 > 3 42 Cl 0.83333333333333 0.16666666666667 0.94008174426803 35.453 > 3 43 Cl 0.33333333333333 0.66666666666667 0.94008174426803 35.453 > 3 44 Cl 0.83333333333333 0.66666666666667 0.94008174426803 35.453 > 3 45 Cl 0.33333333333333 0.16666666666667 0.72658492239864 35.453 > 4 46 Cl 0.83333333333333 0.16666666666667 0.72658492239864 35.453 > 4 47 Cl 0.33333333333333 0.66666666666667 0.72658492239864 35.453 > 4 48 Cl 0.83333333333333 0.66666666666667 0.72658492239864 35.453 > 4 *49 N 0.33333333333333 0.16666666666667 0.13714799039076 14.007 > 5 50 N 0.83333333333333 0.16666666666667 0.13714799039076 14.007 > 5 51 N 0.33333333333333 0.66666666666667 0.13714799039076 14.007 > 5 52 N 0.83333333333333 0.66666666666667 0.13714799039076 14.007 > 5 53 N 0.00000000000000 0.00000000000000 0.19618534294257 14.007 > 6 54 N 0.50000000000000 0.00000000000000 0.19618534294257 14.007 > 6 55 N 0.00000000000000 0.50000000000000 0.19618534294257 14.007 > 6 56 N 0.50000000000000 0.50000000000000 0.19618534294257 14.007 > 6 57 N 0.16666666666667 0.33333333333333 0.47048132372409 14.007 > 5 58 N 0.66666666666667 0.33333333333333 0.47048132372409 14.007 > 5 59 N 0.16666666666667 0.83333333333333 0.47048132372409 14.007 > 5 60 N 0.66666666666667 0.83333333333333 0.47048132372409 14.007 > 5 61 N 0.33333333333333 0.16666666666667 0.52951867627591 14.007 > 6 62 N 0.83333333333333 0.16666666666667 0.52951867627591 14.007 > 6 63 N 0.33333333333333 0.66666666666667 0.52951867627591 14.007 > 6 64 N 0.83333333333333 0.66666666666667 0.52951867627591 14.007 > 6 65 N 0.00000000000000 0.00000000000000 0.80381465705743 14.007 > 5 66 N 0.50000000000000 0.00000000000000 0.80381465705743 14.007 > 5 67 N 0.00000000000000 0.50000000000000 0.80381465705743 14.007 > 5 68 N 0.50000000000000 0.50000000000000 0.80381465705743 14.007 > 5 69 N 0.16666666666667 0.33333333333333 0.86285200960924 14.007 > 6 70 N 0.66666666666667 0.33333333333333 0.86285200960924 14.007 > 6 71 N 0.16666666666667 0.83333333333333 0.86285200960924 14.007 > 6 72 N 0.66666666666667 0.83333333333333 0.86285200960924 14.007 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5700162 -0.0000000 0.0000000 0.0000000 5.5700162 0.0000000 0.0000000 0.0000000 3.6551702 -------------------------- Born effective charges -------------------------- 1 Hf 4.9585207 -0.0000000 0.0000000 -0.0000000 4.9585207 0.0000000 0.0000000 0.0000000 2.2480603 2 Hf 4.9585207 -0.0000000 0.0000000 -0.0000000 4.9585207 0.0000000 0.0000000 0.0000000 2.2480603 3 Cl -1.2822114 -0.0000000 0.0000000 0.0000000 -1.2822114 0.0000000 0.0000000 0.0000000 -0.8092717 4 Cl -1.2822114 -0.0000000 0.0000000 0.0000000 -1.2822114 0.0000000 0.0000000 0.0000000 -0.8092717 5 N -3.6763093 0.0000000 0.0000000 -0.0000000 -3.6763093 0.0000000 0.0000000 0.0000000 -1.4387886 6 N -3.6763093 0.0000000 0.0000000 -0.0000000 -3.6763093 0.0000000 0.0000000 0.0000000 -1.4387886 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.106 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.117 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:24:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:24:07]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.775024135136888 1.024810662239362 9.608088709999990 b -1.775024135136884 1.024810662239362 9.608088709999990 c 0.000000000000002 -2.049621324478728 9.608088709999990 Atomic positions (fractional): 1 Hf 0.87815796727444 0.87815796727444 0.87815796727444 178.490 2 Hf 0.12184203272556 0.12184203272556 0.12184203272556 178.490 3 Cl 0.60674841093470 0.60674841093470 0.60674841093470 35.453 4 Cl 0.39325158906530 0.39325158906530 0.39325158906530 35.453 5 N 0.80381465705743 0.80381465705743 0.80381465705743 14.007 6 N 0.19618534294257 0.19618534294257 0.19618534294257 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.100096540547544 0.000000000000000 0.000000000000000 b -3.550048270273772 6.148863973436182 0.000000000000000 c 0.000000000000000 0.000000000000000 28.824266130000002 Atomic positions (fractional): 1 Hf 0.33333333333333 0.16666666666667 0.21149130060778 178.490 > 1 2 Hf 0.83333333333333 0.16666666666667 0.21149130060778 178.490 > 1 3 Hf 0.33333333333333 0.66666666666667 0.21149130060778 178.490 > 1 4 Hf 0.83333333333333 0.66666666666667 0.21149130060778 178.490 > 1 5 Hf 0.00000000000000 0.00000000000000 0.12184203272556 178.490 > 5 6 Hf 0.50000000000000 0.00000000000000 0.12184203272556 178.490 > 5 7 Hf 0.00000000000000 0.50000000000000 0.12184203272556 178.490 > 5 8 Hf 0.50000000000000 0.50000000000000 0.12184203272556 178.490 > 5 9 Hf 0.16666666666667 0.33333333333333 0.54482463394111 178.490 > 1 10 Hf 0.66666666666667 0.33333333333333 0.54482463394111 178.490 > 1 11 Hf 0.16666666666667 0.83333333333333 0.54482463394111 178.490 > 1 12 Hf 0.66666666666667 0.83333333333333 0.54482463394111 178.490 > 1 13 Hf 0.33333333333333 0.16666666666667 0.45517536605889 178.490 > 5 14 Hf 0.83333333333333 0.16666666666667 0.45517536605889 178.490 > 5 15 Hf 0.33333333333333 0.66666666666667 0.45517536605889 178.490 > 5 16 Hf 0.83333333333333 0.66666666666667 0.45517536605889 178.490 > 5 17 Hf 0.00000000000000 0.00000000000000 0.87815796727444 178.490 > 1 18 Hf 0.50000000000000 0.00000000000000 0.87815796727444 178.490 > 1 19 Hf 0.00000000000000 0.50000000000000 0.87815796727444 178.490 > 1 20 Hf 0.50000000000000 0.50000000000000 0.87815796727444 178.490 > 1 21 Hf 0.16666666666667 0.33333333333333 0.78850869939222 178.490 > 5 22 Hf 0.66666666666667 0.33333333333333 0.78850869939222 178.490 > 5 23 Hf 0.16666666666667 0.83333333333333 0.78850869939222 178.490 > 5 24 Hf 0.66666666666667 0.83333333333333 0.78850869939222 178.490 > 5 25 Cl 0.16666666666667 0.33333333333333 0.27341507760136 35.453 > 25 26 Cl 0.66666666666667 0.33333333333333 0.27341507760136 35.453 > 25 27 Cl 0.16666666666667 0.83333333333333 0.27341507760136 35.453 > 25 28 Cl 0.66666666666667 0.83333333333333 0.27341507760136 35.453 > 25 29 Cl 0.16666666666667 0.33333333333333 0.05991825573197 35.453 > 29 30 Cl 0.66666666666667 0.33333333333333 0.05991825573197 35.453 > 29 31 Cl 0.16666666666667 0.83333333333333 0.05991825573197 35.453 > 29 32 Cl 0.66666666666667 0.83333333333333 0.05991825573197 35.453 > 29 33 Cl 0.00000000000000 0.00000000000000 0.60674841093470 35.453 > 25 34 Cl 0.50000000000000 0.00000000000000 0.60674841093470 35.453 > 25 35 Cl 0.00000000000000 0.50000000000000 0.60674841093470 35.453 > 25 36 Cl 0.50000000000000 0.50000000000000 0.60674841093470 35.453 > 25 37 Cl 0.00000000000000 0.00000000000000 0.39325158906530 35.453 > 29 38 Cl 0.50000000000000 0.00000000000000 0.39325158906530 35.453 > 29 39 Cl 0.00000000000000 0.50000000000000 0.39325158906530 35.453 > 29 40 Cl 0.50000000000000 0.50000000000000 0.39325158906530 35.453 > 29 41 Cl 0.33333333333333 0.16666666666667 0.94008174426803 35.453 > 25 42 Cl 0.83333333333333 0.16666666666667 0.94008174426803 35.453 > 25 43 Cl 0.33333333333333 0.66666666666667 0.94008174426803 35.453 > 25 44 Cl 0.83333333333333 0.66666666666667 0.94008174426803 35.453 > 25 45 Cl 0.33333333333333 0.16666666666667 0.72658492239864 35.453 > 29 46 Cl 0.83333333333333 0.16666666666667 0.72658492239864 35.453 > 29 47 Cl 0.33333333333333 0.66666666666667 0.72658492239864 35.453 > 29 48 Cl 0.83333333333333 0.66666666666667 0.72658492239864 35.453 > 29 49 N 0.33333333333333 0.16666666666667 0.13714799039076 14.007 > 49 50 N 0.83333333333333 0.16666666666667 0.13714799039076 14.007 > 49 51 N 0.33333333333333 0.66666666666667 0.13714799039076 14.007 > 49 52 N 0.83333333333333 0.66666666666667 0.13714799039076 14.007 > 49 53 N 0.00000000000000 0.00000000000000 0.19618534294257 14.007 > 53 54 N 0.50000000000000 0.00000000000000 0.19618534294257 14.007 > 53 55 N 0.00000000000000 0.50000000000000 0.19618534294257 14.007 > 53 56 N 0.50000000000000 0.50000000000000 0.19618534294257 14.007 > 53 57 N 0.16666666666667 0.33333333333333 0.47048132372409 14.007 > 49 58 N 0.66666666666667 0.33333333333333 0.47048132372409 14.007 > 49 59 N 0.16666666666667 0.83333333333333 0.47048132372409 14.007 > 49 60 N 0.66666666666667 0.83333333333333 0.47048132372409 14.007 > 49 61 N 0.33333333333333 0.16666666666667 0.52951867627591 14.007 > 53 62 N 0.83333333333333 0.16666666666667 0.52951867627591 14.007 > 53 63 N 0.33333333333333 0.66666666666667 0.52951867627591 14.007 > 53 64 N 0.83333333333333 0.66666666666667 0.52951867627591 14.007 > 53 65 N 0.00000000000000 0.00000000000000 0.80381465705743 14.007 > 49 66 N 0.50000000000000 0.00000000000000 0.80381465705743 14.007 > 49 67 N 0.00000000000000 0.50000000000000 0.80381465705743 14.007 > 49 68 N 0.50000000000000 0.50000000000000 0.80381465705743 14.007 > 49 69 N 0.16666666666667 0.33333333333333 0.86285200960924 14.007 > 53 70 N 0.66666666666667 0.33333333333333 0.86285200960924 14.007 > 53 71 N 0.16666666666667 0.83333333333333 0.86285200960924 14.007 > 53 72 N 0.66666666666667 0.83333333333333 0.86285200960924 14.007 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5700162 -0.0000000 0.0000000 0.0000000 5.5700162 0.0000000 0.0000000 0.0000000 3.6551702 -------------------------- Born effective charges -------------------------- 1 Hf 4.9585207 -0.0000000 0.0000000 -0.0000000 4.9585207 0.0000000 0.0000000 0.0000000 2.2480603 2 Hf 4.9585207 -0.0000000 0.0000000 -0.0000000 4.9585207 0.0000000 0.0000000 0.0000000 2.2480603 3 Cl -1.2822114 -0.0000000 0.0000000 0.0000000 -1.2822114 0.0000000 0.0000000 0.0000000 -0.8092717 4 Cl -1.2822114 -0.0000000 0.0000000 0.0000000 -1.2822114 0.0000000 0.0000000 0.0000000 -0.8092717 5 N -3.6763093 0.0000000 0.0000000 -0.0000000 -3.6763093 0.0000000 0.0000000 0.0000000 -1.4387886 6 N -3.6763093 0.0000000 0.0000000 -0.0000000 -3.6763093 0.0000000 0.0000000 0.0000000 -1.4387886 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000013 (xxy) -0.00000013 (xxy) -0.00000013 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 10:24:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:24:11]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.775024135136888 1.024810662239362 9.608088709999990 b -1.775024135136884 1.024810662239362 9.608088709999990 c 0.000000000000002 -2.049621324478728 9.608088709999990 Atomic positions (fractional): 1 Hf 0.87815796727444 0.87815796727444 0.87815796727444 178.490 2 Hf 0.12184203272556 0.12184203272556 0.12184203272556 178.490 3 Cl 0.60674841093470 0.60674841093470 0.60674841093470 35.453 4 Cl 0.39325158906530 0.39325158906530 0.39325158906530 35.453 5 N 0.80381465705743 0.80381465705743 0.80381465705743 14.007 6 N 0.19618534294257 0.19618534294257 0.19618534294257 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.100096540547544 0.000000000000000 0.000000000000000 b -3.550048270273772 6.148863973436182 0.000000000000000 c 0.000000000000000 0.000000000000000 28.824266130000002 Atomic positions (fractional): 1 Hf 0.33333333333333 0.16666666666667 0.21149130060778 178.490 > 1 2 Hf 0.83333333333333 0.16666666666667 0.21149130060778 178.490 > 1 3 Hf 0.33333333333333 0.66666666666667 0.21149130060778 178.490 > 1 4 Hf 0.83333333333333 0.66666666666667 0.21149130060778 178.490 > 1 5 Hf 0.00000000000000 0.00000000000000 0.12184203272556 178.490 > 5 6 Hf 0.50000000000000 0.00000000000000 0.12184203272556 178.490 > 5 7 Hf 0.00000000000000 0.50000000000000 0.12184203272556 178.490 > 5 8 Hf 0.50000000000000 0.50000000000000 0.12184203272556 178.490 > 5 9 Hf 0.16666666666667 0.33333333333333 0.54482463394111 178.490 > 1 10 Hf 0.66666666666667 0.33333333333333 0.54482463394111 178.490 > 1 11 Hf 0.16666666666667 0.83333333333333 0.54482463394111 178.490 > 1 12 Hf 0.66666666666667 0.83333333333333 0.54482463394111 178.490 > 1 13 Hf 0.33333333333333 0.16666666666667 0.45517536605889 178.490 > 5 14 Hf 0.83333333333333 0.16666666666667 0.45517536605889 178.490 > 5 15 Hf 0.33333333333333 0.66666666666667 0.45517536605889 178.490 > 5 16 Hf 0.83333333333333 0.66666666666667 0.45517536605889 178.490 > 5 17 Hf 0.00000000000000 0.00000000000000 0.87815796727444 178.490 > 1 18 Hf 0.50000000000000 0.00000000000000 0.87815796727444 178.490 > 1 19 Hf 0.00000000000000 0.50000000000000 0.87815796727444 178.490 > 1 20 Hf 0.50000000000000 0.50000000000000 0.87815796727444 178.490 > 1 21 Hf 0.16666666666667 0.33333333333333 0.78850869939222 178.490 > 5 22 Hf 0.66666666666667 0.33333333333333 0.78850869939222 178.490 > 5 23 Hf 0.16666666666667 0.83333333333333 0.78850869939222 178.490 > 5 24 Hf 0.66666666666667 0.83333333333333 0.78850869939222 178.490 > 5 25 Cl 0.16666666666667 0.33333333333333 0.27341507760136 35.453 > 25 26 Cl 0.66666666666667 0.33333333333333 0.27341507760136 35.453 > 25 27 Cl 0.16666666666667 0.83333333333333 0.27341507760136 35.453 > 25 28 Cl 0.66666666666667 0.83333333333333 0.27341507760136 35.453 > 25 29 Cl 0.16666666666667 0.33333333333333 0.05991825573197 35.453 > 29 30 Cl 0.66666666666667 0.33333333333333 0.05991825573197 35.453 > 29 31 Cl 0.16666666666667 0.83333333333333 0.05991825573197 35.453 > 29 32 Cl 0.66666666666667 0.83333333333333 0.05991825573197 35.453 > 29 33 Cl 0.00000000000000 0.00000000000000 0.60674841093470 35.453 > 25 34 Cl 0.50000000000000 0.00000000000000 0.60674841093470 35.453 > 25 35 Cl 0.00000000000000 0.50000000000000 0.60674841093470 35.453 > 25 36 Cl 0.50000000000000 0.50000000000000 0.60674841093470 35.453 > 25 37 Cl 0.00000000000000 0.00000000000000 0.39325158906530 35.453 > 29 38 Cl 0.50000000000000 0.00000000000000 0.39325158906530 35.453 > 29 39 Cl 0.00000000000000 0.50000000000000 0.39325158906530 35.453 > 29 40 Cl 0.50000000000000 0.50000000000000 0.39325158906530 35.453 > 29 41 Cl 0.33333333333333 0.16666666666667 0.94008174426803 35.453 > 25 42 Cl 0.83333333333333 0.16666666666667 0.94008174426803 35.453 > 25 43 Cl 0.33333333333333 0.66666666666667 0.94008174426803 35.453 > 25 44 Cl 0.83333333333333 0.66666666666667 0.94008174426803 35.453 > 25 45 Cl 0.33333333333333 0.16666666666667 0.72658492239864 35.453 > 29 46 Cl 0.83333333333333 0.16666666666667 0.72658492239864 35.453 > 29 47 Cl 0.33333333333333 0.66666666666667 0.72658492239864 35.453 > 29 48 Cl 0.83333333333333 0.66666666666667 0.72658492239864 35.453 > 29 49 N 0.33333333333333 0.16666666666667 0.13714799039076 14.007 > 49 50 N 0.83333333333333 0.16666666666667 0.13714799039076 14.007 > 49 51 N 0.33333333333333 0.66666666666667 0.13714799039076 14.007 > 49 52 N 0.83333333333333 0.66666666666667 0.13714799039076 14.007 > 49 53 N 0.00000000000000 0.00000000000000 0.19618534294257 14.007 > 53 54 N 0.50000000000000 0.00000000000000 0.19618534294257 14.007 > 53 55 N 0.00000000000000 0.50000000000000 0.19618534294257 14.007 > 53 56 N 0.50000000000000 0.50000000000000 0.19618534294257 14.007 > 53 57 N 0.16666666666667 0.33333333333333 0.47048132372409 14.007 > 49 58 N 0.66666666666667 0.33333333333333 0.47048132372409 14.007 > 49 59 N 0.16666666666667 0.83333333333333 0.47048132372409 14.007 > 49 60 N 0.66666666666667 0.83333333333333 0.47048132372409 14.007 > 49 61 N 0.33333333333333 0.16666666666667 0.52951867627591 14.007 > 53 62 N 0.83333333333333 0.16666666666667 0.52951867627591 14.007 > 53 63 N 0.33333333333333 0.66666666666667 0.52951867627591 14.007 > 53 64 N 0.83333333333333 0.66666666666667 0.52951867627591 14.007 > 53 65 N 0.00000000000000 0.00000000000000 0.80381465705743 14.007 > 49 66 N 0.50000000000000 0.00000000000000 0.80381465705743 14.007 > 49 67 N 0.00000000000000 0.50000000000000 0.80381465705743 14.007 > 49 68 N 0.50000000000000 0.50000000000000 0.80381465705743 14.007 > 49 69 N 0.16666666666667 0.33333333333333 0.86285200960924 14.007 > 53 70 N 0.66666666666667 0.33333333333333 0.86285200960924 14.007 > 53 71 N 0.16666666666667 0.83333333333333 0.86285200960924 14.007 > 53 72 N 0.66666666666667 0.83333333333333 0.86285200960924 14.007 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5700162 -0.0000000 0.0000000 0.0000000 5.5700162 0.0000000 0.0000000 0.0000000 3.6551702 -------------------------- Born effective charges -------------------------- 1 Hf 4.9585207 -0.0000000 0.0000000 -0.0000000 4.9585207 0.0000000 0.0000000 0.0000000 2.2480603 2 Hf 4.9585207 -0.0000000 0.0000000 -0.0000000 4.9585207 0.0000000 0.0000000 0.0000000 2.2480603 3 Cl -1.2822114 -0.0000000 0.0000000 0.0000000 -1.2822114 0.0000000 0.0000000 0.0000000 -0.8092717 4 Cl -1.2822114 -0.0000000 0.0000000 0.0000000 -1.2822114 0.0000000 0.0000000 0.0000000 -0.8092717 5 N -3.6763093 0.0000000 0.0000000 -0.0000000 -3.6763093 0.0000000 0.0000000 0.0000000 -1.4387886 6 N -3.6763093 0.0000000 0.0000000 -0.0000000 -3.6763093 0.0000000 0.0000000 0.0000000 -1.4387886 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000013 (xxy) -0.00000013 (xxy) -0.00000013 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] 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: 0.88, Number of G-points: 311, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 417 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 3.193 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 16.634 ( 0.000 0.000 0.000) 0.000 16.634 ( 0.000 0.000 0.000) 0.000 18.237 ( 0.000 0.000 0.000) 0.000 18.631 ( 0.000 0.000 0.000) 0.000 19.083 ( 0.000 0.000 0.000) 0.000 19.083 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 18.794 10.851 1.188) 21.734 0.582 ( 24.349 14.058 0.661) 28.123 1.007 ( 42.384 24.471 -0.201) 48.941 3.243 ( 4.252 2.455 -0.165) 4.912 3.392 ( 15.600 9.007 -0.305) 18.016 4.487 ( 1.051 0.607 0.355) 1.264 4.577 ( 0.888 0.513 -0.312) 1.072 4.689 ( 4.343 2.507 -0.839) 5.084 4.704 ( 6.623 3.824 1.079) 7.723 5.427 ( 4.919 2.840 -4.100) 7.005 7.475 ( -2.874 -1.659 3.301) 4.681 8.225 ( -7.817 -4.513 -0.566) 9.044 16.552 ( -6.857 -3.959 -0.078) 7.918 17.946 ( -25.861 -14.931 -16.105) 33.928 18.038 ( -25.456 -14.697 12.872) 32.089 19.080 ( -0.258 -0.149 0.069) 0.306 19.686 ( 29.652 17.119 5.313) 34.649 21.290 ( 23.445 13.536 -22.349) 35.105 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 24.555 14.177 0.938) 28.369 1.138 ( 22.740 13.129 0.639) 26.266 1.971 ( 39.309 22.695 0.112) 45.390 3.386 ( 7.768 4.485 -0.286) 8.974 3.840 ( 21.093 12.178 -0.659) 24.365 4.524 ( 2.014 1.163 0.573) 2.395 4.603 ( 1.353 0.781 -0.498) 1.639 4.722 ( 2.456 1.418 -0.471) 2.875 5.030 ( 16.634 9.604 0.858) 19.226 5.567 ( 7.201 4.157 -1.639) 8.475 7.389 ( -4.912 -2.836 2.561) 6.223 7.979 ( -12.381 -7.148 -0.965) 14.329 16.319 ( -12.788 -7.383 -0.112) 14.766 17.211 ( -31.008 -17.902 -1.206) 35.825 17.515 ( -22.555 -13.022 -0.173) 26.045 19.072 ( -0.489 -0.282 0.098) 0.573 20.306 ( 21.397 12.353 6.146) 25.460 21.832 ( 23.104 13.339 -12.935) 29.649 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 25.634 14.800 0.711) 29.608 1.645 ( 20.246 11.689 0.600) 23.386 2.823 ( 32.443 18.731 0.268) 37.463 3.596 ( 9.903 5.717 -0.344) 11.440 4.327 ( 19.795 11.428 -0.606) 22.865 4.582 ( 2.732 1.578 0.656) 3.222 4.634 ( 1.293 0.746 -0.563) 1.595 4.822 ( 6.406 3.699 -0.567) 7.419 5.446 ( 17.884 10.325 1.275) 20.690 5.747 ( 8.404 4.852 -1.622) 9.839 7.261 ( -6.279 -3.625 2.053) 7.535 7.666 ( -13.669 -7.892 -0.752) 15.802 15.965 ( -16.967 -9.796 -0.085) 19.592 16.512 ( -28.429 -16.413 0.315) 32.828 16.991 ( -21.664 -12.508 -1.203) 25.045 19.058 ( -0.645 -0.372 0.071) 0.748 20.710 ( 12.331 7.119 3.584) 14.683 22.238 ( 12.463 7.196 -6.190) 15.666 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 24.280 14.018 0.527) 28.041 2.086 ( 17.087 9.865 0.540) 19.738 3.461 ( 21.352 12.328 0.186) 24.656 3.836 ( 10.274 5.931 -0.341) 11.868 4.652 ( 3.015 1.740 0.623) 3.536 4.659 ( 0.958 0.553 -0.531) 1.227 4.749 ( 16.044 9.263 -0.152) 18.526 5.027 ( 10.945 6.319 -0.546) 12.650 5.827 ( 12.601 7.275 2.200) 14.715 5.977 ( 12.768 7.372 -2.792) 15.005 7.107 ( -7.080 -4.088 0.505) 8.191 7.355 ( -12.235 -7.064 0.626) 14.142 15.541 ( -18.743 -10.821 -0.012) 21.643 15.876 ( -25.767 -14.876 0.181) 29.753 16.503 ( -19.535 -11.278 -0.746) 22.569 19.043 ( -0.682 -0.394 0.005) 0.788 20.916 ( 5.152 2.974 1.447) 6.122 22.390 ( 1.720 0.993 -2.315) 3.051 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 13.425 7.751 0.452) 15.508 2.603 ( 21.558 12.447 0.352) 24.896 3.827 ( 10.422 6.017 0.041) 12.034 4.063 ( 8.896 5.136 -0.275) 10.276 4.674 ( 0.502 0.290 -0.576) 0.817 4.725 ( 2.966 1.712 0.641) 3.484 5.074 ( 11.595 6.694 0.029) 13.388 5.300 ( 11.264 6.503 -0.105) 13.007 6.057 ( 8.192 4.729 0.492) 9.472 6.306 ( 13.713 7.917 -1.100) 15.872 6.928 ( -7.858 -4.537 -2.282) 9.357 7.127 ( -6.949 -4.012 2.926) 8.541 15.107 ( -17.718 -10.230 0.064) 20.460 15.307 ( -22.613 -13.056 -0.040) 26.112 16.083 ( -15.894 -9.176 -0.294) 18.355 19.027 ( -0.594 -0.343 -0.061) 0.689 20.979 ( 0.602 0.348 0.350) 0.778 22.341 ( -4.807 -2.775 -0.608) 5.584 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 9.315 5.378 0.331) 10.761 3.066 ( 17.623 10.175 0.179) 20.350 3.982 ( 3.280 1.894 0.014) 3.788 4.242 ( 6.196 3.578 -0.153) 7.157 4.682 ( 0.326 0.188 -0.540) 0.659 4.791 ( 2.405 1.389 0.540) 2.829 5.297 ( 7.595 4.385 0.090) 8.770 5.507 ( 5.949 3.435 0.033) 6.870 6.221 ( 5.227 3.018 0.040) 6.036 6.544 ( 4.286 2.474 0.438) 4.968 6.790 ( -0.431 -0.249 -3.195) 3.234 7.043 ( -1.043 -0.602 2.605) 2.870 14.731 ( -13.859 -8.001 0.101) 16.003 14.829 ( -17.636 -10.182 -0.115) 20.365 15.765 ( -10.957 -6.326 -0.066) 12.653 19.015 ( -0.419 -0.242 -0.089) 0.492 20.966 ( -1.333 -0.770 -0.051) 1.540 22.199 ( -6.500 -3.753 -0.021) 7.505 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 4.794 2.768 0.177) 5.538 3.416 ( 11.625 6.711 0.041) 13.423 4.003 ( -0.955 -0.552 0.042) 1.104 4.349 ( 2.981 1.721 -0.035) 3.442 4.688 ( 0.275 0.159 -0.367) 0.485 4.837 ( 1.377 0.795 0.321) 1.622 5.434 ( 4.050 2.338 0.184) 4.680 5.588 ( 1.450 0.837 -0.151) 1.681 6.289 ( 0.890 0.514 0.081) 1.031 6.522 ( -2.499 -1.443 0.048) 2.886 6.896 ( 6.024 3.478 -1.588) 7.134 7.057 ( 0.990 0.572 1.433) 1.833 14.476 ( -7.620 -4.400 0.074) 8.799 14.500 ( -9.884 -5.707 -0.081) 11.414 15.572 ( -5.494 -3.172 0.002) 6.344 19.008 ( -0.211 -0.122 -0.063) 0.252 20.933 ( -1.218 -0.703 -0.098) 1.410 22.066 ( -4.325 -2.497 0.079) 4.995 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 -0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.070 ( 0.000 0.000 0.000) 0.000 14.382 ( 0.000 0.000 0.000) 0.000 14.385 ( 0.000 0.000 0.000) 0.000 15.507 ( 0.000 0.000 -0.000) 0.000 19.005 ( 0.000 0.000 -0.000) 0.000 20.918 ( 0.000 0.000 0.000) 0.000 22.013 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -0.000 21.525 0.862) 21.542 0.579 ( -0.000 28.106 -0.293) 28.107 1.009 ( -0.000 48.838 0.417) 48.840 3.244 ( -0.000 4.948 0.070) 4.949 3.394 ( -0.000 18.149 0.183) 18.150 4.485 ( 0.000 1.130 -0.168) 1.143 4.579 ( -0.000 1.099 0.155) 1.110 4.694 ( -0.000 4.980 0.693) 5.028 4.696 ( 0.000 7.692 -1.188) 7.783 5.407 ( 0.000 6.941 -9.841) 12.043 7.482 ( -0.000 -4.178 5.444) 6.863 8.223 ( 0.000 -9.021 -1.101) 9.088 16.553 ( 0.000 -7.893 0.086) 7.894 17.941 ( 0.000 -24.385 -17.029) 29.742 18.039 ( -0.000 -35.097 12.606) 37.292 19.080 ( 0.000 -0.319 -0.075) 0.327 19.633 ( 0.000 35.536 -10.895) 37.169 21.281 ( 0.000 32.459 -23.845) 40.276 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 13.579 22.849 1.006) 26.599 1.083 ( 15.640 26.591 0.286) 30.851 1.684 ( 22.169 38.459 0.058) 44.391 3.370 ( 4.696 8.376 -0.196) 9.605 3.682 ( 10.807 19.359 0.113) 22.171 4.521 ( 1.688 2.431 0.212) 2.967 4.602 ( 0.950 2.117 -0.155) 2.325 4.710 ( 0.889 1.736 -0.523) 2.019 4.918 ( 8.729 14.590 0.683) 17.016 5.508 ( 4.476 6.799 -4.781) 9.440 7.422 ( -2.526 -4.899 3.693) 6.634 8.051 ( -6.641 -11.505 -1.550) 13.374 16.408 ( -5.949 -10.160 0.025) 11.774 17.414 ( -19.092 -31.027 -1.943) 36.482 17.638 ( -12.071 -23.555 -1.716) 26.523 19.034 ( -0.968 -1.892 -0.078) 2.127 20.187 ( 18.208 25.036 1.220) 30.981 21.665 ( 11.430 26.853 -14.865) 32.752 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 21.287 20.520 0.882) 29.580 1.604 ( 12.153 27.279 0.462) 29.867 2.477 ( 28.882 25.703 0.104) 38.663 3.561 ( 5.471 11.631 -0.344) 12.858 4.111 ( 16.621 14.162 0.042) 21.836 4.592 ( 1.936 5.288 0.506) 5.654 4.647 ( 0.600 3.701 -0.433) 3.774 4.773 ( 3.547 4.028 -0.661) 5.407 5.270 ( 14.248 12.967 1.171) 19.301 5.665 ( 6.418 6.237 -2.565) 9.310 7.314 ( -4.412 -5.599 2.961) 7.719 7.775 ( -10.138 -11.788 -1.555) 15.625 16.138 ( -12.699 -10.462 -0.023) 16.454 16.749 ( -22.074 -25.875 0.277) 34.012 17.155 ( -16.112 -20.374 -2.478) 26.093 19.014 ( 1.558 -3.546 0.035) 3.874 20.660 ( 10.182 16.992 3.864) 20.182 22.075 ( 12.740 13.211 -8.733) 20.325 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 22.199 18.690 0.659) 29.026 2.064 ( 9.315 25.577 0.464) 27.224 3.170 ( 25.223 14.674 0.124) 29.181 3.793 ( 6.502 13.077 -0.383) 14.609 4.493 ( 13.562 5.079 0.461) 14.489 4.688 ( -0.668 4.812 -0.466) 4.881 4.719 ( 4.241 10.997 0.421) 11.793 4.927 ( 7.801 7.009 -0.685) 10.510 5.659 ( 15.481 9.584 1.747) 18.292 5.848 ( 8.458 5.891 -2.615) 10.634 7.170 ( -5.685 -6.037 1.851) 8.497 7.470 ( -10.739 -10.646 -0.685) 15.137 15.749 ( -17.863 -12.925 -0.009) 22.048 16.140 ( -21.658 -17.695 0.276) 27.969 16.665 ( -16.183 -18.496 -1.484) 24.621 19.012 ( 1.908 -2.952 0.011) 3.515 20.915 ( 3.031 9.775 2.197) 10.467 22.304 ( 6.587 0.737 -3.751) 7.616 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 19.772 17.344 0.474) 26.306 2.452 ( 7.405 21.967 0.385) 23.185 3.638 ( 16.368 5.603 0.017) 17.300 4.041 ( 5.888 13.495 -0.354) 14.728 4.676 ( 5.295 1.858 0.677) 5.652 4.715 ( -1.674 5.011 -0.491) 5.306 4.972 ( 9.202 10.723 0.457) 14.137 5.175 ( 10.789 8.114 -0.419) 13.506 5.953 ( 9.132 4.818 1.183) 10.393 6.117 ( 14.988 6.815 -2.037) 16.590 7.000 ( -6.810 -6.294 -0.536) 9.288 7.203 ( -8.033 -8.180 1.423) 11.553 15.274 ( -17.554 -17.026 0.012) 24.455 15.619 ( -23.268 -8.178 0.046) 24.663 16.221 ( -13.737 -15.572 -0.633) 20.775 19.021 ( 1.262 -0.853 -0.041) 1.524 20.996 ( -1.015 3.196 0.760) 3.439 22.320 ( 0.409 -7.234 -1.193) 7.343 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 3.039 20.437 0.355) 20.665 2.865 ( 18.075 12.862 0.214) 22.185 3.884 ( 8.599 0.910 -0.028) 8.647 4.256 ( 3.186 12.697 -0.268) 13.093 4.725 ( -2.361 4.761 -0.473) 5.336 4.772 ( 2.640 2.859 0.627) 3.941 5.212 ( 7.841 6.359 0.387) 10.103 5.420 ( 8.343 4.976 -0.093) 9.715 6.139 ( 7.430 3.150 0.134) 8.071 6.424 ( 12.310 3.765 -0.398) 12.879 6.817 ( -5.595 -4.785 -2.463) 7.763 7.047 ( -2.396 -5.218 2.576) 6.293 14.826 ( -13.136 -16.467 -0.006) 21.064 15.144 ( -23.415 -3.987 -0.021) 23.752 15.876 ( -10.438 -10.048 -0.180) 14.489 19.038 ( -0.050 2.103 -0.073) 2.105 20.970 ( -1.957 -2.240 0.115) 2.977 22.200 ( -2.425 -10.771 -0.220) 11.043 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -0.803 17.008 0.213) 17.028 3.263 ( 13.958 8.931 0.061) 16.571 3.982 ( 2.768 -0.542 0.017) 2.820 4.404 ( -0.365 11.559 -0.122) 11.565 4.726 ( -2.438 4.147 -0.454) 4.832 4.836 ( 1.123 2.866 0.516) 3.121 5.378 ( 5.389 3.223 0.370) 6.290 5.552 ( 3.518 0.975 -0.159) 3.654 6.259 ( 3.499 0.769 0.049) 3.583 6.534 ( -0.599 -2.692 0.359) 2.782 6.798 ( 6.548 1.373 -2.392) 7.105 7.012 ( 2.299 -3.625 1.895) 4.693 14.501 ( -6.912 -11.811 -0.026) 13.685 14.736 ( -18.554 -2.347 0.014) 18.702 15.650 ( -7.182 -3.921 -0.025) 8.183 19.059 ( -1.783 5.018 -0.064) 5.325 20.903 ( -0.327 -5.934 -0.032) 5.943 22.048 ( -1.530 -10.940 0.017) 11.047 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -5.000 13.929 0.057) 14.799 3.512 ( 6.691 2.422 -0.022) 7.116 3.990 ( -0.817 0.318 0.035) 0.878 4.477 ( -3.974 10.357 -0.002) 11.093 4.724 ( -1.920 3.359 -0.273) 3.879 4.870 ( -0.395 2.291 0.271) 2.340 5.467 ( 2.259 0.726 0.252) 2.386 5.586 ( 1.032 -0.926 -0.129) 1.392 6.289 ( 0.505 -0.415 -0.043) 0.655 6.485 ( -0.582 -2.051 0.106) 2.135 6.925 ( 5.286 -0.258 -1.235) 5.434 7.026 ( 2.586 -4.268 1.138) 5.118 14.352 ( -0.058 -5.715 -0.022) 5.715 14.474 ( -9.090 0.576 0.036) 9.109 15.540 ( -3.511 0.753 -0.006) 3.590 19.073 ( -3.394 6.702 -0.019) 7.512 20.854 ( 2.585 -7.212 0.047) 7.662 21.947 ( 2.110 -9.022 -0.029) 9.265 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -9.606 11.276 -0.105) 14.814 3.512 ( -5.447 -4.579 -0.015) 7.116 3.990 ( 0.120 0.859 -0.034) 0.868 4.477 ( -6.973 8.626 0.013) 11.092 4.726 ( -1.833 3.399 0.096) 3.863 4.869 ( -1.896 1.421 -0.064) 2.370 5.467 ( -1.834 -1.628 -0.009) 2.452 5.587 ( 0.332 -1.339 0.116) 1.384 6.289 ( 0.099 -0.645 -0.115) 0.663 6.485 ( 2.043 -0.550 0.042) 2.116 6.931 ( -1.993 -4.373 0.701) 4.857 7.020 ( 2.021 -4.673 -0.655) 5.133 14.352 ( 4.983 -2.797 0.049) 5.715 14.474 ( 4.040 8.155 -0.018) 9.101 15.540 ( 1.104 3.412 -0.028) 3.587 19.074 ( -4.091 6.293 0.034) 7.506 20.854 ( 4.963 -5.832 0.175) 7.660 21.947 ( 6.749 -6.347 -0.133) 9.265 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -14.372 9.194 -0.249) 17.063 3.262 ( -14.756 -7.628 -0.091) 16.611 3.982 ( -0.900 -2.663 -0.047) 2.812 4.405 ( -9.794 6.136 0.085) 11.558 4.729 ( -2.310 4.179 0.387) 4.791 4.833 ( -3.115 0.411 -0.377) 3.164 5.377 ( -5.504 -3.060 0.090) 6.298 5.553 ( -2.638 -2.587 -0.045) 3.695 6.259 ( -2.401 -2.625 -0.077) 3.559 6.532 ( 2.452 -0.964 -0.239) 2.646 6.814 ( -3.967 -4.709 2.324) 6.581 6.999 ( 1.691 -3.948 -1.965) 4.723 14.501 ( 13.666 0.099 0.050) 13.666 14.735 ( 11.325 14.889 -0.001) 18.707 15.650 ( 7.012 4.259 -0.025) 8.204 19.059 ( -3.442 4.045 0.064) 5.312 20.904 ( 5.271 -2.682 0.216) 5.918 22.047 ( 10.276 -4.137 -0.142) 11.078 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -19.264 7.589 -0.358) 20.708 2.863 ( -20.228 -9.225 -0.233) 22.233 3.884 ( -5.083 -6.986 -0.038) 8.639 4.258 ( -12.562 3.630 0.215) 13.078 4.728 ( -2.920 4.386 0.519) 5.295 4.768 ( -3.819 -0.878 -0.585) 3.962 5.212 ( -9.473 -3.653 0.272) 10.157 5.420 ( -8.424 -4.713 -0.209) 9.655 6.138 ( -6.556 -4.926 -0.090) 8.201 6.426 ( -8.963 -8.530 0.144) 12.374 6.836 ( 6.698 2.155 3.109) 7.692 7.028 ( 5.601 -0.425 -3.118) 6.424 14.826 ( 20.803 3.169 0.038) 21.043 15.144 ( 15.164 18.272 0.006) 23.745 15.876 ( 14.003 4.036 0.062) 14.573 19.038 ( -1.794 1.081 0.050) 2.095 20.970 ( 2.792 0.535 0.023) 2.843 22.201 ( 10.705 -3.229 0.126) 11.182 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -24.975 -8.422 -0.391) 26.360 2.449 ( -22.759 4.561 -0.399) 23.215 3.638 ( -13.072 -11.360 -0.097) 17.318 4.043 ( -14.617 1.671 0.301) 14.715 4.673 ( -4.281 -3.696 -0.509) 5.678 4.718 ( -3.455 3.968 0.441) 5.280 4.971 ( -13.938 -2.702 0.292) 14.200 5.176 ( -12.246 -5.244 0.133) 13.322 5.945 ( -9.272 -5.759 -1.291) 10.991 6.129 ( -12.808 -9.320 1.705) 15.931 7.005 ( 8.057 2.203 1.113) 8.426 7.192 ( 11.732 3.424 -1.847) 12.361 15.274 ( 23.510 6.706 0.046) 24.448 15.619 ( 18.675 16.040 -0.087) 24.618 16.224 ( 20.527 4.184 0.278) 20.951 19.021 ( 0.100 -1.531 0.001) 1.534 20.992 ( -2.575 2.382 -0.574) 3.554 22.327 ( 6.535 -3.839 0.940) 7.637 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -27.366 -9.864 -0.471) 29.094 2.061 ( -26.842 4.770 -0.405) 27.266 3.169 ( -25.361 -14.451 -0.169) 29.190 3.795 ( -14.572 0.904 0.311) 14.604 4.492 ( -10.943 -9.249 -0.005) 14.328 4.691 ( -3.977 2.923 0.345) 4.948 4.718 ( -11.628 1.757 0.054) 11.760 4.930 ( -9.907 -3.272 0.343) 10.439 5.648 ( -15.834 -8.297 -1.478) 17.937 5.861 ( -9.524 -4.643 1.588) 10.714 7.162 ( 7.569 1.726 -0.768) 7.801 7.472 ( 14.975 4.249 -0.064) 15.566 15.749 ( 20.133 9.000 0.092) 22.053 16.138 ( 26.088 9.913 -0.239) 27.909 16.671 ( 24.364 4.899 0.496) 24.856 19.012 ( 1.590 -3.128 -0.052) 3.509 20.902 ( -10.601 2.247 -1.638) 10.960 22.325 ( -2.792 -5.242 2.518) 6.451 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -28.531 -8.092 -0.445) 29.660 1.602 ( -29.740 3.222 -0.304) 29.915 2.476 ( -36.707 -12.076 -0.099) 38.642 3.563 ( -12.808 1.029 0.216) 12.851 4.112 ( -20.453 -7.597 0.358) 21.821 4.589 ( -5.586 1.081 -0.319) 5.699 4.650 ( -3.496 1.198 0.341) 3.711 4.776 ( -5.236 -1.089 0.237) 5.353 5.264 ( -18.344 -5.719 -0.550) 19.223 5.675 ( -8.387 -2.251 0.487) 8.698 7.301 ( 6.702 1.091 -0.964) 6.858 7.782 ( 15.439 2.967 0.327) 15.725 16.139 ( 15.416 5.721 0.083) 16.444 16.748 ( 33.592 6.195 -0.052) 34.158 17.164 ( 25.852 4.035 0.308) 26.167 19.014 ( 2.283 -3.090 -0.069) 3.842 20.640 ( -20.586 0.497 -2.432) 20.735 22.117 ( -15.614 -5.163 3.988) 16.922 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -26.715 0.000 0.000) 26.715 1.082 ( -30.865 0.000 0.000) 30.865 1.684 ( -44.410 0.000 0.000) 44.410 3.371 ( -9.603 0.000 0.000) 9.603 3.682 ( -22.129 0.000 0.000) 22.129 4.520 ( -2.946 0.000 0.000) 2.946 4.602 ( -2.304 0.000 0.000) 2.304 4.712 ( -1.931 0.000 0.000) 1.931 4.916 ( -16.960 0.000 0.000) 16.960 5.524 ( -7.268 0.000 0.000) 7.268 7.410 ( 5.022 -0.000 -0.000) 5.022 8.056 ( 13.324 -0.000 -0.000) 13.324 16.408 ( 11.778 -0.000 -0.000) 11.778 17.421 ( 37.840 -0.000 -0.000) 37.840 17.644 ( 25.427 -0.000 -0.000) 25.427 19.034 ( 2.143 -0.000 -0.000) 2.143 20.183 ( -30.329 0.000 0.000) 30.329 21.715 ( -25.918 0.000 0.000) 25.918 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.000 28.266 0.426) 28.269 1.132 ( -0.000 26.267 -0.178) 26.267 1.972 ( -0.000 45.210 0.142) 45.210 3.389 ( -0.000 9.011 0.080) 9.012 3.850 ( -0.000 24.742 0.805) 24.755 4.518 ( 0.000 2.230 -0.261) 2.245 4.609 ( -0.000 1.652 0.255) 1.671 4.722 ( 0.000 2.826 -0.506) 2.871 5.028 ( -0.000 19.239 0.536) 19.246 5.540 ( 0.000 9.224 -5.448) 10.713 7.395 ( -0.000 -6.145 3.520) 7.082 7.972 ( 0.000 -14.296 -1.950) 14.428 16.321 ( 0.000 -14.738 0.161) 14.739 17.222 ( 0.000 -36.687 0.478) 36.690 17.482 ( 0.000 -24.944 -5.050) 25.450 19.070 ( 0.000 -0.583 -0.132) 0.598 20.247 ( 0.000 26.678 -2.604) 26.804 21.858 ( 0.000 27.835 -8.642) 29.146 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 7.541 28.566 0.573) 29.550 1.600 ( 17.938 24.027 0.127) 29.985 2.475 ( 7.911 37.731 -0.055) 38.552 3.563 ( 7.114 10.668 -0.121) 12.823 4.121 ( 3.159 21.825 0.962) 22.074 4.588 ( 4.097 4.268 0.135) 5.918 4.653 ( 2.496 2.592 0.070) 3.600 4.773 ( 1.602 5.114 -0.671) 5.401 5.266 ( 4.497 18.340 0.827) 18.901 5.654 ( 2.776 9.275 -3.578) 10.321 7.316 ( -2.274 -6.821 3.147) 7.849 7.770 ( -5.045 -14.803 -2.071) 15.776 16.140 ( -2.826 -16.152 0.160) 16.398 16.750 ( -11.562 -32.447 0.397) 34.448 17.140 ( -8.716 -23.712 -3.850) 25.554 19.013 ( -3.735 -0.442 -0.102) 3.763 20.629 ( 12.815 17.396 0.920) 21.626 22.101 ( 1.595 18.422 -6.145) 19.486 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 14.982 25.552 0.605) 29.626 2.149 ( 14.755 25.116 0.343) 29.132 2.986 ( 13.878 23.789 -0.128) 27.542 3.818 ( 7.474 13.316 -0.335) 15.273 4.389 ( 6.733 12.102 0.881) 13.877 4.731 ( 2.468 4.459 -0.345) 5.108 4.747 ( 5.099 9.476 0.816) 10.791 4.893 ( 4.743 8.275 -0.724) 9.565 5.551 ( 8.918 13.885 0.948) 16.530 5.798 ( 4.190 8.114 -2.374) 9.436 7.194 ( -4.119 -7.198 2.526) 8.669 7.506 ( -7.514 -13.638 -1.618) 15.654 15.854 ( -11.220 -19.183 0.124) 22.224 16.247 ( -11.995 -21.123 0.176) 24.292 16.702 ( -12.936 -22.706 -2.209) 26.226 18.966 ( -0.497 -0.970 -0.021) 1.091 20.950 ( 6.710 9.622 1.812) 11.870 22.237 ( 1.298 4.743 -3.683) 6.143 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 16.925 21.655 0.432) 27.488 2.613 ( 7.479 27.265 0.371) 28.275 3.419 ( 15.127 10.095 -0.112) 18.186 4.086 ( 6.452 15.126 -0.415) 16.449 4.595 ( 6.626 5.226 0.826) 8.479 4.801 ( -0.227 6.063 -0.423) 6.082 4.963 ( 5.892 11.510 0.947) 12.965 5.100 ( 7.820 9.947 -0.552) 12.665 5.847 ( 10.152 8.365 1.445) 13.233 5.964 ( 7.786 6.641 -2.421) 10.516 7.038 ( -5.524 -7.316 1.011) 9.223 7.241 ( -7.272 -11.347 -0.247) 13.480 15.371 ( -16.395 -23.266 0.008) 28.462 15.901 ( -14.570 -6.104 0.089) 15.797 16.242 ( -11.435 -22.218 -1.042) 25.009 18.975 ( 2.150 -0.198 -0.010) 2.159 21.067 ( -1.086 3.812 0.975) 4.082 22.225 ( -0.343 -7.255 -1.533) 7.423 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 15.978 16.519 0.205) 22.983 2.971 ( 1.411 27.931 0.319) 27.969 3.719 ( 11.783 2.758 -0.082) 12.102 4.338 ( 4.382 15.118 -0.399) 15.745 4.742 ( 4.633 4.153 0.751) 6.268 4.844 ( -2.614 7.521 -0.381) 7.972 5.169 ( 5.529 8.261 0.802) 9.973 5.335 ( 7.838 7.309 -0.319) 10.722 6.047 ( 6.447 4.292 0.400) 7.755 6.221 ( 13.668 4.002 -0.973) 14.275 6.860 ( -6.123 -6.624 -1.017) 9.077 7.038 ( -4.076 -8.539 1.430) 9.569 14.872 ( -13.719 -20.804 -0.052) 24.921 15.517 ( -22.712 -5.281 -0.103) 23.318 15.910 ( -5.909 -12.345 -0.226) 13.688 19.035 ( 3.060 2.616 -0.022) 4.026 21.015 ( -5.300 -1.937 0.225) 5.647 22.091 ( -1.253 -14.541 -0.384) 14.600 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 11.191 11.181 0.017) 15.819 3.240 ( -1.054 24.936 0.204) 24.959 3.903 ( 6.912 1.918 -0.006) 7.173 4.539 ( 1.356 14.535 -0.325) 14.602 4.847 ( 1.784 4.906 0.598) 5.255 4.859 ( -4.404 7.882 -0.260) 9.033 5.325 ( 4.717 4.348 0.612) 6.444 5.493 ( 4.487 2.242 -0.255) 5.023 6.186 ( 5.537 1.455 0.074) 5.725 6.450 ( 8.414 -1.029 0.193) 8.479 6.728 ( -0.722 -3.016 -1.891) 3.632 6.933 ( 0.507 -6.777 1.549) 6.971 14.491 ( -8.058 -15.622 -0.060) 17.578 15.052 ( -21.107 -7.394 -0.034) 22.364 15.743 ( -6.213 -0.891 -0.003) 6.276 19.129 ( 1.789 7.032 -0.022) 7.256 20.870 ( -4.852 -7.742 -0.039) 9.137 21.911 ( -0.028 -17.248 -0.013) 17.248 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( -0.741 14.318 -0.011) 14.337 3.441 ( 2.928 9.877 -0.008) 10.302 4.011 ( 1.305 5.222 0.061) 5.383 4.679 ( -2.142 14.559 -0.179) 14.717 4.842 ( -6.113 7.637 -0.218) 9.785 4.912 ( -0.235 4.442 0.439) 4.470 5.426 ( 3.382 1.242 0.436) 3.629 5.548 ( 1.776 -1.244 -0.220) 2.180 6.259 ( 2.418 -0.663 -0.016) 2.507 6.469 ( -0.395 -3.524 0.290) 3.558 6.792 ( 7.683 -1.730 -1.522) 8.021 6.911 ( 3.619 -6.745 1.237) 7.754 14.281 ( -1.204 -9.519 -0.042) 9.595 14.668 ( -13.986 -5.305 0.041) 14.959 15.659 ( -6.367 5.763 0.009) 8.588 19.225 ( -1.995 11.281 -0.011) 11.456 20.718 ( 0.023 -12.069 0.027) 12.069 21.764 ( 3.432 -16.687 -0.025) 17.036 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( -8.718 15.050 -0.082) 17.393 3.519 ( 0.651 -1.091 -0.045) 1.271 4.051 ( -3.772 6.477 0.028) 7.495 4.747 ( -8.791 15.268 0.015) 17.618 4.815 ( -3.077 5.521 -0.140) 6.322 4.931 ( -2.292 3.716 0.153) 4.369 5.464 ( 0.534 -1.115 0.177) 1.249 5.553 ( 1.355 -2.200 -0.000) 2.584 6.273 ( 0.685 -1.192 -0.083) 1.377 6.442 ( 1.172 -2.156 0.097) 2.455 6.875 ( 4.510 -4.020 -1.191) 6.158 6.896 ( 2.891 -8.671 1.167) 9.215 14.233 ( 3.424 -5.875 0.021) 6.800 14.504 ( -0.880 1.483 0.030) 1.725 15.632 ( -5.052 8.726 -0.033) 10.083 19.268 ( -6.818 11.813 -0.006) 13.639 20.653 ( 6.816 -11.728 0.216) 13.566 21.707 ( 8.228 -14.304 -0.151) 16.503 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( -12.106 7.929 -0.165) 14.473 3.441 ( -10.040 2.307 -0.029) 10.302 4.011 ( -5.177 1.465 -0.045) 5.381 4.681 ( -11.510 9.318 0.068) 14.810 4.845 ( -3.364 8.969 0.109) 9.580 4.907 ( -3.925 2.343 -0.160) 4.574 5.424 ( -2.846 -2.323 0.171) 3.678 5.549 ( 0.189 -2.186 -0.018) 2.194 6.259 ( -0.649 -2.400 -0.091) 2.488 6.466 ( 3.116 -1.598 -0.052) 3.502 6.814 ( -1.814 -7.471 1.649) 7.863 6.893 ( 3.683 -6.404 -1.497) 7.538 14.282 ( 8.856 -3.706 0.079) 9.600 14.668 ( 11.591 9.474 0.004) 14.970 15.658 ( -1.807 8.374 -0.070) 8.567 19.225 ( -8.743 7.335 0.004) 11.413 20.721 ( 10.438 -5.993 0.337) 12.040 21.762 ( 12.736 -11.343 -0.233) 17.057 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -15.341 -4.023 -0.146) 15.860 3.238 ( -21.193 13.355 -0.182) 25.051 3.903 ( -5.072 -5.018 -0.054) 7.135 4.542 ( -13.239 6.213 0.184) 14.626 4.841 ( -5.087 0.299 -0.376) 5.109 4.862 ( -4.654 8.215 0.251) 9.445 5.323 ( -6.185 -2.037 0.351) 6.521 5.493 ( -4.219 -2.717 -0.275) 5.026 6.186 ( -4.062 -4.084 0.030) 5.760 6.447 ( -2.939 -7.488 -0.347) 8.051 6.759 ( 3.217 -1.545 2.797) 4.534 6.907 ( 5.081 -3.482 -2.413) 6.616 14.492 ( 17.550 -0.826 0.081) 17.569 15.053 ( 16.974 14.635 0.021) 22.412 15.742 ( 3.946 4.903 -0.067) 6.294 19.129 ( -6.959 1.930 0.012) 7.222 20.872 ( 9.000 0.341 0.267) 9.010 21.910 ( 15.090 -8.588 -0.151) 17.363 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -22.427 -5.540 -0.168) 23.102 2.967 ( -24.959 12.791 -0.265) 28.047 3.719 ( -8.271 -8.774 -0.038) 12.058 4.342 ( -15.266 3.803 0.237) 15.734 4.734 ( -5.950 -1.964 -0.399) 6.278 4.849 ( -5.141 5.985 0.297) 7.896 5.166 ( -10.010 -0.955 0.373) 10.063 5.335 ( -10.109 -2.982 -0.245) 10.542 6.041 ( -7.481 -3.693 -0.424) 8.353 6.232 ( -9.433 -9.561 0.591) 13.444 6.881 ( 8.007 0.901 2.031) 8.310 7.014 ( 9.852 0.333 -2.246) 10.110 14.873 ( 24.857 1.477 0.064) 24.901 15.518 ( 15.846 17.113 0.001) 23.323 15.911 ( 13.922 -1.072 0.017) 13.963 19.035 ( -3.789 -1.367 0.000) 4.028 21.014 ( 3.990 3.568 -0.031) 5.353 22.095 ( 13.652 -6.136 0.173) 14.968 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -27.361 -3.742 -0.165) 27.616 2.609 ( -27.392 7.260 -0.199) 28.338 3.419 ( -16.338 -7.949 -0.040) 18.169 4.090 ( -16.315 1.911 0.180) 16.428 4.588 ( -7.837 -3.103 -0.205) 8.431 4.805 ( -5.102 3.098 0.223) 5.973 4.958 ( -12.956 0.294 0.167) 12.960 5.104 ( -12.328 -1.746 0.024) 12.451 5.831 ( -12.506 -3.787 -0.957) 13.102 5.987 ( -9.323 -4.192 1.041) 10.275 7.033 ( 8.135 0.498 0.176) 8.153 7.240 ( 14.213 1.464 -0.490) 14.297 15.371 ( 28.316 2.529 0.042) 28.429 15.900 ( 12.497 9.572 -0.083) 15.742 16.250 ( 25.378 -1.054 0.138) 25.400 18.975 ( -0.909 -1.956 -0.016) 2.157 21.058 ( -3.346 2.982 -0.371) 4.497 22.239 ( 7.405 -3.525 0.557) 8.220 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -29.739 0.000 0.000) 29.739 2.147 ( -29.157 0.000 0.000) 29.157 2.987 ( -27.567 0.000 0.000) 27.567 3.820 ( -15.266 0.000 0.000) 15.266 4.383 ( -13.867 0.000 0.000) 13.867 4.734 ( -4.723 0.000 0.000) 4.723 4.741 ( -10.988 0.000 0.000) 10.988 4.898 ( -9.466 0.000 0.000) 9.466 5.545 ( -16.665 0.000 0.000) 16.665 5.814 ( -8.664 0.000 0.000) 8.664 7.177 ( 7.790 -0.000 -0.000) 7.790 7.517 ( 15.900 -0.000 -0.000) 15.900 15.853 ( 22.211 -0.000 -0.000) 22.211 16.246 ( 24.199 -0.000 -0.000) 24.199 16.717 ( 26.752 -0.000 -0.000) 26.752 18.966 ( 1.093 -0.000 -0.000) 1.093 20.938 ( -12.185 0.000 0.000) 12.185 22.263 ( -3.276 0.000 0.000) 3.276 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -0.000 29.568 0.252) 29.569 1.638 ( -0.000 23.411 -0.030) 23.411 2.819 ( -0.000 37.330 -0.042) 37.330 3.600 ( -0.000 11.435 0.008) 11.435 4.353 ( -0.000 23.265 1.785) 23.333 4.572 ( 0.000 3.094 -0.258) 3.105 4.643 ( -0.000 1.574 0.300) 1.602 4.820 ( 0.000 7.410 -0.738) 7.446 5.434 ( -0.000 19.442 0.152) 19.443 5.733 ( 0.000 11.705 -2.834) 12.044 7.271 ( -0.000 -7.296 2.996) 7.887 7.650 ( 0.000 -16.009 -2.239) 16.165 15.968 ( 0.000 -19.587 0.213) 19.588 16.511 ( 0.000 -33.236 0.269) 33.237 16.966 ( 0.000 -23.882 -3.509) 24.138 19.056 ( 0.000 -0.733 -0.159) 0.750 20.675 ( -0.000 15.826 0.292) 15.828 22.264 ( 0.000 14.073 -3.642) 14.536 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 5.369 28.540 0.378) 29.043 2.057 ( 17.766 20.778 0.077) 27.338 3.165 ( 0.227 29.127 -0.150) 29.129 3.797 ( 7.940 12.191 -0.130) 14.549 4.503 ( -2.979 13.113 1.014) 13.485 4.693 ( 4.536 2.616 -0.078) 5.237 4.732 ( 7.279 9.893 1.256) 12.347 4.925 ( 2.062 10.202 -0.841) 10.443 5.630 ( 1.396 16.456 -0.325) 16.518 5.860 ( 0.489 12.484 -1.562) 12.591 7.182 ( -2.296 -7.373 2.673) 8.172 7.450 ( -3.531 -15.383 -2.016) 15.912 15.753 ( -2.316 -21.950 0.223) 22.073 16.136 ( -4.428 -27.685 0.003) 28.037 16.652 ( -7.610 -22.723 -2.248) 24.068 19.010 ( -3.428 0.198 -0.109) 3.435 20.894 ( 7.993 8.381 0.880) 11.615 22.326 ( -3.915 5.585 -2.330) 7.208 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 10.536 25.393 0.350) 27.494 2.609 ( 20.226 19.951 0.234) 28.411 3.417 ( 1.363 18.109 -0.197) 18.161 4.089 ( 9.611 13.244 -0.323) 16.367 4.595 ( 1.346 8.049 0.791) 8.199 4.805 ( 4.984 3.013 -0.239) 5.828 4.976 ( 6.205 11.574 1.645) 13.234 5.096 ( 4.770 11.372 -0.843) 12.360 5.821 ( 4.140 11.987 -0.054) 12.682 5.985 ( 0.200 11.232 -1.138) 11.291 7.054 ( -4.315 -7.228 1.760) 8.600 7.222 ( -4.935 -13.355 -1.176) 14.286 15.372 ( -12.089 -25.830 0.066) 28.519 15.899 ( 2.194 -15.695 -0.007) 15.848 16.239 ( -13.352 -20.887 -1.167) 24.817 18.975 ( -1.184 1.765 -0.034) 2.125 21.062 ( 4.522 1.091 0.770) 4.715 22.231 ( -7.040 -3.921 -1.256) 8.155 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 11.644 19.963 0.164) 23.111 3.143 ( 14.083 24.000 0.299) 27.829 3.592 ( 4.351 7.437 -0.178) 8.618 4.382 ( 7.784 13.778 -0.448) 15.831 4.715 ( 3.742 6.064 0.808) 7.171 4.917 ( 2.772 5.300 -0.317) 5.990 5.177 ( 4.237 8.806 1.470) 9.882 5.299 ( 5.858 9.157 -0.768) 10.897 6.012 ( 5.345 7.067 0.520) 8.876 6.101 ( 3.285 7.935 -1.094) 8.657 6.894 ( -5.668 -6.752 0.170) 8.817 7.017 ( -4.097 -10.459 0.195) 11.234 14.887 ( -13.269 -22.881 -0.047) 26.451 15.757 ( -13.344 -23.222 -0.561) 26.789 15.842 ( -1.306 -2.324 0.111) 2.668 19.013 ( 2.295 3.957 0.007) 4.575 21.068 ( -2.284 -3.961 0.266) 4.580 22.013 ( -7.315 -12.472 -0.430) 14.466 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 10.475 13.690 -0.009) 17.238 3.535 ( -0.942 24.879 0.136) 24.897 3.769 ( 12.012 3.950 -0.022) 12.645 4.631 ( 4.631 13.454 -0.464) 14.237 4.844 ( 3.883 5.392 0.719) 6.683 5.005 ( -0.489 8.148 -0.226) 8.166 5.311 ( 2.749 5.284 1.108) 6.059 5.457 ( 3.568 4.828 -0.647) 6.038 6.130 ( 2.822 3.501 0.153) 4.500 6.273 ( 9.289 1.498 -0.149) 9.411 6.737 ( -4.661 -5.062 -0.399) 6.893 6.872 ( -1.742 -8.050 0.423) 8.248 14.476 ( -9.525 -17.355 -0.069) 19.797 15.264 ( -16.910 -18.473 -0.169) 25.045 15.836 ( -1.486 3.881 0.088) 4.157 19.135 ( 4.928 7.359 0.037) 8.857 20.915 ( -7.720 -7.834 -0.109) 11.000 21.747 ( -4.128 -18.586 0.008) 19.039 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( 8.061 8.340 -0.108) 11.600 3.634 ( -4.374 9.062 -0.026) 10.063 4.066 ( 5.787 17.676 0.084) 18.599 4.812 ( 1.476 11.793 -0.386) 11.892 4.952 ( 1.538 5.326 0.461) 5.562 5.065 ( -4.204 11.939 0.002) 12.657 5.391 ( 2.094 1.882 0.691) 2.899 5.515 ( 0.545 0.279 -0.440) 0.754 6.199 ( 3.039 -0.109 0.043) 3.042 6.400 ( 5.044 -3.549 0.284) 6.173 6.657 ( 2.002 -4.542 -0.109) 4.965 6.797 ( 1.438 -6.259 -0.109) 6.423 14.215 ( -3.479 -10.927 -0.056) 11.468 14.815 ( -13.917 -14.835 0.008) 20.341 15.857 ( -4.828 10.638 0.052) 11.683 19.325 ( 4.735 12.143 0.058) 13.033 20.664 ( -8.274 -11.998 -0.135) 14.575 21.516 ( 1.431 -21.178 0.054) 21.226 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( 4.726 4.060 -0.123) 6.232 3.610 ( -5.027 3.758 -0.045) 6.277 4.271 ( -4.893 19.435 0.035) 20.041 4.919 ( -1.219 8.509 -0.247) 8.599 4.998 ( -2.387 5.301 0.208) 5.818 5.099 ( -8.130 15.931 0.100) 17.886 5.431 ( 1.745 -0.848 0.342) 1.970 5.504 ( 0.669 -2.888 -0.171) 2.970 6.233 ( 2.055 -1.929 0.008) 2.818 6.401 ( 0.793 -3.258 0.166) 3.357 6.684 ( 6.957 -8.936 0.237) 11.327 6.782 ( 3.032 -5.304 -0.324) 6.118 14.124 ( 1.868 -5.645 -0.022) 5.946 14.514 ( -4.814 -9.220 0.064) 10.401 15.875 ( -7.595 14.194 -0.004) 16.098 19.508 ( -2.249 16.145 0.003) 16.301 20.435 ( 0.145 -14.926 0.126) 14.927 21.383 ( 7.754 -20.316 -0.102) 21.746 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( -5.860 -2.008 -0.038) 6.194 3.609 ( -0.740 6.230 -0.120) 6.275 4.270 ( -14.446 13.952 -0.009) 20.083 4.922 ( -6.505 5.444 0.074) 8.483 4.994 ( -3.671 4.531 -0.122) 5.833 5.099 ( -9.753 14.989 0.022) 17.882 5.430 ( -0.304 -2.020 0.219) 2.055 5.505 ( 2.274 -1.944 -0.039) 2.992 6.234 ( 0.625 -2.714 0.016) 2.785 6.398 ( 2.228 -2.524 -0.091) 3.367 6.688 ( 4.972 -11.059 0.624) 12.141 6.780 ( 2.554 -4.591 -0.502) 5.278 14.125 ( 4.004 -4.415 0.046) 5.960 14.514 ( 10.371 -0.461 0.031) 10.382 15.875 ( -8.535 13.654 -0.053) 16.102 19.507 ( -12.862 9.912 -0.088) 16.239 20.438 ( 12.971 -7.392 0.404) 14.935 21.382 ( 13.638 -16.955 -0.249) 21.760 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -11.311 -2.755 -0.048) 11.642 3.633 ( -5.701 8.398 -0.097) 10.151 4.064 ( -18.230 3.814 -0.050) 18.625 4.819 ( -10.924 4.755 0.211) 11.916 4.942 ( -5.558 1.212 -0.376) 5.701 5.067 ( -8.046 9.627 0.166) 12.548 5.386 ( -2.818 -1.243 0.246) 3.090 5.518 ( -0.521 -0.087 -0.157) 0.551 6.199 ( -1.457 -2.679 0.032) 3.050 6.393 ( 0.547 -6.038 -0.265) 6.069 6.672 ( 4.280 -5.577 1.335) 7.156 6.788 ( 3.447 -3.018 -1.054) 4.701 14.217 ( 11.215 -2.461 0.062) 11.482 14.815 ( 19.866 4.651 0.021) 20.403 15.855 ( -6.821 9.492 -0.070) 11.688 19.324 ( -12.818 1.914 -0.044) 12.960 20.669 ( 14.442 1.243 0.370) 14.501 21.513 ( 17.672 -11.870 -0.250) 21.290 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -17.204 -2.163 -0.049) 17.339 3.532 ( -21.325 13.323 -0.106) 25.145 3.769 ( -9.238 -8.352 -0.015) 12.454 4.638 ( -13.990 2.734 0.150) 14.255 4.833 ( -6.666 -0.606 -0.256) 6.698 5.009 ( -6.705 4.405 0.160) 8.024 5.302 ( -6.073 -0.346 0.190) 6.086 5.461 ( -5.987 -0.206 -0.184) 5.993 6.128 ( -4.692 -0.799 -0.021) 4.760 6.274 ( -5.281 -7.139 -0.009) 8.880 6.754 ( 7.233 -0.270 1.350) 7.363 6.854 ( 7.021 -0.888 -1.288) 7.194 14.477 ( 19.793 -0.458 0.039) 19.798 15.266 ( 24.597 5.467 0.026) 25.198 15.835 ( -2.608 3.220 -0.047) 4.143 19.135 ( -8.799 -0.609 -0.008) 8.820 20.918 ( 10.405 2.678 0.143) 10.745 21.746 ( 18.400 -5.659 -0.082) 19.251 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -23.260 0.000 0.000) 23.260 3.140 ( -27.873 0.000 0.000) 27.873 3.594 ( -8.587 0.000 0.000) 8.587 4.387 ( -15.842 0.000 0.000) 15.842 4.706 ( -7.187 0.000 0.000) 7.187 4.920 ( -5.919 0.000 0.000) 5.919 5.161 ( -9.809 0.000 0.000) 9.809 5.307 ( -10.899 0.000 0.000) 10.899 6.006 ( -8.984 0.000 0.000) 8.984 6.113 ( -7.906 0.000 0.000) 7.906 6.892 ( 8.007 -0.000 -0.000) 8.007 7.015 ( 11.542 -0.000 -0.000) 11.542 14.888 ( 26.426 -0.000 -0.000) 26.426 15.763 ( 27.115 -0.000 -0.000) 27.115 15.840 ( 2.663 -0.000 -0.000) 2.663 19.013 ( -4.557 0.000 0.000) 4.557 21.065 ( 4.248 -0.000 -0.000) 4.248 22.018 ( 14.894 -0.000 -0.000) 14.894 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -0.000 28.040 0.170) 28.040 2.078 ( -0.000 19.786 0.112) 19.786 3.455 ( -0.000 24.651 -0.155) 24.651 3.839 ( -0.000 11.785 -0.122) 11.785 4.638 ( 0.000 3.312 -0.308) 3.326 4.674 ( -0.000 1.352 0.434) 1.420 4.790 ( -0.000 18.583 2.479) 18.748 5.021 ( 0.000 12.360 -0.989) 12.400 5.781 ( 0.000 14.700 -1.080) 14.740 6.003 ( 0.000 15.363 -0.687) 15.379 7.136 ( -0.000 -6.842 2.457) 7.270 7.317 ( 0.000 -15.480 -1.883) 15.594 15.545 ( 0.000 -21.682 0.233) 21.683 15.872 ( 0.000 -29.722 -0.078) 29.722 16.487 ( 0.000 -21.869 -1.689) 21.935 19.040 ( 0.000 -0.731 -0.155) 0.747 20.903 ( -0.000 6.907 0.693) 6.942 22.404 ( 0.000 1.380 -1.422) 1.981 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 5.283 25.868 0.299) 26.404 2.444 ( 15.511 17.341 0.060) 23.267 3.633 ( -3.228 17.034 -0.182) 17.338 4.044 ( 8.699 11.740 -0.222) 14.614 4.670 ( -0.490 5.306 0.298) 5.337 4.725 ( 4.746 1.062 0.024) 4.864 5.011 ( 4.069 13.806 2.381) 14.589 5.163 ( 1.525 12.682 -1.184) 12.828 5.918 ( 0.055 12.488 -0.578) 12.501 6.142 ( -1.874 14.801 -0.697) 14.936 7.051 ( -2.644 -6.069 1.459) 6.779 7.142 ( -2.192 -13.815 -0.934) 14.019 15.277 ( -6.053 -23.796 0.143) 24.555 15.616 ( 4.610 -24.082 -0.101) 24.519 16.213 ( -6.447 -19.356 -0.968) 20.425 19.019 ( -1.317 0.725 -0.105) 1.507 20.992 ( 3.473 1.413 0.582) 3.794 22.329 ( -6.811 -3.885 -0.832) 7.885 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 6.456 22.013 0.117) 22.941 2.966 ( 23.728 15.187 0.198) 28.173 3.716 ( -3.375 11.593 -0.146) 12.075 4.340 ( 10.800 11.297 -0.357) 15.633 4.738 ( 1.492 5.971 0.624) 6.187 4.850 ( 7.610 1.546 -0.182) 7.768 5.202 ( 3.457 9.293 2.082) 10.131 5.315 ( 2.691 9.889 -1.257) 10.326 6.036 ( 0.825 9.287 0.036) 9.324 6.231 ( -3.582 12.396 -0.648) 12.919 6.924 ( -4.657 -5.978 -1.064) 7.652 6.972 ( -3.146 -10.086 1.386) 10.656 14.874 ( -11.233 -22.266 -0.009) 24.939 15.515 ( 6.801 -22.214 -0.150) 23.233 15.907 ( -7.573 -11.244 -0.297) 13.560 19.034 ( 0.764 3.984 -0.031) 4.057 21.018 ( 1.008 -5.150 0.288) 5.256 22.092 ( -12.162 -8.720 -0.371) 14.970 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 6.764 15.838 -0.032) 17.222 3.532 ( 22.173 11.535 0.105) 24.994 3.768 ( -2.438 12.362 -0.025) 12.600 4.632 ( 9.208 10.807 -0.471) 14.205 4.841 ( 3.029 5.807 0.690) 6.586 5.009 ( 6.983 3.833 -0.168) 7.968 5.328 ( 1.957 5.389 1.577) 5.947 5.444 ( 3.341 5.184 -1.076) 6.260 6.130 ( 1.651 4.576 0.175) 4.868 6.272 ( -3.305 8.269 -0.161) 8.906 6.781 ( -5.468 -3.981 -0.379) 6.775 6.829 ( -2.781 -7.819 0.410) 8.309 14.477 ( -10.350 -16.882 -0.058) 19.802 15.264 ( -7.536 -23.825 -0.173) 24.990 15.835 ( 4.212 0.598 0.077) 4.255 19.135 ( 3.917 7.937 0.036) 8.851 20.919 ( -3.203 -10.268 -0.058) 10.756 21.744 ( -13.890 -13.127 -0.026) 19.112 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 6.003 10.264 -0.124) 11.891 3.713 ( -0.172 -0.489 -0.054) 0.521 4.120 ( 13.359 23.044 0.079) 26.636 4.866 ( 5.326 9.613 -0.481) 11.000 4.959 ( 3.519 5.383 0.587) 6.458 5.164 ( 3.997 7.358 -0.112) 8.374 5.391 ( 0.716 2.118 1.067) 2.477 5.525 ( 1.582 2.012 -0.761) 2.670 6.180 ( 0.538 1.247 0.033) 1.359 6.293 ( 0.821 0.887 0.254) 1.235 6.642 ( -5.036 -5.086 1.438) 7.301 6.736 ( -0.667 -4.340 -1.498) 4.640 14.190 ( -6.030 -10.353 -0.061) 11.981 14.861 ( -11.450 -19.790 -0.012) 22.864 15.967 ( 4.409 7.532 0.076) 8.728 19.334 ( 6.986 12.032 0.109) 13.913 20.706 ( -7.602 -12.400 -0.302) 14.548 21.368 ( -9.976 -17.851 0.163) 20.450 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 4.582 5.958 -0.157) 7.517 3.677 ( -2.250 -1.474 0.004) 2.690 4.517 ( 4.086 22.437 -0.030) 22.806 5.008 ( 1.034 7.835 -0.239) 7.907 5.061 ( 1.323 5.077 0.244) 5.253 5.299 ( 2.216 8.854 -0.071) 9.128 5.409 ( 0.367 -0.290 0.681) 0.826 5.525 ( -4.031 2.144 -0.433) 4.586 6.184 ( 0.434 -1.312 0.018) 1.382 6.320 ( 3.757 -4.434 0.171) 5.814 6.528 ( -0.486 -7.317 1.148) 7.422 6.697 ( 0.881 -3.598 -1.109) 3.867 14.062 ( -0.429 -3.933 -0.052) 3.956 14.500 ( -8.124 -15.143 0.070) 17.185 16.105 ( -0.930 12.228 0.031) 12.263 19.616 ( 8.110 16.141 0.154) 18.064 20.410 ( -11.163 -11.974 -0.234) 16.372 21.072 ( 0.364 -21.912 0.077) 21.915 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -0.768 1.614 -0.096) 1.790 3.631 ( 0.073 -0.309 -0.017) 0.318 4.675 ( -10.049 17.449 -0.043) 20.135 5.061 ( -3.028 5.693 -0.027) 6.449 5.096 ( -2.646 4.102 -0.005) 4.881 5.394 ( 0.348 0.145 0.210) 0.432 5.434 ( -5.480 -0.683 -0.273) 5.529 5.441 ( -0.419 10.049 0.206) 10.059 6.181 ( 1.695 -2.843 0.111) 3.312 6.326 ( 2.592 -4.967 -0.195) 5.606 6.488 ( 4.416 -8.353 0.720) 9.476 6.688 ( 2.576 -3.576 -0.511) 4.437 14.057 ( 0.657 -1.020 -0.015) 1.214 14.329 ( 4.602 -8.088 0.062) 9.306 16.162 ( -7.005 12.083 -0.013) 13.967 19.847 ( -9.054 14.946 -0.162) 17.476 20.174 ( 5.247 -8.054 0.355) 9.619 20.960 ( 11.619 -20.396 -0.168) 23.474 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( -7.452 -0.926 -0.014) 7.509 3.676 ( 2.455 1.252 -0.048) 2.756 4.517 ( -21.552 7.743 -0.023) 22.901 5.016 ( -7.056 3.170 0.213) 7.738 5.053 ( -5.374 1.249 -0.274) 5.524 5.302 ( -8.975 2.867 0.075) 9.422 5.399 ( 0.040 -0.994 0.042) 0.996 5.531 ( 0.333 4.690 -0.007) 4.702 6.185 ( 0.847 -0.992 0.088) 1.307 6.313 ( 1.901 -5.460 -0.222) 5.785 6.516 ( 6.349 -4.275 0.375) 7.664 6.711 ( 2.992 -1.769 -0.200) 3.482 14.063 ( 3.637 -1.601 0.023) 3.974 14.500 ( 17.204 -0.567 0.014) 17.214 16.105 ( -10.171 6.929 -0.026) 12.307 19.612 ( -17.898 1.011 -0.087) 17.926 20.419 ( 15.897 3.737 0.321) 16.334 21.067 ( 18.740 -11.314 -0.205) 21.891 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( -11.952 0.000 0.000) 11.952 3.714 ( 0.583 -0.000 -0.000) 0.583 4.118 ( -26.767 0.000 0.000) 26.767 4.875 ( -10.971 0.000 0.000) 10.971 4.948 ( -6.548 0.000 0.000) 6.548 5.166 ( -8.322 0.000 0.000) 8.322 5.375 ( -2.515 0.000 0.000) 2.515 5.536 ( -2.323 0.000 0.000) 2.323 6.179 ( -1.437 0.000 0.000) 1.437 6.289 ( -1.045 0.000 0.000) 1.045 6.622 ( 7.456 -0.000 -0.000) 7.456 6.757 ( 3.600 -0.000 -0.000) 3.600 14.191 ( 11.987 -0.000 -0.000) 11.987 14.861 ( 22.980 -0.000 -0.000) 22.980 15.966 ( -8.761 0.000 0.000) 8.761 19.332 ( -13.845 0.000 0.000) 13.845 20.711 ( 14.419 -0.000 -0.000) 14.419 21.365 ( 20.517 -0.000 -0.000) 20.517 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -0.000 15.571 0.205) 15.573 2.597 ( -0.000 24.939 0.118) 24.939 3.822 ( -0.000 12.124 -0.168) 12.125 4.064 ( 0.000 10.138 -0.225) 10.140 4.678 ( 0.000 0.738 -0.490) 0.886 4.725 ( -0.000 3.383 0.680) 3.451 5.126 ( -0.000 13.223 2.524) 13.462 5.278 ( 0.000 12.375 -1.360) 12.449 6.043 ( -0.000 11.553 -0.156) 11.554 6.310 ( 0.000 14.065 -0.878) 14.092 7.005 ( 0.000 -10.060 -3.765) 10.741 7.046 ( -0.000 -6.478 4.229) 7.736 15.111 ( 0.000 -20.539 0.216) 20.540 15.304 ( 0.000 -25.952 -0.144) 25.952 16.073 ( 0.000 -17.999 -0.663) 18.011 19.026 ( 0.000 -0.593 -0.127) 0.607 20.983 ( -0.000 1.225 0.491) 1.320 22.342 ( 0.000 -6.052 -0.540) 6.076 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 16.191 12.821 0.197) 20.653 2.860 ( 2.250 22.217 0.090) 22.331 3.880 ( -3.456 7.987 -0.121) 8.703 4.256 ( 9.388 8.964 -0.265) 12.983 4.729 ( 5.131 0.326 -0.464) 5.163 4.772 ( 1.300 3.808 0.720) 4.088 5.262 ( 1.234 9.519 2.093) 9.824 5.392 ( 0.165 9.692 -1.258) 9.774 6.140 ( -0.994 8.922 0.175) 8.979 6.414 ( -2.706 11.371 -0.631) 11.706 6.880 ( -1.190 -8.994 -3.178) 9.613 6.987 ( -3.459 -2.177 3.335) 5.275 14.828 ( -7.720 -19.639 0.057) 21.102 15.144 ( 8.242 -22.150 -0.041) 23.634 15.870 ( -3.386 -13.907 -0.318) 14.317 19.038 ( 1.855 1.083 -0.085) 2.150 20.978 ( -0.993 -2.385 0.322) 2.603 22.197 ( -8.165 -7.929 -0.301) 11.385 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 4.465 15.092 -0.059) 15.738 3.237 ( 21.900 11.731 0.171) 24.845 3.901 ( -1.707 7.020 -0.026) 7.224 4.538 ( 11.926 8.296 -0.346) 14.532 4.841 ( 4.025 3.253 0.297) 5.183 4.869 ( 8.281 0.944 0.095) 8.335 5.362 ( 0.831 5.725 1.474) 5.970 5.468 ( -0.107 5.527 -0.970) 5.613 6.190 ( -1.525 5.386 0.158) 5.600 6.440 ( -4.844 6.901 0.016) 8.431 6.783 ( -1.507 -3.875 -2.760) 4.990 6.886 ( -6.933 -1.127 2.521) 7.463 14.493 ( -9.546 -14.768 -0.033) 17.585 15.052 ( 4.151 -21.888 -0.034) 22.278 15.740 ( 2.427 -5.820 -0.039) 6.306 19.129 ( 5.176 5.074 -0.022) 7.248 20.881 ( -4.405 -7.726 0.095) 8.894 21.904 ( -14.891 -8.952 -0.100) 17.375 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 3.328 11.110 -0.109) 11.599 3.630 ( 10.146 0.686 -0.024) 10.169 4.065 ( 12.415 13.883 0.087) 18.625 4.813 ( 9.639 7.119 -0.424) 11.991 4.946 ( 3.873 4.010 0.497) 5.597 5.071 ( 12.205 2.294 0.003) 12.419 5.413 ( -0.171 2.570 0.958) 2.748 5.500 ( 0.397 0.961 -0.711) 1.259 6.202 ( -1.547 2.424 0.075) 2.876 6.394 ( -5.588 2.819 0.246) 6.264 6.724 ( -4.367 -1.780 -0.755) 4.776 6.737 ( -6.736 -0.707 0.545) 6.795 14.217 ( -7.796 -8.456 -0.056) 11.502 14.816 ( -5.901 -19.404 0.008) 20.282 15.855 ( 11.719 1.108 0.052) 11.771 19.324 ( 8.136 10.088 0.058) 12.960 20.675 ( -6.530 -12.811 -0.136) 14.381 21.508 ( -18.886 -9.577 0.056) 21.176 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 2.957 6.890 -0.140) 7.499 3.676 ( 0.004 -2.733 0.021) 2.734 4.516 ( 17.415 14.712 -0.019) 22.798 5.011 ( 6.229 4.801 -0.330) 7.871 5.057 ( 3.912 3.692 0.360) 5.391 5.301 ( 6.473 6.317 -0.093) 9.045 5.415 ( -1.196 0.199 0.655) 1.378 5.521 ( 4.343 -2.317 -0.443) 4.942 6.187 ( -1.401 -0.131 -0.011) 1.408 6.314 ( -5.453 0.688 0.236) 5.501 6.551 ( -7.852 -3.516 1.161) 8.681 6.680 ( -2.140 -1.290 -1.191) 2.768 14.062 ( -3.253 -2.339 -0.056) 4.007 14.501 ( -9.098 -14.547 0.059) 17.158 16.105 ( 11.125 5.289 0.038) 12.318 19.614 ( 10.036 14.875 0.174) 17.945 20.419 ( -5.369 -15.152 -0.340) 16.079 21.066 ( -18.780 -10.895 0.152) 21.712 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 2.447 4.024 -0.130) 4.711 3.627 ( -1.718 -2.971 0.069) 3.433 4.873 ( 6.091 10.413 -0.050) 12.064 5.127 ( 1.896 3.580 -0.089) 4.052 5.144 ( 1.582 2.283 0.074) 2.778 5.372 ( -0.392 0.423 -0.100) 0.585 5.394 ( -0.088 -0.992 0.220) 1.020 5.613 ( 2.285 3.991 -0.063) 4.599 6.159 ( -0.712 -0.529 -0.049) 0.888 6.224 ( -1.930 -4.186 0.165) 4.612 6.425 ( -2.508 -2.581 0.508) 3.635 6.636 ( -0.252 -1.704 -0.485) 1.789 14.057 ( 1.879 3.179 -0.060) 3.694 14.234 ( -5.942 -10.122 0.077) 11.738 16.296 ( 3.111 5.365 0.009) 6.202 19.956 ( 9.599 15.946 0.320) 18.615 20.201 ( -5.902 -8.828 -0.410) 10.627 20.676 ( -7.850 -14.268 0.091) 16.285 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( -4.657 0.000 0.000) 4.657 3.625 ( 3.499 -0.000 -0.000) 3.499 4.874 ( -11.994 0.000 0.000) 11.994 5.131 ( -3.684 0.000 0.000) 3.684 5.140 ( -3.172 0.000 0.000) 3.172 5.376 ( 1.235 -0.000 -0.000) 1.235 5.387 ( -0.821 0.000 0.000) 0.821 5.615 ( -4.350 0.000 0.000) 4.350 6.160 ( 0.877 -0.000 -0.000) 0.877 6.220 ( 4.309 -0.000 -0.000) 4.309 6.412 ( 2.496 -0.000 -0.000) 2.496 6.648 ( 2.568 -0.000 -0.000) 2.568 14.059 ( -3.706 0.000 0.000) 3.706 14.232 ( 11.730 -0.000 -0.000) 11.730 16.296 ( -6.231 0.000 0.000) 6.231 19.949 ( -18.382 0.000 0.000) 18.382 20.211 ( 10.578 -0.000 -0.000) 10.578 20.674 ( 16.082 -0.000 -0.000) 16.082 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -0.000 10.823 0.217) 10.825 3.062 ( -0.000 20.424 0.061) 20.424 3.977 ( -0.000 3.907 -0.072) 3.908 4.240 ( 0.000 7.121 -0.182) 7.124 4.682 ( 0.000 -0.019 -0.539) 0.539 4.797 ( -0.000 3.185 0.672) 3.255 5.347 ( -0.000 7.809 1.662) 7.984 5.480 ( 0.000 7.528 -0.993) 7.593 6.226 ( -0.000 5.614 0.181) 5.617 6.532 ( -0.000 6.452 0.009) 6.452 6.813 ( 0.000 -3.813 -3.092) 4.909 7.024 ( -0.000 1.180 2.664) 2.914 14.734 ( 0.000 -16.095 0.165) 16.096 14.829 ( 0.000 -20.231 -0.109) 20.231 15.760 ( 0.000 -12.479 -0.202) 12.480 19.015 ( 0.000 -0.387 -0.087) 0.397 20.979 ( -0.000 -1.252 0.275) 1.281 22.191 ( 0.000 -7.824 -0.213) 7.827 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 15.017 7.859 0.147) 16.950 3.260 ( 0.868 16.603 0.020) 16.626 3.979 ( -1.807 2.244 -0.005) 2.881 4.403 ( 10.107 5.498 -0.142) 11.506 4.723 ( 4.942 -0.514 -0.464) 4.991 4.844 ( 1.808 2.826 0.590) 3.406 5.417 ( -0.086 5.207 1.108) 5.324 5.532 ( -0.923 4.551 -0.674) 4.693 6.257 ( -0.956 2.578 0.068) 2.751 6.539 ( -2.257 -0.315 0.387) 2.312 6.798 ( -1.376 3.467 -2.570) 4.530 7.007 ( -4.731 2.263 1.990) 5.609 14.503 ( -6.754 -11.894 0.003) 13.678 14.736 ( 7.226 -17.198 0.024) 18.655 15.646 ( 0.225 -8.105 -0.071) 8.108 19.060 ( 5.195 1.022 -0.055) 5.294 20.919 ( -5.026 -3.021 0.159) 5.867 22.037 ( -8.685 -7.034 -0.113) 11.176 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 12.838 6.560 -0.009) 14.417 3.439 ( 6.955 7.371 -0.009) 10.135 4.011 ( 3.970 3.895 0.063) 5.562 4.676 ( 13.517 5.455 -0.185) 14.577 4.839 ( 9.766 -1.730 -0.177) 9.919 4.921 ( 3.944 2.233 0.404) 4.550 5.451 ( -0.791 2.716 0.612) 2.894 5.536 ( -2.072 1.787 -0.401) 2.765 6.254 ( -1.441 1.365 0.026) 1.985 6.476 ( -3.265 -1.666 0.258) 3.674 6.792 ( -3.505 3.764 -1.678) 5.410 6.908 ( -9.177 1.660 1.385) 9.428 14.284 ( -7.680 -5.806 -0.041) 9.628 14.670 ( 2.430 -14.708 0.041) 14.908 15.656 ( 8.213 -2.624 0.008) 8.622 19.225 ( 10.668 3.892 -0.011) 11.355 20.735 ( -10.550 -5.833 0.029) 12.055 21.752 ( -16.093 -5.506 -0.026) 17.008 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 1.229 6.127 -0.078) 6.250 3.605 ( 5.922 -2.535 0.016) 6.442 4.271 ( 19.119 5.517 0.030) 19.899 4.915 ( 8.210 2.907 -0.215) 8.713 4.999 ( 5.800 1.028 0.208) 5.894 5.102 ( 17.501 0.781 0.064) 17.519 5.448 ( -1.650 0.767 0.257) 1.838 5.496 ( -3.025 -0.479 -0.202) 3.070 6.234 ( -2.327 0.796 0.014) 2.459 6.401 ( -3.827 -0.766 0.147) 3.905 6.727 ( -11.261 0.963 -0.257) 11.305 6.741 ( -5.663 0.419 0.144) 5.680 14.126 ( -5.890 -1.244 -0.035) 6.020 14.516 ( -5.582 -8.712 0.036) 10.347 15.873 ( 16.163 0.526 0.019) 16.172 19.505 ( 14.957 6.025 0.038) 16.125 20.452 ( -13.088 -7.203 -0.070) 14.939 21.373 ( -21.344 -3.474 0.025) 21.625 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 1.794 -0.000 -0.000) 1.794 3.630 ( -0.101 0.000 0.000) 0.101 4.674 ( 20.083 -0.000 -0.000) 20.083 5.059 ( 6.658 -0.000 -0.000) 6.658 5.097 ( 4.636 -0.000 -0.000) 4.636 5.404 ( 2.789 -0.000 -0.000) 2.789 5.426 ( -3.775 0.000 0.000) 3.775 5.444 ( 11.747 -0.000 -0.000) 11.747 6.185 ( -3.238 0.000 0.000) 3.238 6.319 ( -5.822 0.000 0.000) 5.822 6.521 ( -10.117 0.000 0.000) 10.117 6.663 ( -3.560 0.000 0.000) 3.560 14.057 ( -1.284 0.000 0.000) 1.284 14.332 ( -9.321 0.000 0.000) 9.321 16.162 ( 14.018 -0.000 -0.000) 14.018 19.840 ( 17.248 -0.000 -0.000) 17.248 20.188 ( -9.659 0.000 0.000) 9.659 20.953 ( -23.260 0.000 0.000) 23.260 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -0.000 5.576 0.139) 5.578 3.412 ( -0.000 13.461 0.000) 13.461 4.001 ( -0.000 -0.981 0.026) 0.981 4.349 ( -0.000 3.594 -0.033) 3.594 4.676 ( 0.000 -0.195 -0.456) 0.496 4.853 ( -0.000 1.938 0.454) 1.991 5.466 ( -0.000 3.526 0.711) 3.597 5.578 ( 0.000 2.769 -0.431) 2.802 6.278 ( 0.000 0.362 -0.010) 0.362 6.537 ( -0.000 -2.770 0.187) 2.777 6.863 ( 0.000 5.941 -1.626) 6.159 7.081 ( -0.000 2.590 1.354) 2.922 14.477 ( 0.000 -8.861 0.089) 8.862 14.502 ( 0.000 -11.349 -0.055) 11.349 15.568 ( 0.000 -6.267 -0.039) 6.267 19.009 ( 0.000 -0.182 -0.044) 0.187 20.951 ( -0.000 -1.275 0.121) 1.280 22.052 ( 0.000 -5.145 -0.078) 5.146 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 14.419 2.673 0.057) 14.665 3.509 ( -1.247 6.980 -0.022) 7.090 3.990 ( 0.761 -0.441 0.036) 0.881 4.478 ( 10.894 1.900 0.001) 11.059 4.710 ( 4.072 -0.397 -0.244) 4.098 4.886 ( 1.993 1.047 0.239) 2.264 5.488 ( -0.559 1.612 0.324) 1.737 5.584 ( -1.433 1.121 -0.205) 1.831 6.275 ( -0.333 -0.000 -0.012) 0.333 6.499 ( -1.595 -1.616 0.078) 2.271 6.887 ( -2.616 3.343 -0.797) 4.318 7.058 ( -5.206 1.462 0.698) 5.452 14.354 ( -4.918 -2.898 -0.022) 5.708 14.475 ( 5.080 -7.585 0.035) 9.129 15.537 ( 2.396 -2.637 -0.007) 3.563 19.075 ( 7.423 0.427 -0.019) 7.435 20.873 ( -7.570 -1.302 0.048) 7.681 21.933 ( -8.828 -2.750 -0.030) 9.246 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( 17.282 -0.000 -0.000) 17.282 3.515 ( -1.302 0.000 0.000) 1.302 4.053 ( 7.564 -0.000 -0.000) 7.564 4.748 ( 17.579 -0.000 -0.000) 17.579 4.802 ( 6.598 -0.000 -0.000) 6.598 4.945 ( 4.054 -0.000 -0.000) 4.054 5.480 ( -1.277 0.000 0.000) 1.277 5.551 ( -2.795 0.000 0.000) 2.795 6.266 ( -0.910 0.000 0.000) 0.910 6.452 ( -2.722 0.000 0.000) 2.722 6.836 ( -4.821 0.000 0.000) 4.821 6.933 ( -9.784 0.000 0.000) 9.784 14.235 ( -6.848 0.000 0.000) 6.848 14.506 ( 1.778 -0.000 -0.000) 1.778 15.629 ( 10.106 -0.000 -0.000) 10.106 19.268 ( 13.499 -0.000 -0.000) 13.499 20.672 ( -13.617 0.000 0.000) 13.617 21.694 ( -16.416 0.000 0.000) 16.416 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -0.000 0.000 0.000) 0.000 3.564 ( -0.000 0.000 0.000) 0.000 3.978 ( -0.000 0.000 0.000) 0.000 4.386 ( -0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 -0.000) 0.000 4.874 ( -0.000 0.000 0.000) 0.000 5.502 ( -0.000 0.000 0.000) 0.000 5.603 ( -0.000 0.000 0.000) 0.000 6.276 ( -0.000 0.000 0.000) 0.000 6.505 ( -0.000 0.000 0.000) 0.000 6.929 ( -0.000 0.000 0.000) 0.000 7.113 ( -0.000 0.000 0.000) 0.000 14.385 ( -0.000 0.000 0.000) 0.000 14.386 ( -0.000 0.000 0.000) 0.000 15.505 ( -0.000 0.000 0.000) 0.000 19.007 ( -0.000 0.000 0.000) 0.000 20.937 ( -0.000 0.000 0.000) 0.000 21.998 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.035 ( -0.000 0.000 5.345) 5.345 0.035 ( -0.000 0.000 5.345) 5.345 0.071 ( -0.000 0.000 10.691) 10.691 3.193 ( 0.000 -0.000 -0.088) 0.088 3.193 ( 0.000 -0.000 -0.088) 0.088 4.475 ( -0.000 0.000 0.196) 0.196 4.475 ( -0.000 0.000 0.196) 0.196 4.566 ( 0.000 -0.000 -0.169) 0.169 4.566 ( 0.000 -0.000 -0.169) 0.169 4.693 ( 0.000 -0.000 -0.313) 0.313 7.927 ( -0.000 0.000 0.703) 0.703 8.321 ( 0.000 -0.000 -0.296) 0.296 16.634 ( -0.000 0.000 0.002) 0.002 16.634 ( -0.000 0.000 0.002) 0.002 18.237 ( 0.000 -0.000 -0.011) 0.011 19.083 ( 0.000 0.000 -0.001) 0.001 19.083 ( 0.000 -0.000 -0.001) 0.001 19.634 ( 0.000 -0.000 -0.144) 0.144 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 18.215 10.516 2.841) 21.224 0.587 ( 24.277 14.016 0.912) 28.047 1.006 ( 42.421 24.492 0.027) 48.983 3.242 ( 4.220 2.437 -0.230) 4.878 3.390 ( 15.510 8.955 -0.345) 17.913 4.490 ( 1.109 0.641 0.495) 1.374 4.575 ( 0.837 0.483 -0.431) 1.059 4.683 ( 3.590 2.072 -0.985) 4.260 4.711 ( 7.546 4.356 0.998) 8.770 5.359 ( 10.464 6.041 -15.529) 19.676 7.521 ( -5.627 -3.249 10.238) 12.126 8.216 ( -7.829 -4.520 -2.125) 9.287 16.552 ( -6.872 -3.968 -0.057) 7.935 17.829 ( -19.050 -10.998 -19.612) 29.470 18.110 ( -28.847 -16.655 9.495) 34.637 19.081 ( -0.245 -0.141 0.053) 0.287 19.701 ( 34.618 19.987 -0.877) 39.983 21.020 ( 39.189 22.626 -55.540) 71.641 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 24.364 14.067 1.389) 28.167 1.142 ( 22.711 13.112 0.727) 26.235 1.972 ( 39.361 22.725 0.226) 45.450 3.384 ( 7.749 4.474 -0.322) 8.954 3.837 ( 21.069 12.164 -0.435) 24.332 4.528 ( 2.036 1.176 0.616) 2.430 4.600 ( 1.336 0.771 -0.525) 1.630 4.718 ( 2.477 1.430 -0.849) 2.983 5.038 ( 16.641 9.608 1.444) 19.269 5.545 ( 8.236 4.755 -5.021) 10.754 7.414 ( -5.524 -3.189 5.240) 8.255 7.968 ( -12.253 -7.074 -2.417) 14.353 16.318 ( -12.789 -7.384 -0.059) 14.767 17.202 ( -29.511 -17.038 -1.507) 34.110 17.505 ( -23.315 -13.461 -2.713) 27.059 19.072 ( -0.488 -0.282 0.057) 0.567 20.350 ( 20.803 12.010 7.468) 25.155 21.717 ( 27.869 16.090 -22.036) 39.002 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 25.539 14.745 0.837) 29.502 1.649 ( 20.224 11.676 0.628) 23.361 2.825 ( 32.436 18.727 0.284) 37.455 3.594 ( 9.899 5.715 -0.359) 11.436 4.325 ( 19.878 11.477 0.042) 22.953 4.586 ( 2.736 1.580 0.606) 3.217 4.631 ( 1.291 0.745 -0.494) 1.571 4.817 ( 6.420 3.706 -0.888) 7.466 5.455 ( 18.020 10.404 1.600) 20.869 5.732 ( 8.463 4.886 -3.034) 10.233 7.279 ( -6.774 -3.911 3.481) 8.562 7.657 ( -13.315 -7.687 -1.799) 15.480 15.965 ( -16.956 -9.790 -0.004) 19.579 16.515 ( -28.429 -16.413 0.494) 32.830 16.978 ( -21.281 -12.287 -2.790) 24.731 19.059 ( -0.655 -0.378 0.011) 0.757 20.735 ( 11.434 6.601 4.226) 13.862 22.190 ( 14.642 8.453 -8.413) 18.884 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 24.220 13.983 0.532) 27.972 2.089 ( 17.064 9.852 0.535) 19.711 3.462 ( 21.306 12.301 0.120) 24.602 3.833 ( 10.283 5.937 -0.351) 11.880 4.654 ( 1.793 1.035 -0.314) 2.094 4.658 ( 2.177 1.257 0.441) 2.552 4.751 ( 16.087 9.288 0.719) 18.590 5.022 ( 11.039 6.374 -0.819) 12.773 5.841 ( 12.303 7.103 2.257) 14.384 5.956 ( 13.088 7.556 -3.437) 15.499 7.112 ( -7.895 -4.558 1.189) 9.193 7.357 ( -11.522 -6.652 0.063) 13.305 15.541 ( -18.729 -10.813 0.077) 21.626 15.878 ( -25.851 -14.925 0.152) 29.851 16.496 ( -19.239 -11.107 -1.350) 22.256 19.042 ( -0.695 -0.401 -0.055) 0.805 20.926 ( 4.662 2.692 1.636) 5.627 22.373 ( 2.590 1.495 -2.716) 4.040 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 13.396 7.734 0.427) 15.474 2.605 ( 21.509 12.418 0.311) 24.838 3.827 ( 10.406 6.008 -0.038) 12.016 4.061 ( 8.923 5.152 -0.296) 10.308 4.670 ( 0.495 0.286 -0.506) 0.764 4.730 ( 2.957 1.707 0.629) 3.472 5.076 ( 11.505 6.642 0.811) 13.309 5.299 ( 11.410 6.587 -0.396) 13.181 6.060 ( 7.933 4.580 0.362) 9.168 6.298 ( 14.156 8.173 -1.278) 16.396 6.915 ( -8.473 -4.892 -1.537) 9.903 7.144 ( -6.570 -3.793 2.259) 7.915 15.108 ( -17.711 -10.226 0.139) 20.452 15.306 ( -22.647 -13.075 -0.088) 26.151 16.080 ( -15.748 -9.092 -0.502) 18.192 19.027 ( -0.601 -0.347 -0.099) 0.701 20.982 ( 0.402 0.232 0.474) 0.663 22.336 ( -4.509 -2.603 -0.691) 5.252 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 9.278 5.357 0.294) 10.718 3.067 ( 17.582 10.151 0.129) 20.302 3.982 ( 3.296 1.903 -0.037) 3.806 4.241 ( 6.239 3.602 -0.178) 7.206 4.678 ( 0.334 0.193 -0.530) 0.655 4.794 ( 2.370 1.368 0.601) 2.802 5.300 ( 7.542 4.355 0.676) 8.735 5.507 ( 5.949 3.435 -0.249) 6.874 6.222 ( 5.217 3.012 0.091) 6.024 6.547 ( 4.584 2.647 0.308) 5.302 6.770 ( -0.471 -0.272 -2.794) 2.847 7.059 ( -1.264 -0.730 2.212) 2.650 14.732 ( -13.866 -8.006 0.144) 16.012 14.828 ( -17.632 -10.180 -0.122) 20.360 15.765 ( -10.904 -6.295 -0.145) 12.591 19.015 ( -0.415 -0.239 -0.095) 0.488 20.967 ( -1.391 -0.803 0.119) 1.611 22.198 ( -6.422 -3.708 -0.124) 7.416 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 4.750 2.743 0.137) 5.487 3.416 ( 11.602 6.698 0.001) 13.397 4.003 ( -0.947 -0.547 0.020) 1.093 4.349 ( 3.008 1.737 -0.035) 3.474 4.685 ( 0.346 0.200 -0.483) 0.626 4.840 ( 1.297 0.749 0.485) 1.574 5.437 ( 3.987 2.302 0.535) 4.634 5.587 ( 1.465 0.846 -0.252) 1.710 6.289 ( 0.867 0.501 -0.056) 1.003 6.523 ( -2.557 -1.476 0.211) 2.960 6.885 ( 6.362 3.673 -1.788) 7.561 7.067 ( 0.755 0.436 1.537) 1.767 14.476 ( -7.640 -4.411 0.089) 8.823 14.500 ( -9.865 -5.696 -0.056) 11.392 15.572 ( -5.482 -3.165 -0.038) 6.330 19.007 ( -0.196 -0.113 -0.044) 0.231 20.933 ( -1.219 -0.704 0.118) 1.412 22.066 ( -4.323 -2.496 -0.076) 4.992 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -0.046 -0.027 -0.032) 0.062 3.567 ( 0.004 0.002 -0.037) 0.037 3.978 ( -0.022 -0.013 -0.002) 0.026 4.384 ( 0.000 0.000 0.023) 0.023 4.691 ( 0.131 0.075 -0.215) 0.262 4.855 ( -0.113 -0.065 0.236) 0.269 5.485 ( -0.109 -0.063 0.197) 0.234 5.600 ( 0.085 0.049 0.044) 0.108 6.293 ( -0.004 -0.002 -0.196) 0.196 6.491 ( -0.024 -0.014 0.142) 0.144 6.973 ( 0.600 0.347 -0.710) 0.992 7.072 ( -0.565 -0.326 0.679) 0.941 14.382 ( 0.021 0.012 0.031) 0.039 14.385 ( -0.023 -0.013 0.009) 0.028 15.507 ( -0.001 -0.000 -0.030) 0.030 19.005 ( 0.017 0.010 0.026) 0.032 20.918 ( 0.011 0.007 0.227) 0.227 22.012 ( -0.013 -0.007 -0.169) 0.169 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -4.837 -2.792 -0.190) 5.588 3.415 ( -11.648 -6.725 -0.074) 13.451 4.003 ( 0.955 0.552 -0.058) 1.105 4.349 ( -2.965 -1.712 0.029) 3.424 4.690 ( -0.167 -0.096 0.178) 0.263 4.836 ( -1.484 -0.857 -0.091) 1.716 5.434 ( -4.048 -2.337 0.179) 4.677 5.589 ( -1.494 -0.862 0.043) 1.725 6.288 ( -0.871 -0.503 -0.217) 1.029 6.522 ( 2.441 1.409 0.136) 2.821 6.905 ( -5.557 -3.208 1.050) 6.502 7.049 ( -1.388 -0.801 -1.018) 1.899 14.475 ( 7.606 4.391 -0.047) 8.783 14.501 ( 9.898 5.715 0.093) 11.429 15.572 ( 5.500 3.175 -0.042) 6.351 19.008 ( 0.220 0.127 0.073) 0.265 20.934 ( 1.209 0.698 0.299) 1.427 22.065 ( 4.337 2.504 -0.222) 5.013 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -9.351 -5.399 -0.319) 10.802 3.065 ( -17.664 -10.198 -0.198) 20.398 3.981 ( -3.275 -1.891 -0.069) 3.782 4.242 ( -6.157 -3.555 0.102) 7.111 4.685 ( -0.282 -0.163 0.449) 0.555 4.788 ( -2.474 -1.428 -0.375) 2.882 5.299 ( -7.588 -4.381 0.504) 8.776 5.506 ( -5.979 -3.452 -0.304) 6.911 6.221 ( -5.208 -3.007 0.016) 6.014 6.541 ( -4.179 -2.413 -0.474) 4.849 6.811 ( 0.722 0.417 3.179) 3.287 7.026 ( 0.638 0.368 -2.693) 2.792 14.731 ( 13.860 8.002 -0.042) 16.004 14.830 ( 17.630 10.179 0.091) 20.357 15.765 ( 10.990 6.345 -0.023) 12.690 19.016 ( 0.416 0.240 0.069) 0.486 20.967 ( 1.263 0.729 0.214) 1.474 22.198 ( 6.588 3.804 -0.087) 7.608 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -13.453 -7.767 -0.408) 15.540 2.601 ( -21.602 -12.472 -0.331) 24.946 3.827 ( -10.441 -6.028 -0.125) 12.057 4.065 ( -8.863 -5.117 0.209) 10.236 4.678 ( -0.494 -0.285 0.542) 0.787 4.722 ( -2.996 -1.730 -0.535) 3.501 5.076 ( -11.640 -6.721 0.752) 13.462 5.300 ( -11.110 -6.414 -0.206) 12.831 6.054 ( -8.546 -4.934 -0.535) 9.882 6.312 ( -13.230 -7.639 0.762) 15.296 6.945 ( 7.202 4.158 2.987) 8.836 7.106 ( 7.366 4.253 -3.464) 9.184 15.107 ( 17.731 10.237 0.020) 20.474 15.307 ( 22.575 13.034 -0.015) 26.067 16.084 ( 15.974 9.223 0.041) 18.445 19.028 ( 0.581 0.335 0.014) 0.671 20.978 ( -0.798 -0.461 -0.175) 0.938 22.344 ( 5.076 2.930 0.434) 5.877 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -24.323 -14.043 -0.420) 28.089 2.082 ( -17.110 -9.878 -0.460) 19.762 3.459 ( -21.382 -12.345 -0.235) 24.691 3.838 ( -10.258 -5.923 0.274) 11.848 4.648 ( -3.046 -1.759 -0.645) 3.576 4.663 ( -0.937 -0.541 0.604) 1.239 4.753 ( -16.015 -9.246 0.984) 18.518 5.029 ( -10.858 -6.269 0.194) 12.540 5.813 ( -12.737 -7.354 -2.033) 14.848 5.992 ( -12.696 -7.330 1.942) 14.788 7.106 ( 6.417 3.705 0.312) 7.416 7.349 ( 12.829 7.407 -1.135) 14.857 15.541 ( 18.757 10.829 0.100) 21.659 15.875 ( 25.710 14.844 -0.192) 29.688 16.505 ( 19.654 11.347 0.035) 22.694 19.042 ( 0.667 0.385 -0.063) 0.773 20.907 ( -5.575 -3.218 -1.050) 6.522 22.402 ( -1.082 -0.625 1.571) 2.007 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -25.682 -14.828 -0.437) 29.658 1.642 ( -20.264 -11.699 -0.475) 23.404 2.821 ( -32.425 -18.721 -0.219) 37.442 3.598 ( -9.905 -5.719 0.271) 11.441 4.333 ( -19.814 -11.440 1.168) 22.909 4.578 ( -2.721 -1.571 -0.589) 3.196 4.638 ( -1.306 -0.754 0.533) 1.600 4.824 ( -6.401 -3.695 0.138) 7.392 5.439 ( -17.640 -10.184 -0.869) 20.387 5.752 ( -8.672 -5.007 0.041) 10.014 7.253 ( 6.029 3.481 -0.372) 6.971 7.667 ( 13.884 8.016 -0.307) 16.035 15.966 ( 16.972 9.799 0.153) 19.598 16.511 ( 28.496 16.452 -0.134) 32.905 16.993 ( 21.686 12.521 -0.531) 25.047 19.058 ( 0.637 0.368 -0.120) 0.745 20.690 ( -13.037 -7.527 -2.518) 15.263 22.268 ( -11.267 -6.505 3.103) 13.375 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -24.598 -14.202 -0.271) 28.405 1.134 ( -22.753 -13.136 -0.444) 26.277 1.971 ( -39.237 -22.654 0.018) 45.307 3.388 ( -7.787 -4.496 0.200) 8.994 3.845 ( -21.217 -12.249 0.789) 24.512 4.521 ( -1.977 -1.141 -0.444) 2.326 4.606 ( -1.386 -0.800 0.399) 1.649 4.724 ( -2.444 -1.411 -0.018) 2.822 5.027 ( -16.641 -9.608 -0.200) 19.217 5.565 ( -7.109 -4.104 -2.078) 8.468 7.382 ( 4.833 2.790 0.531) 5.605 7.980 ( 12.426 7.174 -0.523) 14.358 16.320 ( 12.779 7.378 0.148) 14.756 17.218 ( 31.783 18.350 0.869) 36.710 17.507 ( 21.979 12.690 -2.590) 25.512 19.071 ( 0.495 0.286 -0.124) 0.585 20.271 ( -22.145 -12.785 -4.519) 25.967 21.881 ( -21.804 -12.589 1.912) 25.250 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -0.000 20.548 2.562) 20.707 0.578 ( -0.000 28.001 0.118) 28.001 1.012 ( -0.000 48.686 0.572) 48.689 3.244 ( -0.000 4.982 -0.034) 4.982 3.394 ( -0.000 18.315 0.005) 18.315 4.485 ( -0.000 1.043 0.033) 1.044 4.579 ( -0.000 1.179 -0.015) 1.179 4.688 ( 0.000 4.934 -1.345) 5.115 4.698 ( -0.000 7.966 0.690) 7.996 5.311 ( 0.000 14.310 -18.464) 23.360 7.539 ( -0.000 -8.205 11.147) 13.842 8.211 ( 0.000 -9.059 -2.523) 9.403 16.553 ( 0.000 -7.867 0.082) 7.867 17.817 ( 0.000 -16.493 -21.136) 26.810 18.111 ( -0.000 -39.332 9.634) 40.494 19.079 ( 0.000 -0.341 -0.070) 0.348 19.544 ( 0.000 43.812 -16.303) 46.747 21.034 ( 0.000 54.049 -46.591) 71.359 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 13.629 22.401 1.740) 26.279 1.086 ( 15.799 26.449 0.511) 30.813 1.685 ( 22.118 38.427 0.108) 44.338 3.368 ( 4.608 8.425 -0.355) 9.609 3.683 ( 10.630 19.593 0.207) 22.292 4.523 ( 1.882 2.331 0.393) 3.021 4.600 ( 0.771 2.231 -0.291) 2.379 4.706 ( 0.848 1.805 -0.914) 2.194 4.925 ( 8.980 14.591 1.355) 17.186 5.464 ( 5.930 8.521 -8.518) 13.429 7.457 ( -2.950 -6.078 6.650) 9.480 8.036 ( -6.602 -11.415 -2.982) 13.520 16.408 ( -5.997 -10.120 0.047) 11.764 17.395 ( -17.668 -27.069 -3.982) 32.569 17.623 ( -12.662 -26.635 -2.729) 29.617 19.033 ( -0.860 -1.887 -0.141) 2.079 20.199 ( 21.600 24.642 2.504) 32.865 21.530 ( 12.271 35.119 -25.781) 45.262 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 21.205 20.370 1.129) 29.425 1.607 ( 12.178 27.215 0.541) 29.820 2.478 ( 28.957 25.620 0.099) 38.664 3.558 ( 5.467 11.628 -0.413) 12.856 4.112 ( 16.524 14.445 0.439) 21.952 4.595 ( 1.978 5.265 0.625) 5.659 4.644 ( 0.532 3.749 -0.469) 3.816 4.768 ( 3.547 4.063 -0.951) 5.476 5.279 ( 14.267 12.895 1.743) 19.310 5.642 ( 6.992 6.677 -4.335) 10.596 7.339 ( -4.750 -6.152 4.613) 9.038 7.762 ( -9.908 -11.582 -2.720) 15.482 16.139 ( -12.724 -10.431 0.041) 16.453 16.752 ( -21.999 -25.780 0.542) 33.895 17.133 ( -15.568 -20.047 -4.332) 25.749 19.014 ( 1.576 -3.560 -0.005) 3.893 20.689 ( 10.199 15.842 4.958) 19.483 22.006 ( 14.419 16.553 -12.247) 25.138 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 22.130 18.622 0.719) 28.931 2.067 ( 9.313 25.534 0.449) 27.183 3.170 ( 25.243 14.594 0.071) 29.158 3.791 ( 6.516 13.066 -0.390) 14.605 4.498 ( 13.569 5.198 0.862) 14.556 4.685 ( -0.710 4.794 -0.480) 4.870 4.723 ( 4.248 11.091 0.805) 11.904 4.922 ( 7.822 7.080 -0.925) 10.590 5.671 ( 15.791 9.614 1.939) 18.589 5.828 ( 8.266 5.948 -3.428) 10.745 7.185 ( -6.260 -6.510 2.702) 9.427 7.463 ( -10.198 -10.337 -1.406) 14.589 15.749 ( -17.864 -12.919 0.077) 22.046 16.142 ( -21.729 -17.789 0.288) 28.083 16.652 ( -15.757 -18.155 -2.259) 24.145 19.012 ( 1.896 -2.953 -0.031) 3.510 20.930 ( 2.562 9.210 2.453) 9.870 22.277 ( 7.626 1.911 -4.435) 9.027 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 19.764 17.270 0.472) 26.250 2.454 ( 7.354 21.957 0.312) 23.158 3.638 ( 16.359 5.569 -0.054) 17.281 4.039 ( 5.913 13.485 -0.348) 14.729 4.681 ( 5.246 1.870 0.757) 5.621 4.712 ( -1.676 5.041 -0.481) 5.333 4.977 ( 9.137 10.679 1.172) 14.103 5.171 ( 10.901 8.242 -0.665) 13.683 5.960 ( 8.598 4.524 0.841) 9.752 6.103 ( 15.593 7.221 -2.020) 17.302 6.998 ( -7.634 -6.715 0.001) 10.167 7.210 ( -7.292 -7.904 0.900) 10.792 15.274 ( -17.547 -17.065 0.069) 24.477 15.619 ( -23.307 -8.196 -0.001) 24.706 16.216 ( -13.515 -15.383 -0.891) 20.496 19.020 ( 1.246 -0.845 -0.074) 1.507 21.001 ( -1.270 2.964 0.833) 3.331 22.312 ( 0.826 -6.857 -1.267) 7.022 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 3.010 20.390 0.298) 20.613 2.866 ( 18.048 12.831 0.158) 22.145 3.884 ( 8.611 0.918 -0.082) 8.661 4.254 ( 3.231 12.693 -0.278) 13.100 4.722 ( -2.430 4.808 -0.373) 5.400 4.776 ( 2.658 2.847 0.588) 3.939 5.217 ( 7.756 6.291 1.011) 10.037 5.419 ( 8.393 5.015 -0.401) 9.785 6.140 ( 7.366 3.114 0.155) 7.999 6.420 ( 12.717 4.044 -0.611) 13.358 6.804 ( -6.037 -4.899 -1.697) 7.958 7.061 ( -2.284 -5.320 1.913) 6.097 14.826 ( -13.125 -16.511 0.028) 21.092 15.144 ( -23.414 -3.971 -0.033) 23.748 15.874 ( -10.360 -9.959 -0.270) 14.374 19.037 ( -0.057 2.117 -0.086) 2.120 20.971 ( -2.035 -2.328 0.235) 3.101 22.199 ( -2.305 -10.662 -0.281) 10.912 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -0.824 16.963 0.145) 16.984 3.263 ( 13.931 8.906 0.021) 16.534 3.982 ( 2.785 -0.524 -0.013) 2.834 4.404 ( -0.304 11.564 -0.139) 11.569 4.723 ( -2.461 4.194 -0.442) 4.883 4.839 ( 1.085 2.839 0.567) 3.092 5.382 ( 5.324 3.161 0.800) 6.243 5.550 ( 3.527 0.989 -0.364) 3.681 6.259 ( 3.466 0.748 0.024) 3.546 6.537 ( -0.725 -2.748 0.419) 2.873 6.783 ( 6.828 1.619 -2.174) 7.347 7.024 ( 2.196 -3.763 1.609) 4.644 14.501 ( -6.906 -11.838 0.002) 13.705 14.736 ( -18.547 -2.330 0.024) 18.693 15.649 ( -7.165 -3.891 -0.071) 8.154 19.058 ( -1.778 5.032 -0.055) 5.338 20.904 ( -0.325 -5.959 0.156) 5.970 22.047 ( -1.520 -10.919 -0.110) 11.024 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -5.029 13.893 0.000) 14.775 3.512 ( 6.691 2.415 -0.056) 7.113 3.991 ( -0.826 0.321 0.031) 0.887 4.477 ( -3.953 10.363 0.009) 11.091 4.722 ( -1.855 3.426 -0.402) 3.917 4.872 ( -0.475 2.229 0.429) 2.319 5.470 ( 2.150 0.648 0.469) 2.294 5.585 ( 1.117 -0.876 -0.135) 1.426 6.288 ( 0.477 -0.412 -0.188) 0.658 6.487 ( -0.622 -2.069 0.231) 2.173 6.916 ( 5.556 -0.134 -1.448) 5.743 7.034 ( 2.383 -4.360 1.315) 5.139 14.352 ( -0.047 -5.714 0.008) 5.715 14.474 ( -9.099 0.576 0.048) 9.117 15.540 ( -3.512 0.756 -0.040) 3.593 19.073 ( -3.380 6.709 -0.000) 7.513 20.855 ( 2.606 -7.210 0.263) 7.671 21.947 ( 2.092 -9.025 -0.187) 9.267 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -9.640 11.250 -0.137) 14.816 3.512 ( -5.449 -4.574 -0.050) 7.115 3.990 ( 0.099 0.852 -0.028) 0.859 4.477 ( -6.974 8.622 0.021) 11.090 4.726 ( -1.712 3.478 -0.106) 3.878 4.869 ( -2.000 1.340 0.163) 2.413 5.467 ( -1.857 -1.640 0.231) 2.488 5.587 ( 0.338 -1.352 0.090) 1.397 6.287 ( 0.091 -0.621 -0.266) 0.682 6.486 ( 2.036 -0.575 0.197) 2.125 6.933 ( -1.408 -3.936 -0.114) 4.182 7.018 ( 1.457 -5.088 0.098) 5.293 14.352 ( 4.987 -2.790 0.069) 5.715 14.474 ( 4.034 8.153 0.003) 9.097 15.540 ( 1.103 3.407 -0.058) 3.581 19.074 ( -4.076 6.290 0.045) 7.495 20.856 ( 4.968 -5.826 0.372) 7.665 21.946 ( 6.743 -6.349 -0.276) 9.266 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -14.405 9.179 -0.247) 17.083 3.262 ( -14.796 -7.627 -0.105) 16.646 3.981 ( -0.900 -2.661 -0.072) 2.810 4.406 ( -9.766 6.161 0.033) 11.547 4.731 ( -2.222 4.213 0.233) 4.769 4.831 ( -3.206 0.337 -0.149) 3.227 5.379 ( -5.454 -3.043 0.538) 6.268 5.552 ( -2.718 -2.640 -0.243) 3.796 6.258 ( -2.337 -2.568 -0.096) 3.473 6.531 ( 2.229 -1.138 -0.082) 2.504 6.828 ( -3.349 -4.261 1.835) 5.722 6.987 ( 1.259 -4.253 -1.665) 4.738 14.501 ( 13.651 0.115 0.067) 13.651 14.736 ( 11.334 14.882 0.011) 18.707 15.649 ( 7.025 4.257 -0.071) 8.214 19.060 ( -3.435 4.034 0.054) 5.299 20.906 ( 5.232 -2.694 0.367) 5.896 22.046 ( 10.319 -4.119 -0.246) 11.114 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -19.293 7.594 -0.307) 20.736 2.862 ( -20.281 -9.223 -0.213) 22.281 3.884 ( -5.090 -6.981 -0.103) 8.640 4.259 ( -12.531 3.664 0.124) 13.056 4.731 ( -2.872 4.427 0.445) 5.296 4.764 ( -3.874 -0.965 -0.411) 4.013 5.216 ( -9.458 -3.693 0.910) 10.194 5.418 ( -8.378 -4.689 -0.502) 9.614 6.137 ( -6.700 -5.011 -0.027) 8.367 6.426 ( -8.581 -8.296 -0.101) 11.936 6.857 ( 6.649 1.991 3.504) 7.775 7.007 ( 5.349 -0.424 -3.436) 6.372 14.826 ( 20.791 3.185 0.065) 21.034 15.144 ( 15.158 18.258 -0.011) 23.730 15.876 ( 14.040 4.050 -0.065) 14.612 19.039 ( -1.800 1.069 0.019) 2.093 20.970 ( 2.674 0.485 0.157) 2.722 22.202 ( 10.854 -3.174 0.013) 11.308 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -25.031 -8.394 -0.238) 26.402 2.447 ( -22.783 4.580 -0.350) 23.241 3.637 ( -13.103 -11.345 -0.170) 17.333 4.045 ( -14.595 1.686 0.196) 14.693 4.670 ( -4.303 -3.676 -0.295) 5.667 4.721 ( -3.402 3.960 0.356) 5.233 4.975 ( -13.969 -2.845 1.013) 14.292 5.176 ( -12.081 -5.194 -0.191) 13.152 5.936 ( -9.762 -5.951 -1.243) 11.500 6.138 ( -12.356 -9.149 1.159) 15.418 7.014 ( 7.301 1.644 1.652) 7.664 7.179 ( 12.353 4.004 -2.119) 13.158 15.274 ( 23.518 6.711 0.097) 24.457 15.618 ( 18.632 16.026 -0.116) 24.577 16.225 ( 20.573 4.221 -0.118) 21.002 19.021 ( 0.086 -1.535 -0.039) 1.538 20.989 ( -2.832 2.309 -0.304) 3.666 22.332 ( 6.879 -3.767 0.546) 7.862 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -27.418 -9.809 -0.192) 29.120 2.059 ( -26.868 4.840 -0.280) 27.302 3.168 ( -25.379 -14.405 -0.196) 29.183 3.797 ( -14.562 0.878 0.186) 14.590 4.493 ( -10.617 -9.264 0.430) 14.097 4.692 ( -4.243 2.828 0.172) 5.102 4.720 ( -11.637 1.666 0.552) 11.769 4.931 ( -9.869 -3.294 -0.062) 10.404 5.640 ( -15.589 -7.920 -1.143) 17.522 5.868 ( -9.884 -4.974 0.463) 11.075 7.161 ( 7.300 1.633 0.441) 7.494 7.469 ( 15.194 4.459 -0.794) 15.855 15.750 ( 20.144 8.990 0.161) 22.059 16.137 ( 26.073 9.933 -0.181) 27.902 16.671 ( 24.332 4.946 -0.555) 24.836 19.011 ( 1.574 -3.116 -0.085) 3.492 20.894 ( -11.048 2.332 -0.869) 11.325 22.336 ( -2.205 -5.371 0.936) 5.881 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -28.565 -7.942 0.083) 29.648 1.600 ( -29.767 3.365 -0.095) 29.956 2.476 ( -36.683 -12.025 -0.084) 38.603 3.564 ( -12.804 0.940 0.051) 12.839 4.115 ( -20.420 -7.898 0.708) 21.906 4.587 ( -5.655 1.236 -0.095) 5.790 4.652 ( -3.491 1.036 0.214) 3.648 4.776 ( -5.225 -1.130 -0.240) 5.351 5.263 ( -18.272 -5.518 0.121) 19.087 5.671 ( -8.668 -2.178 -1.652) 9.089 7.302 ( 6.700 1.239 1.158) 6.912 7.780 ( 15.460 3.020 -0.903) 15.778 16.140 ( 15.413 5.672 0.131) 16.424 16.748 ( 33.738 6.206 0.162) 34.304 17.159 ( 25.576 4.225 -1.897) 25.992 19.013 ( 2.268 -3.052 -0.093) 3.803 20.629 ( -21.150 1.434 -0.797) 21.214 22.126 ( -15.272 -6.340 -1.239) 16.582 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.000 27.980 0.971) 27.997 1.132 ( -0.000 26.241 0.111) 26.241 1.973 ( -0.000 45.113 0.242) 45.114 3.389 ( -0.000 9.025 -0.048) 9.025 3.855 ( -0.000 25.059 0.701) 25.069 4.517 ( 0.000 2.173 -0.057) 2.174 4.610 ( -0.000 1.710 0.090) 1.712 4.718 ( 0.000 2.843 -0.880) 2.976 5.034 ( -0.000 19.274 1.342) 19.321 5.496 ( 0.000 11.045 -7.901) 13.580 7.427 ( -0.000 -7.188 5.953) 9.333 7.955 ( 0.000 -14.154 -3.238) 14.520 16.322 ( 0.000 -14.715 0.150) 14.716 17.224 ( 0.000 -35.454 -0.024) 35.454 17.443 ( 0.000 -25.115 -6.662) 25.984 19.069 ( 0.000 -0.599 -0.120) 0.611 20.237 ( -0.000 27.981 -0.424) 27.984 21.774 ( 0.000 33.413 -16.720) 37.363 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 7.648 28.360 0.918) 29.387 1.602 ( 18.060 23.951 0.323) 29.999 2.475 ( 7.852 37.688 -0.013) 38.497 3.562 ( 7.006 10.718 -0.270) 12.808 4.127 ( 3.044 22.062 1.080) 22.297 4.589 ( 4.305 4.262 0.338) 6.067 4.653 ( 2.360 2.686 -0.073) 3.576 4.768 ( 1.585 5.136 -0.972) 5.462 5.273 ( 4.616 18.022 1.558) 18.669 5.625 ( 3.169 10.323 -5.067) 11.928 7.342 ( -2.392 -7.475 4.789) 9.194 7.753 ( -4.952 -14.571 -3.124) 15.703 16.142 ( -2.844 -16.119 0.166) 16.369 16.754 ( -11.639 -32.590 0.678) 34.612 17.110 ( -8.241 -22.804 -5.305) 24.821 19.012 ( -3.699 -0.442 -0.095) 3.727 20.641 ( 13.628 16.961 2.600) 21.912 22.048 ( 1.662 21.791 -10.050) 24.055 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 14.970 25.417 0.742) 29.507 2.152 ( 14.796 25.058 0.445) 29.104 2.986 ( 13.899 23.747 -0.150) 27.516 3.815 ( 7.429 13.345 -0.427) 15.279 4.396 ( 6.663 12.110 1.153) 13.870 4.729 ( 2.335 4.424 -0.386) 5.018 4.753 ( 5.184 9.738 1.054) 11.082 4.887 ( 4.779 8.325 -0.957) 9.647 5.559 ( 9.091 13.521 1.387) 16.352 5.780 ( 4.269 8.676 -3.256) 10.203 7.213 ( -4.425 -7.698 3.455) 9.528 7.493 ( -7.208 -13.342 -2.310) 15.339 15.854 ( -11.261 -19.174 0.169) 22.236 16.248 ( -12.000 -21.257 0.255) 24.412 16.685 ( -12.554 -22.119 -2.909) 25.599 18.966 ( -0.481 -0.975 -0.027) 1.087 20.964 ( 6.717 8.940 2.445) 11.446 22.209 ( 1.761 6.391 -4.867) 8.224 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 16.884 21.557 0.448) 27.385 2.615 ( 7.465 27.246 0.379) 28.253 3.418 ( 15.159 10.059 -0.149) 18.193 4.084 ( 6.460 15.118 -0.434) 16.446 4.601 ( 6.572 5.201 0.961) 8.436 4.798 ( -0.233 6.088 -0.425) 6.107 4.971 ( 5.812 11.566 1.405) 13.020 5.096 ( 7.890 10.028 -0.764) 12.783 5.857 ( 10.342 8.053 1.616) 13.206 5.947 ( 7.692 7.106 -2.867) 10.857 7.046 ( -6.142 -7.764 1.402) 9.999 7.239 ( -6.677 -11.051 -0.589) 12.924 15.371 ( -16.419 -23.301 0.036) 28.505 15.902 ( -14.628 -6.128 0.070) 15.860 16.235 ( -11.139 -21.920 -1.287) 24.621 18.975 ( 2.144 -0.191 -0.022) 2.152 21.074 ( -1.297 3.464 1.083) 3.854 22.214 ( 0.034 -6.653 -1.711) 6.869 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 15.935 16.441 0.166) 22.897 2.973 ( 1.397 27.911 0.275) 27.947 3.718 ( 11.805 2.763 -0.117) 12.125 4.335 ( 4.411 15.098 -0.386) 15.734 4.747 ( 4.587 4.146 0.761) 6.229 4.842 ( -2.608 7.561 -0.336) 8.005 5.176 ( 5.411 8.224 1.314) 9.932 5.332 ( 7.913 7.318 -0.605) 10.795 6.049 ( 6.267 4.215 0.270) 7.557 6.215 ( 13.971 4.296 -0.948) 14.647 6.856 ( -6.602 -6.735 -0.483) 9.444 7.046 ( -3.692 -8.582 0.909) 9.387 14.872 ( -13.719 -20.825 -0.033) 24.938 15.516 ( -22.676 -5.352 -0.137) 23.299 15.908 ( -5.829 -12.142 -0.283) 13.471 19.034 ( 3.049 2.634 -0.029) 4.029 21.017 ( -5.397 -2.086 0.278) 5.793 22.089 ( -1.105 -14.350 -0.408) 14.399 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 11.169 11.154 -0.058) 15.785 3.242 ( -1.070 24.865 0.168) 24.889 3.903 ( 6.932 1.952 -0.032) 7.201 4.537 ( 1.405 14.509 -0.322) 14.581 4.851 ( 1.421 5.124 0.638) 5.355 4.857 ( -4.097 7.714 -0.266) 8.739 5.330 ( 4.617 4.272 1.037) 6.376 5.491 ( 4.540 2.246 -0.529) 5.092 6.187 ( 5.506 1.432 0.118) 5.691 6.451 ( 8.720 -0.869 0.034) 8.763 6.718 ( -1.114 -2.833 -1.236) 3.285 6.942 ( 0.629 -7.038 1.018) 7.139 14.490 ( -8.052 -15.632 -0.034) 17.584 15.052 ( -21.063 -7.396 -0.033) 22.324 15.743 ( -6.214 -0.834 -0.039) 6.270 19.129 ( 1.779 7.055 -0.022) 7.276 20.870 ( -4.840 -7.806 0.093) 9.185 21.911 ( -0.015 -17.195 -0.098) 17.195 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( -0.701 14.257 -0.103) 14.275 3.441 ( 2.874 9.872 -0.027) 10.282 4.012 ( 1.307 5.244 0.056) 5.404 4.678 ( -2.041 14.511 -0.197) 14.656 4.841 ( -6.176 7.746 -0.211) 9.909 4.915 ( -0.282 4.393 0.472) 4.428 5.430 ( 3.295 1.149 0.693) 3.558 5.546 ( 1.842 -1.203 -0.330) 2.225 6.259 ( 2.372 -0.663 -0.055) 2.464 6.471 ( -0.458 -3.557 0.337) 3.602 6.783 ( 7.621 -1.437 -1.260) 7.857 6.918 ( 3.774 -6.968 0.970) 7.984 14.281 ( -1.194 -9.521 -0.012) 9.596 14.668 ( -13.975 -5.300 0.055) 14.946 15.659 ( -6.379 5.774 -0.027) 8.604 19.225 ( -1.999 11.292 -0.012) 11.467 20.719 ( 0.075 -12.086 0.218) 12.088 21.763 ( 3.402 -16.679 -0.159) 17.023 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -8.731 15.028 -0.151) 17.381 3.519 ( 0.667 -1.086 -0.082) 1.277 4.051 ( -3.797 6.471 0.051) 7.503 4.747 ( -8.774 15.273 0.027) 17.614 4.813 ( -3.030 5.588 -0.262) 6.362 4.933 ( -2.361 3.631 0.286) 4.341 5.466 ( 0.464 -1.165 0.333) 1.298 5.553 ( 1.425 -2.184 -0.007) 2.607 6.273 ( 0.653 -1.150 -0.158) 1.332 6.443 ( 1.146 -2.205 0.188) 2.492 6.867 ( 4.674 -4.030 -1.282) 6.303 6.904 ( 2.769 -8.627 1.235) 9.144 14.233 ( 3.447 -5.868 0.040) 6.806 14.504 ( -0.898 1.480 0.055) 1.732 15.632 ( -5.062 8.723 -0.060) 10.085 19.268 ( -6.808 11.800 -0.011) 13.623 20.655 ( 6.847 -11.716 0.399) 13.576 21.705 ( 8.204 -14.307 -0.281) 16.495 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -12.138 7.972 -0.222) 14.524 3.440 ( -10.029 2.271 -0.043) 10.283 4.010 ( -5.200 1.462 -0.025) 5.402 4.681 ( -11.497 9.360 -0.013) 14.825 4.845 ( -3.271 8.943 -0.009) 9.522 4.907 ( -4.018 2.305 0.068) 4.633 5.426 ( -2.795 -2.310 0.457) 3.655 5.548 ( 0.126 -2.242 -0.142) 2.250 6.258 ( -0.638 -2.337 -0.137) 2.426 6.467 ( 3.060 -1.714 0.103) 3.509 6.823 ( -1.593 -6.973 1.267) 7.264 6.884 ( 3.512 -6.822 -1.226) 7.770 14.283 ( 8.862 -3.706 0.081) 9.606 14.668 ( 11.585 9.478 0.027) 14.968 15.658 ( -1.810 8.371 -0.087) 8.564 19.225 ( -8.727 7.316 -0.001) 11.388 20.723 ( 10.424 -5.992 0.457) 12.032 21.761 ( 12.745 -11.337 -0.320) 17.061 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -15.359 -3.947 -0.181) 15.859 3.237 ( -21.229 13.311 -0.125) 25.057 3.903 ( -5.076 -5.010 -0.076) 7.133 4.543 ( -13.217 6.256 0.053) 14.623 4.839 ( -5.042 0.217 -0.215) 5.051 4.864 ( -4.695 8.244 0.244) 9.491 5.327 ( -6.123 -2.102 0.808) 6.524 5.491 ( -4.277 -2.713 -0.517) 5.091 6.186 ( -4.052 -4.080 0.086) 5.751 6.444 ( -2.898 -7.409 -0.329) 7.962 6.778 ( 3.518 -1.577 2.872) 4.807 6.891 ( 4.724 -3.525 -2.579) 6.433 14.492 ( 17.549 -0.831 0.074) 17.568 15.053 ( 16.968 14.642 0.009) 22.412 15.742 ( 3.955 4.905 -0.089) 6.302 19.129 ( -6.953 1.919 0.004) 7.213 20.874 ( 8.938 0.305 0.329) 8.949 21.909 ( 15.155 -8.562 -0.205) 17.408 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -22.446 -5.508 -0.100) 23.112 2.965 ( -24.989 12.834 -0.172) 28.092 3.719 ( -8.282 -8.749 -0.102) 12.048 4.343 ( -15.247 3.799 0.080) 15.713 4.732 ( -5.953 -1.938 -0.117) 6.261 4.850 ( -5.123 5.956 0.192) 7.858 5.170 ( -10.001 -1.145 0.950) 10.111 5.333 ( -10.035 -2.891 -0.525) 10.456 6.039 ( -7.777 -3.796 -0.342) 8.661 6.235 ( -9.112 -9.443 0.274) 13.125 6.895 ( 7.573 0.157 2.364) 7.935 6.999 ( 10.162 1.073 -2.436) 10.504 14.873 ( 24.858 1.464 0.055) 24.901 15.517 ( 15.819 17.120 -0.054) 23.310 15.911 ( 13.940 -1.055 -0.101) 13.980 19.035 ( -3.795 -1.369 -0.012) 4.034 21.014 ( 3.882 3.532 0.081) 5.249 22.096 ( 13.781 -6.128 0.018) 15.081 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -27.371 -3.681 0.032) 27.617 2.608 ( -27.401 7.351 -0.057) 28.370 3.419 ( -16.352 -7.907 -0.122) 18.164 4.091 ( -16.304 1.844 0.001) 16.408 4.588 ( -7.789 -3.044 0.179) 8.365 4.806 ( -5.094 3.003 0.063) 5.914 4.961 ( -12.999 0.063 0.734) 13.020 5.103 ( -12.269 -1.703 -0.275) 12.390 5.826 ( -12.532 -3.329 -0.665) 12.984 5.991 ( -9.367 -4.610 0.250) 10.443 7.036 ( 7.971 0.227 0.826) 8.017 7.235 ( 14.351 1.859 -0.816) 14.494 15.371 ( 28.332 2.500 0.058) 28.442 15.900 ( 12.480 9.614 -0.064) 15.754 16.250 ( 25.332 -1.033 -0.381) 25.356 18.975 ( -0.917 -1.944 -0.027) 2.150 21.057 ( -3.448 3.103 0.033) 4.639 22.241 ( 7.510 -3.712 -0.092) 8.378 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -29.707 0.108 0.340) 29.709 2.147 ( -29.149 0.120 0.186) 29.150 2.987 ( -27.560 0.067 -0.074) 27.560 3.819 ( -15.267 -0.102 -0.184) 15.268 4.385 ( -13.862 -0.120 0.477) 13.871 4.733 ( -5.013 0.001 -0.258) 5.020 4.743 ( -10.733 -0.218 0.501) 10.747 4.897 ( -9.486 -0.020 -0.392) 9.494 5.547 ( -16.620 0.403 0.483) 16.632 5.810 ( -8.782 -0.215 -1.254) 8.874 7.181 ( 7.919 0.023 1.337) 8.031 7.514 ( 15.816 0.164 -0.833) 15.839 15.853 ( 22.214 -0.067 0.065) 22.215 16.246 ( 24.221 0.091 0.089) 24.222 16.713 ( 26.592 0.084 -1.190) 26.619 18.966 ( 1.092 0.029 -0.011) 1.092 20.941 ( -12.059 0.531 0.961) 12.109 22.256 ( -3.659 -0.664 -1.979) 4.213 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.000 29.450 0.505) 29.454 1.639 ( -0.000 23.401 0.215) 23.402 2.819 ( -0.000 37.261 0.072) 37.261 3.599 ( -0.000 11.429 -0.131) 11.430 4.365 ( -0.000 23.589 1.746) 23.653 4.571 ( -0.000 3.060 -0.059) 3.061 4.645 ( -0.000 1.621 0.143) 1.628 4.814 ( 0.000 7.411 -1.029) 7.482 5.437 ( -0.000 18.800 0.748) 18.815 5.711 ( 0.000 12.939 -3.778) 13.480 7.295 ( -0.000 -7.857 4.319) 8.966 7.633 ( 0.000 -15.735 -3.027) 16.023 15.970 ( 0.000 -19.572 0.195) 19.573 16.514 ( 0.000 -33.490 0.503) 33.494 16.940 ( 0.000 -22.829 -4.357) 23.241 19.055 ( 0.000 -0.740 -0.143) 0.754 20.681 ( -0.000 15.713 1.741) 15.809 22.231 ( 0.000 16.227 -6.349) 17.425 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 5.426 28.441 0.556) 28.959 2.058 ( 17.814 20.733 0.248) 27.336 3.164 ( 0.191 29.092 -0.073) 29.093 3.796 ( 7.883 12.203 -0.264) 14.530 4.510 ( -3.024 12.757 1.099) 13.157 4.692 ( 4.434 2.602 -0.181) 5.144 4.741 ( 7.390 10.482 1.406) 12.902 4.919 ( 2.078 10.196 -1.110) 10.465 5.630 ( 1.622 15.867 0.163) 15.951 5.848 ( 0.433 13.354 -2.264) 13.551 7.202 ( -2.416 -7.869 3.442) 8.922 7.436 ( -3.416 -15.053 -2.430) 15.626 15.754 ( -2.324 -21.954 0.207) 22.078 16.136 ( -4.454 -27.820 0.121) 28.174 16.636 ( -7.434 -22.017 -2.652) 23.389 19.009 ( -3.397 0.194 -0.096) 3.404 20.902 ( 8.091 8.014 1.645) 11.506 22.307 ( -3.837 6.857 -3.562) 8.627 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 10.513 25.293 0.414) 27.394 2.611 ( 20.277 19.902 0.336) 28.414 3.415 ( 1.349 18.112 -0.173) 18.163 4.086 ( 9.559 13.260 -0.411) 16.352 4.600 ( 1.393 7.933 0.928) 8.108 4.803 ( 4.927 3.057 -0.342) 5.808 4.988 ( 6.078 11.750 1.903) 13.365 5.089 ( 4.863 11.315 -1.082) 12.363 5.822 ( 4.443 11.681 0.277) 12.501 5.976 ( 0.052 11.734 -1.628) 11.846 7.065 ( -4.640 -7.764 1.868) 9.236 7.214 ( -4.639 -12.947 -1.124) 13.799 15.373 ( -12.133 -25.869 0.058) 28.573 15.899 ( 2.241 -15.761 0.025) 15.920 16.231 ( -13.216 -20.458 -1.319) 24.391 18.974 ( -1.163 1.763 -0.031) 2.113 21.068 ( 4.460 0.764 0.999) 4.634 22.222 ( -6.885 -3.300 -1.601) 7.801 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 11.608 19.884 0.162) 23.025 3.145 ( 14.081 23.967 0.324) 27.799 3.591 ( 4.361 7.447 -0.176) 8.631 4.379 ( 7.776 13.773 -0.466) 15.823 4.720 ( 3.735 6.019 0.859) 7.135 4.915 ( 2.767 5.343 -0.339) 6.027 5.187 ( 4.066 8.858 1.785) 9.909 5.293 ( 5.973 9.052 -1.014) 10.893 6.015 ( 5.499 6.788 0.621) 8.758 6.094 ( 3.256 8.441 -1.269) 9.136 6.895 ( -5.937 -7.050 0.158) 9.218 7.019 ( -3.883 -10.291 0.241) 11.001 14.887 ( -13.281 -22.893 -0.050) 26.466 15.753 ( -13.235 -23.047 -0.607) 26.584 15.842 ( -1.307 -2.325 0.121) 2.670 19.013 ( 2.301 3.966 0.008) 4.586 21.069 ( -2.385 -4.137 0.289) 4.784 22.011 ( -7.186 -12.233 -0.466) 14.195 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 10.449 13.646 -0.035) 17.187 3.536 ( -1.005 24.774 0.104) 24.794 3.769 ( 12.070 4.032 -0.023) 12.726 4.628 ( 4.660 13.433 -0.428) 14.225 4.849 ( 3.820 5.367 0.658) 6.621 5.004 ( -0.442 8.185 -0.173) 8.198 5.320 ( 2.569 5.250 1.406) 6.012 5.452 ( 3.692 4.784 -0.903) 6.110 6.131 ( 2.775 3.459 0.151) 4.437 6.272 ( 9.424 1.714 -0.174) 9.580 6.735 ( -4.793 -4.771 -0.033) 6.763 6.873 ( -1.681 -8.429 0.093) 8.596 14.475 ( -9.522 -17.357 -0.058) 19.797 15.263 ( -16.840 -18.418 -0.172) 24.957 15.837 ( -1.508 3.901 0.076) 4.183 19.135 ( 4.926 7.381 0.037) 8.874 20.914 ( -7.734 -7.929 -0.059) 11.076 21.747 ( -4.101 -18.499 -0.025) 18.948 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( 8.052 8.325 -0.137) 11.583 3.634 ( -4.373 9.044 -0.066) 10.045 4.066 ( 5.781 17.670 0.071) 18.592 4.810 ( 1.503 11.805 -0.334) 11.905 4.954 ( 1.464 5.278 0.345) 5.488 5.065 ( -4.145 11.969 0.074) 12.666 5.396 ( 1.943 1.811 0.918) 2.810 5.511 ( 0.672 0.290 -0.610) 0.953 6.200 ( 3.016 -0.124 0.069) 3.020 6.401 ( 5.112 -3.550 0.178) 6.226 6.658 ( 1.705 -3.926 0.340) 4.294 6.795 ( 1.664 -6.811 -0.450) 7.025 14.215 ( -3.471 -10.930 -0.035) 11.468 14.815 ( -13.889 -14.813 0.017) 20.306 15.857 ( -4.847 10.643 0.028) 11.695 19.325 ( 4.717 12.169 0.045) 13.052 20.663 ( -8.191 -12.055 0.006) 14.575 21.516 ( 1.381 -21.147 -0.044) 21.192 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( 4.740 4.066 -0.149) 6.247 3.610 ( -5.047 3.775 -0.099) 6.304 4.271 ( -4.887 19.398 0.035) 20.005 4.917 ( -1.201 8.568 -0.242) 8.655 4.999 ( -2.416 5.285 0.181) 5.814 5.100 ( -8.138 15.874 0.116) 17.839 5.434 ( 1.654 -0.921 0.488) 1.955 5.502 ( 0.774 -2.857 -0.230) 2.969 6.233 ( 2.035 -1.894 0.021) 2.780 6.402 ( 0.758 -3.344 0.135) 3.432 6.687 ( 6.771 -8.510 0.523) 10.888 6.779 ( 3.238 -5.653 -0.565) 6.539 14.124 ( 1.884 -5.646 -0.004) 5.952 14.515 ( -4.814 -9.218 0.081) 10.400 15.875 ( -7.613 14.196 -0.027) 16.108 19.508 ( -2.284 16.135 -0.034) 16.296 20.436 ( 0.250 -14.926 0.304) 14.931 21.382 ( 7.702 -20.311 -0.214) 21.724 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( -5.863 -1.991 -0.092) 6.192 3.608 ( -0.744 6.255 -0.150) 6.301 4.270 ( -14.447 13.927 0.006) 20.067 4.923 ( -6.439 5.527 -0.044) 8.486 4.994 ( -3.780 4.455 -0.027) 5.843 5.099 ( -9.708 14.956 0.069) 17.830 5.432 ( -0.290 -2.030 0.382) 2.086 5.505 ( 2.261 -1.972 -0.119) 3.003 6.234 ( 0.590 -2.663 0.011) 2.728 6.397 ( 2.230 -2.638 -0.014) 3.455 6.693 ( 5.144 -11.056 0.873) 12.225 6.776 ( 2.397 -4.517 -0.782) 5.174 14.125 ( 4.022 -4.417 0.041) 5.973 14.514 ( 10.360 -0.470 0.059) 10.371 15.874 ( -8.547 13.660 -0.059) 16.113 19.506 ( -12.838 9.885 -0.093) 16.203 20.441 ( 12.977 -7.385 0.491) 14.939 21.380 ( 13.620 -16.948 -0.314) 21.745 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -11.321 -2.728 -0.096) 11.646 3.633 ( -5.706 8.425 -0.117) 10.176 4.064 ( -18.238 3.810 -0.018) 18.632 4.820 ( -10.934 4.803 0.037) 11.943 4.940 ( -5.566 1.195 -0.181) 5.696 5.068 ( -8.011 9.600 0.177) 12.504 5.389 ( -2.762 -1.355 0.550) 3.126 5.516 ( -0.586 -0.046 -0.351) 0.685 6.199 ( -1.445 -2.654 0.057) 3.023 6.392 ( 0.514 -6.053 -0.161) 6.077 6.681 ( 4.729 -5.970 1.633) 7.789 6.780 ( 3.019 -2.636 -1.429) 4.255 14.217 ( 11.219 -2.474 0.044) 11.489 14.816 ( 19.862 4.646 0.026) 20.399 15.855 ( -6.826 9.506 -0.054) 11.703 19.323 ( -12.800 1.914 -0.023) 12.942 20.671 ( 14.408 1.182 0.347) 14.460 21.511 ( 17.695 -11.831 -0.250) 21.287 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -17.204 -2.131 -0.054) 17.336 3.532 ( -21.325 13.360 -0.057) 25.165 3.769 ( -9.251 -8.324 -0.029) 12.445 4.638 ( -13.992 2.700 -0.057) 14.250 4.833 ( -6.648 -0.528 0.045) 6.669 5.010 ( -6.706 4.335 0.079) 7.985 5.305 ( -6.027 -0.559 0.644) 6.087 5.459 ( -6.011 -0.050 -0.448) 6.028 6.128 ( -4.756 -0.828 0.054) 4.828 6.274 ( -5.201 -7.078 -0.062) 8.784 6.764 ( 7.316 -1.166 1.470) 7.553 6.845 ( 6.897 -0.043 -1.409) 7.040 14.477 ( 19.794 -0.477 0.013) 19.799 15.266 ( 24.587 5.462 -0.042) 25.187 15.834 ( -2.609 3.244 -0.014) 4.163 19.135 ( -8.798 -0.607 0.006) 8.819 20.919 ( 10.375 2.597 0.110) 10.695 21.746 ( 18.431 -5.609 -0.086) 19.265 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -23.241 0.043 0.076) 23.241 3.140 ( -27.867 0.082 0.124) 27.868 3.594 ( -8.591 0.021 -0.082) 8.591 4.386 ( -15.840 -0.066 -0.196) 15.841 4.707 ( -7.180 0.087 0.344) 7.188 4.920 ( -5.926 -0.101 -0.134) 5.928 5.163 ( -9.801 -0.264 0.542) 9.820 5.306 ( -10.895 0.166 -0.257) 10.899 6.007 ( -8.964 0.386 0.200) 8.974 6.112 ( -7.978 -0.395 -0.423) 7.999 6.892 ( 8.093 -0.655 0.085) 8.120 7.015 ( 11.486 0.713 0.064) 11.509 14.888 ( 26.429 -0.021 -0.020) 26.429 15.763 ( 27.075 0.021 -0.232) 27.076 15.841 ( 2.664 0.014 0.046) 2.664 19.013 ( -4.559 0.004 0.003) 4.559 21.065 ( 4.287 0.001 0.110) 4.289 22.018 ( 14.841 -0.041 -0.178) 14.842 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -27.306 3.794 0.332) 27.570 2.611 ( -27.374 -7.191 0.309) 28.305 3.419 ( -16.322 8.000 -0.045) 18.178 4.089 ( -16.323 -1.957 -0.327) 16.443 4.590 ( -7.855 3.130 0.560) 8.474 4.803 ( -5.118 -3.176 -0.351) 6.033 4.958 ( -12.926 -0.496 0.409) 12.942 5.103 ( -12.417 1.775 -0.305) 12.547 5.839 ( -12.436 4.219 1.223) 13.189 5.978 ( -9.416 3.791 -1.791) 10.308 7.034 ( 8.526 -0.805 0.465) 8.576 7.242 ( 13.908 -1.039 0.123) 13.948 15.371 ( 28.321 -2.551 -0.019) 28.436 15.901 ( 12.528 -9.555 0.092) 15.757 16.248 ( 25.248 1.115 -0.638) 25.280 18.975 ( -0.905 1.962 0.003) 2.161 21.062 ( -3.105 -2.892 0.724) 4.305 22.234 ( 7.036 3.391 -1.127) 7.891 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -0.000 27.977 0.320) 27.979 2.080 ( -0.000 19.775 0.309) 19.778 3.454 ( -0.000 24.601 -0.047) 24.601 3.838 ( 0.000 11.773 -0.240) 11.775 4.637 ( 0.000 3.165 -0.172) 3.170 4.676 ( -0.000 1.518 0.322) 1.551 4.806 ( -0.000 18.709 2.435) 18.867 5.014 ( 0.000 12.311 -1.267) 12.376 5.776 ( 0.000 14.592 -0.573) 14.603 5.997 ( 0.000 15.740 -1.314) 15.794 7.152 ( -0.000 -7.460 2.627) 7.909 7.306 ( 0.000 -14.981 -1.694) 15.076 15.546 ( 0.000 -21.677 0.210) 21.678 15.872 ( 0.000 -29.810 0.006) 29.810 16.475 ( 0.000 -21.320 -1.849) 21.400 19.039 ( 0.000 -0.729 -0.141) 0.743 20.910 ( -0.000 6.666 1.189) 6.771 22.392 ( 0.000 2.163 -2.189) 3.077 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 5.241 25.840 0.397) 26.369 2.445 ( 15.569 17.281 0.208) 23.261 3.632 ( -3.235 17.020 -0.106) 17.325 4.043 ( 8.670 11.739 -0.311) 14.597 4.673 ( -0.184 5.141 0.417) 5.161 4.724 ( 4.522 1.177 -0.097) 4.674 5.027 ( 3.964 13.881 2.366) 14.629 5.154 ( 1.543 12.617 -1.390) 12.787 5.915 ( 0.154 12.642 -0.213) 12.645 6.136 ( -1.875 14.897 -1.155) 15.059 7.057 ( -2.628 -7.591 0.186) 8.035 7.141 ( -2.241 -12.409 0.569) 12.622 15.278 ( -6.105 -23.825 0.116) 24.595 15.615 ( 4.623 -24.092 -0.059) 24.531 16.206 ( -6.364 -19.015 -1.000) 20.077 19.018 ( -1.292 0.727 -0.097) 1.486 20.996 ( 3.438 1.212 0.760) 3.724 22.322 ( -6.757 -3.458 -1.131) 7.674 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 6.424 21.932 0.155) 22.853 2.967 ( 23.734 15.164 0.285) 28.166 3.715 ( -3.374 11.614 -0.104) 12.094 4.337 ( 10.760 11.306 -0.403) 15.613 4.743 ( 1.563 5.908 0.719) 6.153 4.849 ( 7.590 1.587 -0.282) 7.759 5.215 ( 3.353 9.201 2.058) 10.007 5.306 ( 2.733 9.903 -1.334) 10.359 6.036 ( 0.885 9.347 0.166) 9.390 6.226 ( -3.509 12.582 -0.833) 13.089 6.913 ( -3.916 -7.702 -2.040) 8.878 6.985 ( -3.945 -8.505 2.434) 9.686 14.874 ( -11.257 -22.275 -0.033) 24.958 15.514 ( 6.722 -22.208 -0.141) 23.203 15.905 ( -7.423 -11.073 -0.278) 13.334 19.034 ( 0.788 3.986 -0.029) 4.063 21.020 ( 0.931 -5.274 0.279) 5.363 22.089 ( -12.088 -8.528 -0.409) 14.799 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 6.740 15.794 -0.016) 17.172 3.533 ( 22.111 11.429 0.137) 24.891 3.768 ( -2.397 12.452 -0.011) 12.681 4.629 ( 9.183 10.811 -0.461) 14.192 4.846 ( 3.041 5.750 0.706) 6.542 5.008 ( 6.984 3.893 -0.213) 7.998 5.338 ( 1.855 5.224 1.575) 5.763 5.436 ( 3.404 5.260 -1.114) 6.364 6.132 ( 1.635 4.531 0.154) 4.819 6.271 ( -3.195 8.482 -0.158) 9.065 6.776 ( -4.214 -4.243 -1.136) 6.087 6.834 ( -4.062 -7.665 1.160) 8.753 14.476 ( -10.354 -16.880 -0.069) 19.803 15.263 ( -7.524 -23.738 -0.170) 24.902 15.836 ( 4.239 0.589 0.089) 4.281 19.135 ( 3.937 7.946 0.037) 8.868 20.919 ( -3.280 -10.327 -0.109) 10.836 21.744 ( -13.828 -13.060 0.008) 19.020 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 5.987 10.247 -0.115) 11.869 3.713 ( -0.165 -0.463 -0.047) 0.494 4.120 ( 13.330 23.003 0.071) 26.586 4.863 ( 5.371 9.616 -0.408) 11.022 4.962 ( 3.442 5.348 0.505) 6.380 5.163 ( 4.022 7.366 -0.098) 8.393 5.398 ( 0.625 1.975 1.075) 2.334 5.519 ( 1.657 2.114 -0.792) 2.800 6.180 ( 0.526 1.220 0.019) 1.328 6.295 ( 0.835 0.941 0.237) 1.280 6.652 ( -5.148 -4.716 1.663) 7.177 6.725 ( -0.532 -4.710 -1.713) 5.040 14.189 ( -6.026 -10.353 -0.057) 11.979 14.861 ( -11.427 -19.752 -0.011) 22.819 15.968 ( 4.399 7.523 0.070) 8.716 19.334 ( 6.997 12.056 0.101) 13.940 20.704 ( -7.599 -12.454 -0.279) 14.592 21.369 ( -9.983 -17.817 0.150) 20.424 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 4.579 5.957 -0.151) 7.515 3.677 ( -2.255 -1.444 -0.014) 2.678 4.517 ( 4.081 22.408 -0.037) 22.776 5.007 ( 1.085 7.875 -0.164) 7.951 5.063 ( 1.249 5.042 0.145) 5.196 5.299 ( 2.276 8.747 -0.033) 9.038 5.413 ( 0.298 -0.373 0.678) 0.829 5.522 ( -3.989 2.272 -0.438) 4.611 6.184 ( 0.470 -1.330 0.052) 1.412 6.321 ( 3.653 -4.434 0.068) 5.745 6.536 ( -0.620 -7.423 1.319) 7.564 6.689 ( 1.058 -3.467 -1.215) 3.823 14.061 ( -0.422 -3.938 -0.039) 3.961 14.501 ( -8.113 -15.133 0.070) 17.170 16.106 ( -0.945 12.224 0.018) 12.261 19.617 ( 8.072 16.181 0.108) 18.083 20.409 ( -11.015 -12.048 -0.095) 16.324 21.072 ( 0.266 -21.881 -0.006) 21.882 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( -0.732 1.637 -0.124) 1.797 3.631 ( 0.030 -0.289 -0.024) 0.292 4.675 ( -10.038 17.444 -0.056) 20.126 5.061 ( -2.993 5.762 -0.048) 6.493 5.096 ( -2.683 4.025 0.007) 4.837 5.395 ( 0.376 0.456 0.291) 0.659 5.432 ( -5.011 -1.149 -0.271) 5.148 5.442 ( -0.908 10.156 0.165) 10.197 6.182 ( 1.702 -2.829 0.146) 3.305 6.325 ( 2.549 -5.032 -0.251) 5.647 6.494 ( 4.341 -8.482 0.983) 9.579 6.684 ( 2.659 -3.412 -0.714) 4.384 14.057 ( 0.679 -1.023 -0.019) 1.228 14.330 ( 4.588 -8.099 0.081) 9.309 16.162 ( -7.016 12.088 -0.017) 13.977 19.846 ( -9.124 14.853 -0.209) 17.433 20.177 ( 5.384 -7.983 0.463) 9.640 20.958 ( 11.562 -20.383 -0.221) 23.435 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -7.450 -0.905 -0.074) 7.506 3.676 ( 2.447 1.283 -0.044) 2.764 4.517 ( -21.547 7.753 -0.031) 22.900 5.017 ( -7.048 3.173 0.047) 7.729 5.051 ( -5.395 1.271 -0.100) 5.543 5.302 ( -8.958 2.853 0.033) 9.401 5.400 ( 0.092 -1.104 0.285) 1.144 5.530 ( 0.285 4.737 -0.155) 4.748 6.186 ( 0.822 -1.011 0.093) 1.306 6.312 ( 1.938 -5.383 -0.138) 5.723 6.520 ( 6.377 -4.565 0.768) 7.880 6.708 ( 2.945 -1.569 -0.595) 3.389 14.063 ( 3.644 -1.611 0.002) 3.984 14.500 ( 17.198 -0.581 0.039) 17.208 16.104 ( -10.174 6.943 -0.012) 12.317 19.611 ( -17.872 1.051 -0.023) 17.903 20.421 ( 15.869 3.588 0.209) 16.271 21.066 ( 18.746 -11.224 -0.160) 21.850 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( -11.948 0.025 -0.047) 11.948 3.714 ( 0.578 0.037 -0.024) 0.579 4.119 ( -26.757 0.019 0.032) 26.757 4.874 ( -10.968 -0.108 -0.239) 10.971 4.949 ( -6.544 0.170 0.280) 6.552 5.166 ( -8.325 -0.084 -0.048) 8.326 5.376 ( -2.495 -0.141 0.349) 2.523 5.535 ( -2.335 0.112 -0.232) 2.349 6.179 ( -1.430 -0.051 0.024) 1.431 6.290 ( -1.055 0.097 0.094) 1.064 6.623 ( 7.421 -0.520 0.413) 7.450 6.755 ( 3.632 0.431 -0.440) 3.684 14.191 ( 11.987 -0.017 -0.023) 11.987 14.861 ( 22.971 -0.008 -0.005) 22.971 15.966 ( -8.759 0.020 0.029) 8.759 19.332 ( -13.850 0.013 0.042) 13.850 20.710 ( 14.428 -0.148 -0.116) 14.429 21.365 ( 20.512 0.111 0.063) 20.512 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -17.182 2.193 0.037) 17.321 3.533 ( -21.277 -13.291 0.138) 25.087 3.769 ( -9.268 8.381 -0.001) 12.496 4.636 ( -13.983 -2.749 -0.323) 14.254 4.836 ( -6.667 0.659 0.508) 6.719 5.008 ( -6.724 -4.460 -0.219) 8.071 5.302 ( -6.074 0.128 0.276) 6.082 5.462 ( -5.970 0.367 -0.090) 5.982 6.128 ( -4.612 0.764 0.087) 4.675 6.274 ( -5.448 7.203 -0.048) 9.031 6.746 ( 7.081 -0.480 -1.094) 7.181 6.862 ( 7.252 1.581 1.047) 7.496 14.477 ( 19.792 0.442 -0.058) 19.797 15.266 ( 24.575 -5.458 -0.090) 25.174 15.835 ( -2.609 -3.208 0.073) 4.136 19.135 ( -8.807 0.607 0.022) 8.828 20.917 ( 10.467 -2.739 -0.154) 10.821 21.747 ( 18.337 5.697 0.066) 19.202 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -22.374 5.564 0.206) 23.056 2.969 ( -24.926 -12.759 0.316) 28.004 3.719 ( -8.271 8.801 -0.028) 12.078 4.340 ( -15.278 -3.791 -0.349) 15.745 4.737 ( -5.937 1.960 0.623) 6.283 4.847 ( -5.170 -6.007 -0.365) 7.934 5.165 ( -9.982 0.788 0.226) 10.016 5.336 ( -10.184 3.063 -0.036) 10.635 6.044 ( -7.189 3.569 0.449) 8.039 6.227 ( -9.849 9.698 -0.840) 13.848 6.869 ( 8.416 -1.508 -1.553) 8.690 7.028 ( 9.618 0.265 1.888) 9.806 14.873 ( 24.863 -1.482 -0.063) 24.908 15.517 ( 15.884 -17.082 -0.056) 23.326 15.911 ( 13.819 1.072 -0.132) 13.861 19.035 ( -3.790 1.358 -0.012) 4.026 21.014 ( 4.146 -3.599 0.139) 5.492 22.094 ( 13.455 6.157 -0.301) 14.799 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -0.000 15.550 0.345) 15.554 2.598 ( -0.000 24.894 0.215) 24.895 3.821 ( -0.000 12.119 -0.084) 12.119 4.063 ( 0.000 10.147 -0.281) 10.150 4.675 ( 0.000 0.751 -0.522) 0.914 4.729 ( -0.000 3.371 0.689) 3.441 5.141 ( -0.000 13.080 2.252) 13.273 5.269 ( 0.000 12.419 -1.368) 12.494 6.043 ( -0.000 11.767 0.017) 11.767 6.303 ( 0.000 14.150 -1.101) 14.193 6.981 ( 0.000 -10.683 -3.414) 11.215 7.073 ( -0.000 -6.033 4.042) 7.262 15.112 ( 0.000 -20.545 0.192) 20.546 15.303 ( 0.000 -25.961 -0.124) 25.961 16.069 ( 0.000 -17.769 -0.629) 17.781 19.025 ( 0.000 -0.585 -0.123) 0.598 20.986 ( -0.000 1.092 0.523) 1.211 22.338 ( 0.000 -5.802 -0.667) 5.840 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 16.159 12.773 0.298) 20.600 2.861 ( 2.255 22.188 0.154) 22.303 3.879 ( -3.452 8.005 -0.060) 8.718 4.255 ( 9.360 8.990 -0.282) 12.980 4.726 ( 5.188 0.318 -0.444) 5.217 4.776 ( 1.299 3.794 0.660) 4.064 5.274 ( 1.193 9.276 1.648) 9.497 5.385 ( 0.171 9.839 -1.026) 9.894 6.141 ( -0.994 8.967 0.160) 9.024 6.410 ( -2.653 11.705 -0.600) 12.017 6.859 ( -1.158 -8.761 -3.233) 9.410 7.009 ( -3.509 -2.713 3.408) 5.593 14.828 ( -7.765 -19.655 0.027) 21.133 15.143 ( 8.253 -22.131 -0.032) 23.620 15.868 ( -3.340 -13.784 -0.269) 14.185 19.037 ( 1.872 1.090 -0.086) 2.168 20.980 ( -1.032 -2.460 0.237) 2.679 22.195 ( -8.134 -7.807 -0.283) 11.278 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 4.449 15.064 0.014) 15.707 3.239 ( 21.851 11.677 0.203) 24.777 3.901 ( -1.689 7.052 0.008) 7.251 4.536 ( 11.875 8.327 -0.322) 14.507 4.843 ( 4.667 2.833 0.340) 5.470 4.869 ( 7.713 1.340 -0.003) 7.829 5.371 ( 0.813 5.490 1.032) 5.645 5.463 ( -0.128 5.683 -0.675) 5.725 6.191 ( -1.532 5.355 0.101) 5.571 6.440 ( -4.841 7.197 0.117) 8.675 6.765 ( -1.390 -3.690 -2.774) 4.821 6.902 ( -6.993 -1.540 2.472) 7.576 14.493 ( -9.558 -14.767 -0.060) 17.591 15.052 ( 4.127 -21.850 -0.035) 22.237 15.740 ( 2.477 -5.794 -0.002) 6.301 19.129 ( 5.200 5.077 -0.022) 7.268 20.881 ( -4.468 -7.747 -0.039) 8.943 21.904 ( -14.850 -8.915 -0.012) 17.320 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 3.308 11.099 -0.064) 11.581 3.630 ( 10.121 0.681 0.024) 10.143 4.066 ( 12.411 13.872 0.085) 18.614 4.810 ( 9.615 7.150 -0.369) 11.987 4.950 ( 3.884 3.929 0.490) 5.546 5.071 ( 12.212 2.357 -0.062) 12.438 5.418 ( -0.141 2.362 0.659) 2.457 5.496 ( 0.352 1.105 -0.504) 1.265 6.202 ( -1.559 2.409 0.036) 2.869 6.395 ( -5.612 2.853 0.289) 6.302 6.713 ( -2.323 -0.928 -2.054) 3.237 6.746 ( -8.693 -1.577 1.791) 9.015 14.217 ( -7.797 -8.452 -0.069) 11.499 14.816 ( -5.895 -19.374 -0.003) 20.251 15.855 ( 11.726 1.096 0.069) 11.777 19.324 ( 8.169 10.092 0.062) 12.984 20.674 ( -6.601 -12.795 -0.259) 14.399 21.509 ( -18.846 -9.589 0.148) 21.145 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 2.945 6.897 -0.101) 7.500 3.676 ( 0.009 -2.716 0.037) 2.716 4.516 ( 17.388 14.700 -0.006) 22.769 5.009 ( 6.250 4.866 -0.272) 7.926 5.059 ( 3.884 3.610 0.318) 5.312 5.300 ( 6.366 6.322 -0.095) 8.972 5.419 ( -1.175 0.086 0.499) 1.279 5.518 ( 4.418 -2.227 -0.352) 4.960 6.187 ( -1.435 -0.133 -0.052) 1.442 6.315 ( -5.436 0.652 0.274) 5.481 6.557 ( -7.797 -3.833 0.734) 8.720 6.673 ( -2.141 -0.971 -0.827) 2.492 14.062 ( -3.252 -2.336 -0.053) 4.004 14.502 ( -9.088 -14.542 0.040) 17.148 16.105 ( 11.119 5.277 0.040) 12.308 19.615 ( 10.073 14.894 0.171) 17.981 20.417 ( -5.419 -15.135 -0.395) 16.081 21.067 ( -18.761 -10.927 0.201) 21.712 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 2.431 4.048 -0.099) 4.723 3.627 ( -1.710 -2.960 0.053) 3.419 4.873 ( 6.086 10.436 -0.038) 12.081 5.127 ( 1.969 3.608 -0.056) 4.111 5.144 ( 1.488 2.258 0.043) 2.704 5.372 ( -0.187 0.475 -0.066) 0.514 5.395 ( -0.304 -1.126 0.159) 1.177 5.613 ( 2.317 4.038 -0.046) 4.656 6.158 ( -0.634 -0.561 -0.040) 0.848 6.225 ( -2.045 -4.190 0.131) 4.664 6.428 ( -2.477 -2.895 0.390) 3.830 6.634 ( -0.238 -1.422 -0.375) 1.490 14.057 ( 1.870 3.182 -0.046) 3.691 14.235 ( -5.926 -10.134 0.059) 11.740 16.296 ( 3.105 5.361 0.007) 6.195 19.958 ( 9.570 16.042 0.250) 18.681 20.198 ( -5.776 -8.925 -0.319) 10.635 20.677 ( -7.942 -14.268 0.069) 16.330 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( -4.660 0.047 -0.055) 4.660 3.625 ( 3.495 -0.004 0.029) 3.495 4.874 ( -11.998 0.028 -0.020) 11.998 5.131 ( -3.715 -0.139 -0.098) 3.719 5.140 ( -3.139 0.174 0.094) 3.145 5.376 ( 1.061 -0.371 -0.098) 1.128 5.387 ( -0.630 0.315 0.146) 0.719 5.615 ( -4.364 -0.008 -0.029) 4.364 6.160 ( 0.872 -0.147 -0.015) 0.885 6.220 ( 4.326 0.170 0.058) 4.329 6.413 ( 2.547 -0.321 0.211) 2.576 6.648 ( 2.519 0.225 -0.195) 2.536 14.059 ( -3.705 0.016 -0.025) 3.705 14.233 ( 11.730 -0.036 0.032) 11.730 16.296 ( -6.229 0.005 0.004) 6.229 19.949 ( -18.392 0.128 0.123) 18.393 20.210 ( 10.576 -0.278 -0.160) 10.581 20.674 ( 16.093 0.141 0.038) 16.094 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -7.452 0.948 -0.047) 7.513 3.677 ( 2.453 -1.226 0.044) 2.743 4.518 ( -21.546 -7.729 0.011) 22.890 5.014 ( -7.097 -3.137 -0.306) 7.765 5.055 ( -5.316 -1.265 0.366) 5.476 5.301 ( -8.956 -2.825 -0.104) 9.392 5.399 ( 0.000 0.849 0.204) 0.873 5.531 ( 0.346 -4.644 -0.138) 4.659 6.185 ( 0.873 0.983 -0.072) 1.317 6.315 ( 1.883 5.516 0.274) 5.835 6.515 ( 6.355 3.967 0.052) 7.492 6.711 ( 2.988 1.984 -0.201) 3.592 14.063 ( 3.631 1.593 -0.041) 3.965 14.500 ( 17.204 0.554 0.014) 17.213 16.105 ( -10.162 -6.918 0.036) 12.294 19.613 ( -17.932 -0.988 0.139) 17.960 20.417 ( 15.922 -3.829 -0.385) 16.381 21.069 ( 18.743 11.368 0.218) 21.922 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -11.295 2.781 -0.008) 11.632 3.634 ( -5.691 -8.368 0.062) 10.120 4.065 ( -18.221 -3.818 0.074) 18.617 4.817 ( -10.922 -4.701 -0.333) 11.896 4.945 ( -5.523 -1.246 0.492) 5.683 5.066 ( -8.102 -9.638 -0.129) 12.591 5.386 ( -2.822 1.117 0.079) 3.036 5.518 ( -0.485 0.150 -0.044) 0.509 6.199 ( -1.457 2.692 -0.007) 3.061 6.395 ( 0.567 6.050 0.330) 6.086 6.664 ( 3.818 5.103 -0.970) 6.446 6.794 ( 3.879 3.446 0.657) 5.229 14.216 ( 11.211 2.452 -0.071) 11.476 14.815 ( 19.856 -4.652 -0.013) 20.394 15.856 ( -6.814 -9.485 0.075) 11.679 19.324 ( -12.840 -1.924 0.058) 12.984 20.667 ( 14.477 -1.262 -0.339) 14.536 21.514 ( 17.651 11.883 0.213) 21.279 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -15.313 4.077 0.089) 15.846 3.239 ( -21.137 -13.380 0.209) 25.016 3.903 ( -5.087 5.024 0.025) 7.149 4.541 ( -13.256 -6.155 -0.278) 14.618 4.844 ( -5.120 -0.544 0.509) 5.174 4.861 ( -4.631 -8.042 -0.255) 9.283 5.322 ( -6.185 1.971 0.136) 6.492 5.494 ( -4.188 2.735 0.016) 5.002 6.186 ( -4.053 4.080 0.024) 5.751 6.449 ( -3.082 7.625 0.304) 8.230 6.742 ( 3.037 1.273 -2.434) 4.095 6.922 ( 5.380 3.618 2.031) 6.794 14.491 ( 17.553 0.826 -0.076) 17.573 15.052 ( 16.970 -14.614 -0.030) 22.395 15.743 ( 3.919 -4.913 0.035) 6.285 19.129 ( -6.970 -1.947 -0.018) 7.237 20.870 ( 9.068 -0.350 -0.166) 9.076 21.911 ( 15.018 8.602 0.075) 17.307 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -0.000 10.785 0.298) 10.790 3.062 ( -0.000 20.385 0.121) 20.386 3.977 ( -0.000 3.929 -0.015) 3.929 4.239 ( 0.000 7.168 -0.176) 7.170 4.678 ( 0.000 -0.021 -0.521) 0.522 4.801 ( -0.000 3.157 0.587) 3.211 5.356 ( -0.000 7.581 1.077) 7.657 5.474 ( 0.000 7.666 -0.646) 7.693 6.227 ( -0.000 5.577 0.127) 5.579 6.533 ( -0.000 6.934 0.151) 6.936 6.792 ( 0.000 -3.706 -3.107) 4.836 7.041 ( -0.000 0.680 2.629) 2.716 14.735 ( 0.000 -16.111 0.144) 16.112 14.829 ( 0.000 -20.215 -0.120) 20.216 15.759 ( 0.000 -12.403 -0.145) 12.404 19.015 ( 0.000 -0.374 -0.096) 0.386 20.981 ( -0.000 -1.296 0.121) 1.301 22.190 ( 0.000 -7.760 -0.126) 7.761 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 14.989 7.818 0.215) 16.906 3.260 ( 0.860 16.568 0.056) 16.590 3.979 ( -1.801 2.265 0.028) 2.894 4.402 ( 10.080 5.554 -0.116) 11.509 4.720 ( 4.996 -0.496 -0.391) 5.036 4.848 ( 1.804 2.765 0.448) 3.332 5.423 ( -0.108 5.041 0.592) 5.077 5.528 ( -0.914 4.643 -0.382) 4.748 6.257 ( -0.958 2.543 0.093) 2.719 6.542 ( -2.254 -0.411 0.336) 2.316 6.782 ( -1.355 4.051 -2.297) 4.850 7.020 ( -4.735 1.845 1.775) 5.382 14.503 ( -6.780 -11.902 -0.026) 13.697 14.737 ( 7.238 -17.184 0.015) 18.646 15.646 ( 0.242 -8.075 -0.025) 8.079 19.059 ( 5.205 1.034 -0.064) 5.307 20.920 ( -5.049 -3.033 -0.033) 5.890 22.037 ( -8.671 -7.014 0.018) 11.152 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 12.762 6.560 0.085) 14.349 3.439 ( 6.987 7.332 0.011) 10.128 4.012 ( 3.979 3.894 0.058) 5.568 4.675 ( 13.437 5.514 -0.125) 14.525 4.838 ( 9.900 -1.715 -0.108) 10.048 4.923 ( 3.911 2.159 0.246) 4.474 5.454 ( -0.813 2.593 0.236) 2.728 5.534 ( -2.063 1.863 -0.202) 2.787 6.255 ( -1.446 1.350 0.078) 1.980 6.478 ( -3.235 -1.763 0.141) 3.687 6.782 ( -3.556 4.245 -1.345) 5.699 6.916 ( -9.130 1.304 1.115) 9.290 14.283 ( -7.684 -5.798 -0.065) 9.627 14.670 ( 2.425 -14.701 0.020) 14.899 15.656 ( 8.225 -2.629 0.042) 8.635 19.225 ( 10.686 3.896 -0.008) 11.374 20.735 ( -10.584 -5.810 -0.171) 12.075 21.752 ( -16.076 -5.519 0.116) 16.997 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 1.216 6.142 -0.022) 6.261 3.605 ( 5.923 -2.535 0.075) 6.443 4.271 ( 19.109 5.498 0.019) 19.885 4.914 ( 8.213 3.004 -0.122) 8.746 5.000 ( 5.805 0.915 0.149) 5.878 5.103 ( 17.508 0.772 0.016) 17.525 5.449 ( -1.644 0.659 -0.024) 1.771 5.496 ( -3.039 -0.389 -0.039) 3.064 6.234 ( -2.345 0.788 0.010) 2.474 6.402 ( -3.795 -0.849 0.105) 3.890 6.721 ( -9.088 1.295 -1.284) 9.269 6.746 ( -7.837 0.160 1.166) 7.924 14.125 ( -5.889 -1.224 -0.045) 6.015 14.517 ( -5.580 -8.722 0.003) 10.354 15.873 ( 16.163 0.511 0.039) 16.171 19.505 ( 14.989 6.005 0.068) 16.147 20.451 ( -13.127 -7.132 -0.260) 14.941 21.373 ( -21.333 -3.514 0.152) 21.621 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 1.793 0.075 0.049) 1.795 3.630 ( -0.110 -0.049 0.013) 0.121 4.674 ( 20.085 0.012 0.022) 20.085 5.059 ( 6.649 0.109 0.038) 6.650 5.097 ( 4.646 -0.118 -0.023) 4.647 5.404 ( 2.499 0.489 -0.177) 2.553 5.426 ( -3.317 -1.621 0.123) 3.694 5.444 ( 11.590 1.102 -0.018) 11.643 6.185 ( -3.242 0.024 -0.062) 3.243 6.319 ( -5.810 -0.122 0.097) 5.812 6.519 ( -10.062 -0.258 -0.523) 10.079 6.664 ( -3.621 0.302 0.418) 3.658 14.057 ( -1.281 0.031 0.007) 1.281 14.332 ( -9.320 -0.031 -0.033) 9.320 16.162 ( 14.015 -0.013 0.007) 14.015 19.841 ( 17.257 -0.188 0.084) 17.258 20.187 ( -9.655 0.271 -0.191) 9.661 20.953 ( -23.269 -0.075 0.094) 23.270 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 2.449 -4.005 0.141) 4.697 3.626 ( -1.729 2.985 -0.075) 3.450 4.873 ( 6.086 -10.393 0.054) 12.044 5.128 ( 1.820 -3.534 0.122) 3.977 5.143 ( 1.671 -2.334 -0.108) 2.872 5.373 ( -0.585 -0.284 0.130) 0.663 5.392 ( 0.139 0.770 -0.258) 0.824 5.614 ( 2.249 -3.933 0.070) 4.531 6.159 ( -0.745 0.526 0.049) 0.914 6.223 ( -1.865 4.137 -0.172) 4.541 6.421 ( -2.395 2.312 -0.550) 3.374 6.640 ( -0.375 1.959 0.520) 2.062 14.058 ( 1.884 -3.181 0.065) 3.697 14.234 ( -5.948 10.116 -0.084) 11.736 16.296 ( 3.116 -5.372 -0.009) 6.210 19.954 ( 9.578 -15.874 -0.338) 18.543 20.204 ( -5.936 8.790 0.436) 10.616 20.676 ( -7.798 14.235 -0.098) 16.231 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -0.824 -1.581 0.052) 1.783 3.631 ( 0.122 0.311 0.008) 0.335 4.676 ( -10.061 -17.449 0.023) 20.142 5.061 ( -3.103 -5.618 0.011) 6.418 5.096 ( -2.567 -4.185 0.007) 4.909 5.393 ( 0.256 0.069 -0.110) 0.288 5.436 ( -5.129 0.985 0.260) 5.229 5.439 ( -0.674 -10.604 -0.228) 10.628 6.180 ( 1.679 2.857 -0.060) 3.314 6.327 ( 2.675 4.893 0.107) 5.578 6.484 ( 4.539 8.233 -0.379) 9.409 6.691 ( 2.426 3.732 0.265) 4.459 14.057 ( 0.629 1.026 0.008) 1.203 14.329 ( 4.624 8.073 -0.034) 9.304 16.162 ( -6.992 -12.084 0.007) 13.961 19.848 ( -8.925 -15.057 0.088) 17.504 20.172 ( 5.041 8.168 -0.192) 9.600 20.960 ( 11.687 20.388 0.091) 23.500 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( -5.862 2.028 -0.022) 6.203 3.610 ( -0.737 -6.217 0.073) 6.261 4.270 ( -14.433 -13.965 0.022) 20.083 4.922 ( -6.590 -5.372 -0.167) 8.504 4.995 ( -3.560 -4.610 0.186) 5.827 5.099 ( -9.773 -15.008 0.026) 17.910 5.429 ( -0.282 2.000 -0.032) 2.020 5.505 ( 2.263 1.943 -0.036) 2.983 6.233 ( 0.647 2.746 -0.015) 2.821 6.398 ( 2.265 2.423 0.148) 3.320 6.685 ( 4.763 10.969 -0.348) 11.963 6.783 ( 2.719 4.746 0.216) 5.474 14.125 ( 3.985 4.418 -0.044) 5.950 14.514 ( 10.381 0.453 0.003) 10.391 15.875 ( -8.520 -13.654 0.039) 16.095 19.507 ( -12.875 -9.947 0.068) 16.270 20.436 ( 12.945 7.433 -0.256) 14.930 21.383 ( 13.662 16.943 0.147) 21.765 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( -12.068 -7.869 0.084) 14.407 3.441 ( -10.036 -2.354 0.012) 10.309 4.011 ( -5.168 -1.472 0.057) 5.374 4.680 ( -11.525 -9.238 -0.135) 14.771 4.844 ( -3.467 -9.026 -0.188) 9.671 4.909 ( -3.821 -2.388 0.336) 4.519 5.424 ( -2.837 2.322 0.137) 3.668 5.549 ( 0.212 2.157 -0.103) 2.170 6.259 ( -0.648 2.431 0.035) 2.516 6.467 ( 3.181 1.496 0.192) 3.521 6.803 ( -2.078 7.595 -1.674) 8.050 6.902 ( 3.867 6.360 1.436) 7.581 14.282 ( 8.850 3.710 -0.065) 9.596 14.668 ( 11.592 -9.468 0.020) 14.967 15.658 ( -1.806 -8.383 0.042) 8.575 19.225 ( -8.759 -7.353 -0.008) 11.437 20.719 ( 10.444 6.015 -0.167) 12.053 21.764 ( 12.732 11.336 0.112) 17.048 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -0.000 5.526 0.179) 5.528 3.413 ( -0.000 13.437 0.039) 13.437 4.002 ( -0.000 -0.975 0.047) 0.976 4.349 ( -0.000 3.625 -0.030) 3.625 4.674 ( 0.000 -0.118 -0.299) 0.322 4.855 ( -0.000 1.850 0.249) 1.867 5.469 ( -0.000 3.394 0.299) 3.407 5.575 ( 0.000 2.845 -0.270) 2.858 6.278 ( -0.000 0.333 0.133) 0.359 6.537 ( 0.000 -2.851 -0.009) 2.851 6.854 ( 0.000 6.448 -1.155) 6.551 7.089 ( -0.000 2.219 1.007) 2.437 14.477 ( 0.000 -8.884 0.074) 8.884 14.502 ( 0.000 -11.328 -0.080) 11.328 15.568 ( 0.000 -6.253 0.002) 6.253 19.009 ( 0.000 -0.165 -0.063) 0.177 20.951 ( 0.000 -1.276 -0.100) 1.280 22.052 ( 0.000 -5.142 0.082) 5.143 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 14.413 2.626 0.106) 14.651 3.509 ( -1.253 6.978 0.015) 7.090 3.990 ( 0.762 -0.458 0.034) 0.889 4.478 ( 10.893 1.909 -0.009) 11.059 4.709 ( 4.081 -0.289 -0.058) 4.092 4.887 ( 1.995 0.942 0.023) 2.207 5.489 ( -0.567 1.486 0.040) 1.591 5.583 ( -1.423 1.215 -0.148) 1.877 6.275 ( -0.338 -0.024 0.156) 0.373 6.499 ( -1.582 -1.634 -0.102) 2.277 6.884 ( -2.634 3.759 -0.346) 4.603 7.062 ( -5.196 1.100 0.320) 5.320 14.354 ( -4.923 -2.889 -0.049) 5.709 14.476 ( 5.081 -7.593 0.018) 9.136 15.537 ( 2.400 -2.639 0.028) 3.567 19.075 ( 7.428 0.442 -0.035) 7.441 20.872 ( -7.576 -1.288 -0.180) 7.687 21.934 ( -8.825 -2.763 0.138) 9.248 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( 17.287 -0.026 0.083) 17.287 3.516 ( -1.301 0.018 0.043) 1.301 4.053 ( 7.561 -0.028 -0.028) 7.561 4.748 ( 17.580 0.022 -0.014) 17.580 4.803 ( 6.589 0.072 0.151) 6.591 4.944 ( 4.065 -0.105 -0.165) 4.070 5.480 ( -1.278 -0.127 -0.211) 1.301 5.551 ( -2.785 0.107 0.039) 2.787 6.266 ( -0.928 -0.025 0.101) 0.934 6.452 ( -2.711 -0.037 -0.136) 2.715 6.837 ( -4.861 0.473 0.325) 4.895 6.932 ( -9.748 -0.414 -0.283) 9.761 14.234 ( -6.846 0.027 -0.022) 6.846 14.506 ( 1.776 -0.020 -0.030) 1.777 15.630 ( 10.105 -0.012 0.033) 10.105 19.268 ( 13.504 0.002 0.006) 13.504 20.671 ( -13.615 0.039 -0.221) 13.617 21.695 ( -16.420 -0.027 0.157) 16.421 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 1.237 -6.110 0.123) 6.235 3.605 ( 5.909 2.529 0.046) 6.427 4.271 ( 19.143 -5.534 -0.036) 19.927 4.917 ( 8.190 -2.820 0.279) 8.666 4.998 ( 5.787 -1.122 -0.238) 5.900 5.102 ( 17.529 -0.800 -0.103) 17.547 5.445 ( -1.659 -0.904 -0.463) 1.945 5.498 ( -2.989 0.601 0.298) 3.063 6.234 ( -2.340 -0.809 -0.010) 2.476 6.400 ( -3.807 0.692 -0.172) 3.873 6.723 ( -12.122 -0.599 -1.134) 12.190 6.746 ( -4.835 -0.716 1.226) 5.039 14.126 ( -5.885 1.261 0.021) 6.019 14.516 ( -5.585 8.707 -0.063) 10.345 15.873 ( 16.158 -0.543 0.004) 16.167 19.505 ( 14.936 -6.055 -0.002) 16.116 20.451 ( -13.038 7.291 -0.130) 14.938 21.373 ( -21.366 3.429 0.106) 21.640 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 2.964 -6.887 0.157) 7.499 3.676 ( -0.013 2.748 -0.002) 2.748 4.517 ( 17.443 -14.730 0.028) 22.830 5.013 ( 6.217 -4.721 0.343) 7.814 5.055 ( 3.919 -3.791 -0.352) 5.464 5.302 ( 6.605 -6.316 0.079) 9.139 5.411 ( -1.183 -0.307 -0.700) 1.408 5.524 ( 4.240 2.412 0.453) 4.900 6.187 ( -1.363 0.138 -0.030) 1.371 6.312 ( -5.487 -0.751 -0.165) 5.541 6.542 ( -7.767 3.296 -1.333) 8.541 6.688 ( -2.259 1.537 1.297) 3.024 14.062 ( -3.249 2.343 0.051) 4.006 14.501 ( -9.106 14.558 -0.069) 17.172 16.105 ( 11.126 -5.303 -0.031) 12.325 19.613 ( 9.987 -14.872 -0.151) 17.915 20.421 ( -5.267 15.213 0.234) 16.101 21.065 ( -18.833 10.839 -0.079) 21.729 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( 4.576 -5.962 0.140) 7.517 3.677 ( -2.255 1.497 -0.021) 2.707 4.518 ( 4.088 -22.470 0.018) 22.838 5.010 ( 0.971 -7.790 0.297) 7.856 5.059 ( 1.406 -5.127 -0.326) 5.327 5.300 ( 2.148 -8.973 0.100) 9.227 5.405 ( 0.477 0.280 -0.590) 0.809 5.527 ( -4.088 -2.060 0.372) 4.593 6.184 ( 0.412 1.291 0.017) 1.355 6.319 ( 3.828 4.424 -0.247) 5.855 6.521 ( -0.276 7.307 -0.853) 7.362 6.704 ( 0.665 3.651 0.885) 3.815 14.062 ( -0.434 3.931 0.057) 3.956 14.500 ( -8.129 15.155 -0.059) 17.198 16.105 ( -0.918 -12.236 -0.038) 12.270 19.615 ( 8.130 -16.097 -0.175) 18.034 20.412 ( -11.265 11.915 0.338) 16.401 21.071 ( 0.438 21.929 -0.148) 21.934 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 4.707 -4.059 0.079) 6.216 3.610 ( -5.016 -3.748 -0.015) 6.262 4.270 ( -4.889 -19.464 -0.031) 20.069 4.920 ( -1.273 -8.448 0.224) 8.546 4.997 ( -2.317 -5.338 -0.213) 5.823 5.099 ( -8.120 -15.964 -0.069) 17.911 5.429 ( 1.820 0.791 -0.161) 1.991 5.505 ( 0.593 2.914 0.106) 2.975 6.233 ( 2.061 1.943 0.006) 2.832 6.399 ( 0.867 3.197 -0.173) 3.317 6.684 ( 7.073 9.307 0.057) 11.690 6.783 ( 2.865 4.993 0.062) 5.757 14.125 ( 1.850 5.650 0.036) 5.945 14.514 ( -4.808 9.219 -0.036) 10.398 15.875 ( -7.578 -14.198 -0.019) 16.094 19.508 ( -2.211 -16.141 -0.039) 16.292 20.435 ( 0.045 14.927 0.070) 14.927 21.384 ( 7.803 20.313 -0.024) 21.760 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( -8.698 -15.066 -0.000) 17.397 3.519 ( 0.635 1.099 -0.000) 1.269 4.051 ( -3.746 -6.489 -0.000) 7.492 4.747 ( -8.810 -15.259 -0.000) 17.620 4.815 ( -3.154 -5.462 0.000) 6.307 4.931 ( -2.189 -3.791 -0.000) 4.378 5.464 ( 0.615 1.065 -0.000) 1.230 5.553 ( 1.288 2.231 -0.000) 2.576 6.274 ( 0.696 1.206 -0.000) 1.393 6.442 ( 1.221 2.115 -0.000) 2.442 6.880 ( 2.487 4.308 -0.000) 4.974 6.891 ( 4.860 8.418 0.000) 9.721 14.233 ( 3.399 5.888 -0.000) 6.798 14.504 ( -0.861 -1.492 -0.000) 1.722 15.632 ( -5.041 -8.731 0.000) 10.082 19.268 ( -6.822 -11.817 -0.000) 13.645 20.653 ( 6.781 11.746 -0.000) 13.563 21.707 ( 8.253 14.294 -0.000) 16.505 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -0.000 -0.054 0.033) 0.063 3.564 ( -0.000 0.004 0.036) 0.036 3.978 ( -0.000 -0.026 0.001) 0.026 4.386 ( 0.000 -0.002 -0.025) 0.025 4.674 ( -0.000 0.130 0.216) 0.252 4.873 ( 0.000 -0.107 -0.234) 0.257 5.501 ( 0.000 -0.158 -0.220) 0.271 5.603 ( 0.000 0.133 -0.018) 0.134 6.277 ( -0.000 -0.029 0.214) 0.215 6.504 ( 0.000 0.000 -0.179) 0.179 6.930 ( -0.000 0.399 0.444) 0.597 7.112 ( 0.000 -0.363 -0.393) 0.535 14.384 ( 0.000 0.024 -0.031) 0.039 14.386 ( 0.000 -0.027 -0.009) 0.028 15.505 ( -0.000 -0.001 0.031) 0.031 19.007 ( 0.000 0.019 -0.026) 0.032 20.937 ( 0.000 0.014 -0.233) 0.234 21.998 ( -0.000 -0.015 0.175) 0.176 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 14.436 -2.717 -0.000) 14.689 3.509 ( -1.241 -6.983 0.055) 7.092 3.990 ( 0.755 0.433 -0.032) 0.871 4.478 ( 10.900 -1.878 -0.010) 11.061 4.712 ( 4.047 0.479 0.399) 4.095 4.884 ( 2.004 -1.141 -0.424) 2.344 5.485 ( -0.548 -1.793 -0.538) 1.950 5.585 ( -1.432 -0.976 0.209) 1.745 6.275 ( -0.350 -0.042 0.184) 0.397 6.498 ( -1.599 1.591 -0.251) 2.270 6.894 ( -2.613 -2.925 1.180) 4.096 7.053 ( -5.203 -1.805 -1.025) 5.602 14.354 ( -4.912 2.908 -0.009) 5.709 14.475 ( 5.075 7.577 -0.048) 9.120 15.537 ( 2.393 2.638 0.041) 3.562 19.075 ( 7.424 -0.411 0.000) 7.435 20.872 ( -7.561 1.322 -0.269) 7.680 21.934 ( -8.834 2.732 0.194) 9.249 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 12.909 -6.557 0.102) 14.479 3.439 ( 6.934 -7.418 0.027) 10.154 4.011 ( 3.953 -3.884 -0.058) 5.542 4.677 ( 13.614 -5.391 0.215) 14.644 4.840 ( 9.617 1.735 0.231) 9.775 4.918 ( 3.979 -2.302 -0.510) 4.625 5.447 ( -0.758 -2.906 -0.839) 3.118 5.539 ( -2.069 -1.641 0.482) 2.685 6.255 ( -1.463 -1.414 0.039) 2.035 6.474 ( -3.261 1.609 -0.342) 3.653 6.804 ( -3.514 -3.352 1.847) 5.195 6.898 ( -9.188 -1.960 -1.538) 9.520 14.284 ( -7.674 5.813 0.011) 9.627 14.669 ( 2.432 14.720 -0.055) 14.920 15.656 ( 8.198 2.620 0.027) 8.607 19.225 ( 10.656 -3.890 0.013) 11.344 20.734 ( -10.509 5.870 -0.223) 12.040 21.752 ( -16.115 5.482 0.164) 17.023 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 3.337 -11.126 0.137) 11.616 3.631 ( 10.164 -0.694 0.068) 10.188 4.065 ( 12.417 -13.892 -0.075) 18.633 4.815 ( 9.659 -7.092 0.410) 11.990 4.943 ( 3.853 -4.089 -0.424) 5.634 5.071 ( 12.217 -2.232 -0.068) 12.419 5.406 ( -0.129 -2.764 -1.050) 2.959 5.504 ( 0.393 -0.819 0.747) 1.176 6.201 ( -1.543 -2.455 -0.096) 2.901 6.392 ( -5.561 -2.767 -0.173) 6.213 6.718 ( -8.286 1.863 -1.840) 8.690 6.744 ( -2.904 0.603 1.966) 3.559 14.217 ( -7.790 8.462 0.035) 11.502 14.816 ( -5.905 19.440 -0.017) 20.317 15.855 ( 11.705 -1.123 -0.027) 11.759 19.324 ( 8.104 -10.091 -0.044) 12.942 20.675 ( -6.439 12.856 -0.009) 14.378 21.508 ( -18.939 9.548 0.045) 21.210 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 6.010 -10.287 0.114) 11.914 3.714 ( -0.192 0.509 0.053) 0.547 4.119 ( 13.381 -23.089 -0.074) 26.686 4.869 ( 5.305 -9.603 0.489) 10.982 4.955 ( 3.550 -5.435 -0.588) 6.519 5.164 ( 4.001 -7.334 0.108) 8.355 5.384 ( 0.842 -2.206 -0.917) 2.533 5.529 ( 1.482 -1.958 0.634) 2.536 6.180 ( 0.572 -1.264 -0.042) 1.388 6.292 ( 0.773 -0.855 -0.232) 1.176 6.634 ( -4.830 5.464 -1.149) 7.382 6.744 ( -0.867 3.982 1.209) 4.251 14.190 ( -6.028 10.357 0.057) 11.984 14.861 ( -11.471 19.829 0.011) 22.908 15.967 ( 4.412 -7.545 -0.070) 8.741 19.333 ( 6.971 -12.011 -0.101) 13.887 20.708 ( -7.554 12.374 0.279) 14.500 21.367 ( -10.007 17.864 -0.151) 20.476 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 8.062 -8.364 0.062) 11.617 3.634 ( -4.384 -9.087 -0.019) 10.089 4.065 ( 5.795 -17.682 -0.086) 18.608 4.815 ( 1.437 -11.794 0.390) 11.887 4.948 ( 1.615 -5.372 -0.518) 5.634 5.065 ( -4.257 -11.891 0.070) 12.630 5.387 ( 2.244 -1.907 -0.401) 2.972 5.517 ( 0.443 -0.300 0.246) 0.589 6.199 ( 3.055 0.095 -0.017) 3.057 6.398 ( 4.988 3.536 -0.339) 6.124 6.659 ( 2.276 5.196 0.554) 5.700 6.797 ( 1.230 5.677 -0.263) 5.814 14.216 ( -3.483 10.929 0.069) 11.471 14.815 ( -13.941 14.855 0.003) 20.372 15.856 ( -4.814 -10.639 -0.069) 11.677 19.324 ( 4.748 -12.112 -0.063) 13.010 20.665 ( -8.323 11.946 0.256) 14.562 21.515 ( 1.461 21.206 -0.144) 21.257 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 0.000 -5.620 -0.077) 5.621 3.413 ( 0.000 -13.482 0.038) 13.482 4.001 ( -0.000 0.996 0.001) 0.996 4.349 ( 0.000 -3.552 0.030) 3.553 4.680 ( -0.000 0.235 0.552) 0.600 4.849 ( 0.000 -2.002 -0.599) 2.090 5.460 ( 0.000 -3.745 -0.964) 3.867 5.581 ( -0.000 -2.606 0.475) 2.649 6.278 ( -0.000 -0.442 0.161) 0.471 6.535 ( 0.000 2.709 -0.358) 2.733 6.875 ( -0.000 -5.467 1.909) 5.790 7.071 ( 0.000 -2.905 -1.559) 3.297 14.476 ( -0.000 8.835 -0.091) 8.836 14.503 ( -0.000 11.374 0.022) 11.374 15.569 ( -0.000 6.286 0.073) 6.286 19.009 ( -0.000 0.202 0.018) 0.203 20.950 ( 0.000 1.284 -0.323) 1.324 22.053 ( -0.000 5.136 0.226) 5.140 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 15.052 -7.892 -0.056) 16.996 3.260 ( 0.866 -16.633 0.019) 16.656 3.979 ( -1.816 -2.215 0.040) 2.865 4.404 ( 10.139 -5.443 0.146) 11.508 4.726 ( 4.885 0.506 0.469) 4.933 4.840 ( 1.818 -2.861 -0.645) 3.451 5.409 ( -0.051 -5.448 -1.366) 5.617 5.537 ( -0.929 -4.382 0.773) 4.545 6.257 ( -0.965 -2.680 -0.024) 2.848 6.537 ( -2.244 0.358 -0.387) 2.305 6.815 ( -1.425 -3.062 2.462) 4.180 6.994 ( -4.717 -2.584 -1.915) 5.709 14.503 ( -6.731 11.887 -0.031) 13.660 14.736 ( 7.217 17.215 -0.030) 18.667 15.646 ( 0.207 8.138 0.107) 8.141 19.060 ( 5.188 -1.007 0.037) 5.285 20.918 ( -5.001 3.029 -0.326) 5.856 22.038 ( -8.700 7.033 0.226) 11.189 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 4.449 -15.134 0.122) 15.775 3.237 ( 21.964 -11.768 -0.112) 24.918 3.901 ( -1.732 -6.982 0.058) 7.194 4.540 ( 11.975 -8.277 0.311) 14.560 4.839 ( 3.464 -3.634 -0.219) 5.025 4.868 ( 8.776 -0.581 -0.165) 8.796 5.352 ( 0.907 -5.953 -1.592) 6.228 5.475 ( -0.117 -5.372 1.016) 5.469 6.189 ( -1.518 -5.428 -0.183) 5.640 6.440 ( -4.860 -6.625 0.084) 8.217 6.799 ( -1.629 4.092 1.965) 4.823 6.871 ( -6.862 0.714 -1.830) 7.138 14.493 ( -9.531 14.770 0.002) 17.579 15.053 ( 4.172 21.929 0.028) 22.322 15.740 ( 2.373 5.845 0.070) 6.309 19.129 ( 5.155 -5.070 0.019) 7.230 20.880 ( -4.338 7.733 -0.215) 8.870 21.905 ( -14.931 8.963 0.172) 17.416 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 6.776 -15.886 0.044) 17.271 3.532 ( 22.218 -11.641 -0.057) 25.083 3.768 ( -2.488 -12.276 0.035) 12.526 4.635 ( 9.246 -10.799 0.401) 14.222 4.837 ( 2.991 -5.877 -0.562) 6.618 5.010 ( 7.008 -3.764 0.098) 7.955 5.318 ( 2.122 -5.484 -1.380) 6.040 5.450 ( 3.233 -5.167 0.916) 6.163 6.129 ( 1.661 -4.592 -0.164) 4.886 6.273 ( -3.404 -8.112 0.142) 8.799 6.780 ( -6.005 4.432 -0.713) 7.497 6.830 ( -2.213 7.291 0.673) 7.649 14.477 ( -10.341 16.887 0.039) 19.801 15.265 ( -7.548 23.911 0.150) 25.074 15.835 ( 4.179 -0.610 -0.053) 4.224 19.135 ( 3.898 -7.929 -0.030) 8.836 20.919 ( -3.112 10.238 -0.001) 10.701 21.745 ( -13.959 13.169 0.055) 19.190 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 10.490 -13.738 -0.016) 17.285 3.534 ( -0.895 -24.983 -0.148) 25.000 3.769 ( 11.949 -3.880 0.014) 12.564 4.634 ( 4.613 -13.473 0.431) 14.247 4.840 ( 3.913 -5.419 -0.669) 6.717 5.006 ( -0.510 -8.102 0.242) 8.121 5.305 ( 2.948 -5.264 -0.720) 6.076 5.460 ( 3.436 -4.900 0.370) 5.996 6.129 ( 2.891 -3.555 -0.132) 4.584 6.274 ( 9.126 -1.289 0.103) 9.217 6.740 ( -4.382 5.439 0.763) 7.027 6.868 ( -1.929 7.590 -0.747) 7.867 14.476 ( -9.522 17.356 0.069) 19.797 15.265 ( -16.972 18.520 0.141) 25.121 15.836 ( -1.474 -3.868 -0.087) 4.141 19.135 ( 4.929 -7.339 -0.032) 8.840 20.916 ( -7.675 7.752 0.142) 10.910 21.747 ( -4.175 18.667 -0.040) 19.128 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 0.000 -10.849 -0.102) 10.849 3.061 ( 0.000 -20.452 0.009) 20.452 3.978 ( -0.000 -3.876 0.119) 3.878 4.242 ( -0.000 -7.084 0.159) 7.086 4.685 ( -0.000 -0.008 0.463) 0.463 4.792 ( 0.000 -3.184 -0.641) 3.248 5.335 ( 0.000 -8.075 -1.877) 8.290 5.486 ( -0.000 -7.362 1.071) 7.440 6.225 ( 0.000 -5.685 -0.198) 5.688 6.533 ( -0.000 -5.961 0.121) 5.962 6.831 ( -0.000 3.820 2.445) 4.536 7.008 ( 0.000 -1.553 -2.133) 2.638 14.733 ( -0.000 16.074 -0.161) 16.075 14.830 ( -0.000 20.255 0.082) 20.255 15.761 ( -0.000 12.557 0.228) 12.559 19.016 ( -0.000 0.407 0.066) 0.412 20.977 ( 0.000 1.238 -0.386) 1.297 22.193 ( -0.000 7.852 0.267) 7.857 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 16.217 -12.864 -0.064) 20.700 2.859 ( 2.235 -22.233 -0.010) 22.345 3.880 ( -3.464 -7.962 0.163) 8.685 4.258 ( 9.414 -8.953 0.204) 12.993 4.732 ( 5.149 -0.281 0.389) 5.171 4.767 ( 1.237 -3.865 -0.644) 4.109 5.248 ( 1.304 -9.724 -2.137) 10.041 5.400 ( 0.153 -9.602 1.215) 9.680 6.139 ( -0.993 -8.814 -0.159) 8.871 6.418 ( -2.763 -11.169 0.585) 11.520 6.897 ( -1.184 9.405 1.777) 9.644 6.969 ( -3.455 1.557 -1.917) 4.247 14.828 ( -7.678 19.624 -0.078) 21.073 15.144 ( 8.233 22.177 0.043) 23.656 15.872 ( -3.433 14.024 0.318) 14.442 19.038 ( 1.840 -1.071 0.071) 2.130 20.976 ( -0.957 2.357 -0.357) 2.568 22.199 ( -8.187 7.995 0.273) 11.446 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 6.474 -22.093 -0.057) 23.022 2.965 ( 23.702 -15.207 -0.079) 28.161 3.717 ( -3.388 -11.571 0.163) 12.058 4.342 ( 10.844 -11.294 0.249) 15.659 4.735 ( 1.414 -6.036 -0.436) 6.214 4.851 ( 7.644 -1.505 0.062) 7.791 5.189 ( 3.624 -9.316 -1.854) 10.167 5.322 ( 2.628 -9.944 1.054) 10.339 6.036 ( 0.752 -9.134 0.096) 9.165 6.234 ( -3.630 -12.331 0.382) 12.860 6.923 ( -4.834 4.945 -1.334) 7.042 6.971 ( -2.938 11.021 1.124) 11.461 14.874 ( -11.206 22.260 -0.016) 24.922 15.516 ( 6.865 22.226 0.136) 23.263 15.908 ( -7.712 11.394 0.271) 13.762 19.034 ( 0.741 -3.981 0.029) 4.049 21.016 ( 1.071 5.079 -0.254) 5.197 22.094 ( -12.209 8.852 0.276) 15.083 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 11.662 -20.041 -0.135) 23.188 3.141 ( 14.056 -24.044 -0.229) 27.852 3.593 ( 4.334 -7.430 0.146) 8.603 4.385 ( 7.814 -13.771 0.355) 15.837 4.710 ( 3.718 -6.118 -0.629) 7.187 4.919 ( 2.810 -5.244 0.246) 5.954 5.168 ( 4.444 -8.725 -1.044) 9.847 5.303 ( 5.729 -9.258 0.514) 10.900 6.009 ( 5.107 -7.330 -0.378) 8.941 6.108 ( 3.421 -7.478 0.801) 8.262 6.893 ( -5.202 6.618 -0.146) 8.419 7.016 ( -4.534 10.467 -0.131) 11.407 14.888 ( -13.253 22.876 0.036) 26.438 15.760 ( -13.444 23.366 0.429) 26.961 15.841 ( -1.310 2.320 -0.085) 2.666 19.013 ( 2.289 -3.950 -0.005) 4.565 21.066 ( -2.199 3.813 -0.203) 4.406 22.016 ( -7.409 12.683 0.328) 14.692 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.000 -15.581 -0.032) 15.581 2.597 ( 0.000 -24.972 0.005) 24.972 3.823 ( 0.000 -12.117 0.222) 12.119 4.066 ( 0.000 -10.143 0.131) 10.144 4.681 ( -0.000 -0.671 0.325) 0.746 4.721 ( 0.000 -3.438 -0.507) 3.475 5.109 ( 0.000 -13.329 -2.419) 13.547 5.286 ( -0.000 -12.417 1.152) 12.470 6.045 ( -0.000 -11.212 0.302) 11.216 6.314 ( -0.000 -14.139 0.539) 14.149 7.018 ( 0.000 5.447 -4.086) 6.809 7.030 ( -0.000 10.997 3.841) 11.649 15.109 ( -0.000 20.527 -0.207) 20.528 15.305 ( -0.000 25.961 0.140) 25.961 16.078 ( -0.000 18.208 0.596) 18.218 19.026 ( -0.000 0.609 0.112) 0.619 20.980 ( 0.000 -1.274 -0.386) 1.331 22.345 ( -0.000 6.195 0.332) 6.204 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 5.297 -25.887 -0.144) 26.424 2.444 ( 15.453 -17.393 0.100) 23.267 3.634 ( -3.233 -17.038 0.223) 17.344 4.045 ( 8.727 -11.752 0.093) 14.638 4.669 ( -0.746 -5.439 -0.133) 5.491 4.724 ( 4.928 -0.986 -0.140) 5.027 4.997 ( 4.216 -13.716 -2.117) 14.505 5.169 ( 1.514 -12.783 0.879) 12.902 5.922 ( -0.058 -12.223 0.868) 12.254 6.145 ( -1.853 -14.817 0.125) 14.933 7.040 ( -2.520 5.837 -2.059) 6.683 7.152 ( -2.316 13.972 1.845) 14.283 15.276 ( -6.004 23.767 -0.149) 24.514 15.616 ( 4.594 24.090 0.125) 24.524 16.218 ( -6.527 19.649 0.791) 20.720 19.020 ( -1.341 -0.719 0.097) 1.524 20.989 ( 3.481 -1.498 -0.319) 3.803 22.333 ( -6.819 4.151 0.410) 7.994 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 10.531 -25.482 -0.216) 27.574 2.608 ( 20.152 -20.005 -0.095) 28.396 3.418 ( 1.355 -18.110 0.179) 18.161 4.091 ( 9.678 -13.222 0.178) 16.387 4.590 ( 1.299 -8.166 -0.529) 8.286 4.806 ( 5.061 -2.961 0.099) 5.864 4.967 ( 6.371 -11.396 -1.242) 13.115 5.100 ( 4.699 -11.422 0.570) 12.364 5.823 ( 3.779 -12.269 0.363) 12.843 5.990 ( 0.413 -10.781 0.498) 10.800 7.043 ( -4.021 6.986 -1.386) 8.179 7.229 ( -5.255 13.477 1.059) 14.504 15.372 ( -12.043 25.801 -0.066) 28.473 15.899 ( 2.139 15.645 0.037) 15.790 16.246 ( -13.473 21.224 0.838) 25.153 18.975 ( -1.205 -1.766 0.033) 2.138 21.058 ( 4.505 -1.325 -0.432) 4.716 22.238 ( -7.069 4.392 0.727) 8.354 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.000 -28.086 0.027) 28.086 2.078 ( 0.000 -19.787 0.106) 19.787 3.456 ( 0.000 -24.686 0.227) 24.687 3.840 ( 0.000 -11.803 -0.019) 11.803 4.641 ( -0.000 -3.421 0.443) 3.449 4.671 ( 0.000 -1.221 -0.524) 1.328 4.774 ( 0.000 -18.511 -2.215) 18.643 5.026 ( -0.000 -12.404 0.618) 12.420 5.790 ( -0.000 -14.759 1.474) 14.833 6.005 ( 0.000 -15.023 -0.103) 15.024 7.121 ( 0.000 6.681 -1.923) 6.952 7.330 ( -0.000 15.554 1.810) 15.659 15.543 ( -0.000 21.680 -0.219) 21.681 15.873 ( -0.000 29.671 0.142) 29.671 16.497 ( -0.000 22.322 1.278) 22.358 19.041 ( -0.000 0.739 0.144) 0.753 20.901 ( 0.000 -6.947 -0.101) 6.948 22.410 ( -0.000 -0.930 0.445) 1.031 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 5.294 -28.615 -0.113) 29.101 2.057 ( 17.701 -20.819 0.110) 27.327 3.166 ( 0.236 -29.159 0.192) 29.161 3.798 ( 7.995 -12.180 -0.029) 14.570 4.497 ( -2.871 -13.485 -0.784) 13.809 4.693 ( 4.590 -2.512 -0.031) 5.233 4.725 ( 7.230 -9.453 -0.966) 11.940 4.929 ( 2.062 -10.194 0.476) 10.411 5.634 ( 1.162 -16.991 0.756) 17.048 5.867 ( 0.552 -11.696 0.627) 11.726 7.168 ( -2.236 7.125 -1.635) 7.644 7.462 ( -3.640 15.490 1.458) 15.979 15.751 ( -2.302 21.945 -0.207) 22.066 16.136 ( -4.423 27.593 0.100) 27.945 16.664 ( -7.767 23.257 1.515) 24.566 19.011 ( -3.459 -0.199 0.105) 3.466 20.891 ( 7.803 -8.513 -0.006) 11.548 22.337 ( -3.816 -4.791 0.759) 6.172 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.000 -29.643 0.087) 29.643 1.639 ( 0.000 -23.410 0.273) 23.412 2.820 ( 0.000 -37.395 0.142) 37.395 3.599 ( 0.000 -11.437 -0.151) 11.438 4.342 ( 0.000 -23.020 -1.579) 23.074 4.574 ( -0.000 -3.122 0.445) 3.153 4.641 ( 0.000 -1.536 -0.437) 1.597 4.824 ( -0.000 -7.397 0.325) 7.404 5.435 ( 0.000 -19.966 0.389) 19.970 5.747 ( -0.000 -10.698 1.512) 10.805 7.256 ( 0.000 6.982 -1.378) 7.117 7.662 ( -0.000 16.109 1.321) 16.163 15.967 ( -0.000 19.596 -0.198) 19.597 16.510 ( -0.000 33.043 -0.057) 33.043 16.984 ( -0.000 24.648 2.175) 24.744 19.057 ( -0.000 0.732 0.151) 0.747 20.678 ( -0.000 -15.596 1.177) 15.640 22.277 ( -0.000 -12.923 0.344) 12.927 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.069 ( -0.000 0.000 4.940) 4.940 0.069 ( -0.000 0.000 4.940) 4.940 0.137 ( -0.000 0.000 9.551) 9.551 3.192 ( 0.000 -0.000 -0.157) 0.157 3.192 ( 0.000 -0.000 -0.157) 0.157 4.477 ( -0.000 0.000 0.363) 0.363 4.477 ( -0.000 0.000 0.363) 0.363 4.564 ( 0.000 -0.000 -0.315) 0.315 4.564 ( 0.000 -0.000 -0.315) 0.315 4.690 ( 0.000 -0.000 -0.532) 0.532 7.933 ( -0.000 0.000 1.246) 1.246 8.318 ( 0.000 -0.000 -0.512) 0.512 16.634 ( -0.000 0.000 0.005) 0.005 16.634 ( -0.000 0.000 0.005) 0.005 18.237 ( 0.000 -0.000 -0.020) 0.020 19.083 ( 0.000 -0.000 -0.003) 0.003 19.083 ( 0.000 -0.000 -0.003) 0.003 19.633 ( 0.000 -0.000 -0.265) 0.265 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 17.217 9.941 3.613) 20.207 0.593 ( 24.142 13.938 1.000) 27.895 1.007 ( 42.406 24.483 0.234) 48.967 3.240 ( 4.195 2.422 -0.252) 4.851 3.388 ( 15.446 8.918 -0.319) 17.838 4.493 ( 1.146 0.661 0.563) 1.438 4.572 ( 0.808 0.466 -0.490) 1.054 4.676 ( 2.955 1.706 -1.085) 3.581 4.717 ( 8.528 4.923 1.015) 9.899 5.241 ( 17.599 10.161 -19.807) 28.377 7.598 ( -8.937 -5.160 12.804) 16.445 8.198 ( -7.994 -4.615 -3.294) 9.801 16.551 ( -6.880 -3.972 -0.028) 7.944 17.693 ( -10.494 -6.059 -21.937) 25.061 18.164 ( -31.561 -18.222 6.967) 37.103 19.081 ( -0.237 -0.137 0.028) 0.275 19.669 ( 47.450 27.395 -9.590) 55.623 20.645 ( 50.086 28.917 -54.499) 79.466 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 24.082 13.904 1.518) 27.849 1.147 ( 22.673 13.090 0.695) 26.190 1.974 ( 39.388 22.740 0.306) 45.482 3.382 ( 7.735 4.466 -0.302) 8.936 3.835 ( 21.146 12.209 -0.149) 24.418 4.532 ( 2.035 1.175 0.547) 2.413 4.597 ( 1.343 0.775 -0.457) 1.616 4.712 ( 2.496 1.441 -1.048) 3.067 5.049 ( 16.658 9.618 1.988) 19.338 5.503 ( 9.910 5.722 -7.562) 13.716 7.455 ( -6.472 -3.737 7.169) 10.356 7.948 ( -12.068 -6.968 -3.748) 14.431 16.318 ( -12.782 -7.380 0.002) 14.760 17.191 ( -27.262 -15.740 -1.759) 31.529 17.481 ( -24.429 -14.104 -4.599) 28.580 19.072 ( -0.493 -0.285 0.007) 0.570 20.402 ( 20.182 11.652 8.435) 24.783 21.554 ( 34.902 20.151 -27.480) 48.779 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 25.422 14.677 0.790) 29.365 1.653 ( 20.201 11.663 0.557) 23.333 2.826 ( 32.406 18.710 0.264) 37.420 3.591 ( 9.893 5.712 -0.315) 11.428 4.328 ( 20.058 11.580 0.701) 23.171 4.589 ( 2.722 1.571 0.405) 3.169 4.628 ( 1.312 0.757 -0.293) 1.543 4.811 ( 6.429 3.712 -1.057) 7.499 5.467 ( 18.035 10.413 1.850) 20.907 5.708 ( 8.819 5.092 -4.128) 10.988 7.305 ( -7.467 -4.311 4.541) 9.745 7.642 ( -12.836 -7.411 -2.779) 15.080 15.965 ( -16.941 -9.781 0.078) 19.562 16.518 ( -28.521 -16.467 0.662) 32.940 16.955 ( -20.576 -11.880 -4.004) 24.094 19.058 ( -0.667 -0.385 -0.051) 0.772 20.764 ( 10.417 6.014 4.298) 12.773 22.131 ( 17.491 10.098 -9.368) 22.264 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 24.156 13.946 0.437) 27.896 2.092 ( 17.043 9.840 0.448) 19.684 3.462 ( 21.250 12.269 0.048) 24.538 3.831 ( 10.286 5.939 -0.306) 11.881 4.651 ( 1.347 0.778 -0.525) 1.642 4.662 ( 2.627 1.517 0.667) 3.106 4.758 ( 16.141 9.319 1.537) 18.702 5.016 ( 11.122 6.421 -1.001) 12.882 5.855 ( 11.616 6.706 2.084) 13.573 5.933 ( 13.876 8.011 -3.684) 16.441 7.122 ( -8.790 -5.075 1.683) 10.289 7.356 ( -10.737 -6.199 -0.516) 12.409 15.542 ( -18.716 -10.806 0.155) 21.612 15.878 ( -25.955 -14.985 0.105) 29.970 16.485 ( -18.807 -10.858 -1.752) 21.787 19.042 ( -0.705 -0.407 -0.106) 0.821 20.936 ( 4.176 2.411 1.577) 5.074 22.355 ( 3.561 2.056 -2.701) 4.919 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 13.371 7.720 0.337) 15.443 2.607 ( 21.463 12.392 0.215) 24.785 3.827 ( 10.394 6.001 -0.101) 12.002 4.059 ( 8.941 5.162 -0.271) 10.328 4.668 ( 0.483 0.279 -0.385) 0.677 4.733 ( 2.963 1.711 0.547) 3.464 5.084 ( 11.375 6.567 1.522) 13.223 5.295 ( 11.531 6.658 -0.672) 13.332 6.062 ( 7.831 4.521 0.148) 9.043 6.290 ( 14.469 8.354 -1.243) 16.754 6.908 ( -9.004 -5.198 -0.815) 10.429 7.156 ( -6.228 -3.596 1.501) 7.347 15.109 ( -17.710 -10.225 0.192) 20.451 15.306 ( -22.671 -13.089 -0.122) 26.179 16.076 ( -15.561 -8.984 -0.634) 17.979 19.026 ( -0.601 -0.347 -0.123) 0.704 20.985 ( 0.229 0.132 0.525) 0.588 22.332 ( -4.228 -2.441 -0.669) 4.927 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 9.247 5.339 0.213) 10.680 3.068 ( 17.548 10.131 0.059) 20.263 3.981 ( 3.318 1.915 -0.078) 3.832 4.239 ( 6.278 3.625 -0.176) 7.251 4.675 ( 0.309 0.179 -0.447) 0.572 4.798 ( 2.369 1.368 0.577) 2.796 5.306 ( 7.435 4.293 1.203) 8.670 5.504 ( 5.980 3.453 -0.535) 6.926 6.223 ( 5.180 2.991 0.136) 5.983 6.548 ( 5.056 2.919 0.091) 5.839 6.754 ( -0.792 -0.457 -2.110) 2.300 7.072 ( -1.338 -0.773 1.654) 2.264 14.733 ( -13.880 -8.014 0.165) 16.028 14.828 ( -17.619 -10.172 -0.110) 20.345 15.763 ( -10.837 -6.257 -0.202) 12.516 19.014 ( -0.403 -0.233 -0.087) 0.473 20.968 ( -1.429 -0.825 0.272) 1.672 22.197 ( -6.366 -3.675 -0.210) 7.354 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 4.713 2.721 0.077) 5.443 3.416 ( 11.584 6.688 -0.039) 13.376 4.003 ( -0.932 -0.538 -0.004) 1.076 4.349 ( 3.043 1.757 -0.029) 3.513 4.682 ( 0.368 0.213 -0.522) 0.674 4.843 ( 1.255 0.724 0.571) 1.557 5.441 ( 3.863 2.230 0.832) 4.537 5.585 ( 1.541 0.890 -0.342) 1.812 6.289 ( 0.805 0.465 -0.173) 0.946 6.524 ( -2.607 -1.505 0.335) 3.029 6.873 ( 6.578 3.798 -1.732) 7.790 7.077 ( 0.664 0.384 1.419) 1.613 14.477 ( -7.663 -4.424 0.091) 8.849 14.500 ( -9.844 -5.683 -0.023) 11.366 15.571 ( -5.466 -3.156 -0.072) 6.312 19.007 ( -0.179 -0.103 -0.018) 0.207 20.935 ( -1.211 -0.699 0.317) 1.434 22.065 ( -4.330 -2.500 -0.219) 5.005 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -0.085 -0.049 -0.059) 0.115 3.566 ( 0.008 0.004 -0.067) 0.068 3.978 ( -0.041 -0.024 -0.004) 0.047 4.384 ( 0.000 0.000 0.044) 0.044 4.689 ( 0.237 0.137 -0.397) 0.482 4.857 ( -0.204 -0.118 0.435) 0.495 5.486 ( -0.207 -0.119 0.368) 0.439 5.601 ( 0.163 0.094 0.076) 0.203 6.291 ( -0.012 -0.007 -0.366) 0.367 6.493 ( -0.038 -0.022 0.270) 0.273 6.967 ( 0.994 0.574 -1.184) 1.649 7.078 ( -0.930 -0.537 1.122) 1.553 14.382 ( 0.039 0.022 0.057) 0.072 14.385 ( -0.043 -0.025 0.016) 0.052 15.507 ( -0.001 -0.001 -0.056) 0.056 19.005 ( 0.031 0.018 0.048) 0.060 20.920 ( 0.021 0.012 0.421) 0.421 22.011 ( -0.024 -0.014 -0.313) 0.314 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -4.873 -2.813 -0.175) 5.629 3.415 ( -11.669 -6.737 -0.095) 13.475 4.002 ( 0.946 0.546 -0.067) 1.095 4.350 ( -2.964 -1.711 0.018) 3.422 4.690 ( -0.042 -0.024 -0.057) 0.075 4.836 ( -1.597 -0.922 0.173) 1.852 5.437 ( -3.980 -2.298 0.518) 4.625 5.589 ( -1.589 -0.917 -0.072) 1.836 6.287 ( -0.811 -0.468 -0.326) 0.991 6.523 ( 2.387 1.378 0.310) 2.773 6.909 ( -5.013 -2.894 0.178) 5.791 7.045 ( -1.907 -1.101 -0.277) 2.219 14.475 ( 7.599 4.387 -0.013) 8.775 14.502 ( 9.904 5.718 0.092) 11.436 15.571 ( 5.499 3.175 -0.075) 6.350 19.008 ( 0.223 0.129 0.072) 0.267 20.937 ( 1.192 0.688 0.457) 1.451 22.063 ( 4.356 2.515 -0.333) 5.041 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -9.381 -5.416 -0.257) 10.835 3.064 ( -17.698 -10.218 -0.184) 20.437 3.981 ( -3.281 -1.895 -0.117) 3.791 4.243 ( -6.128 -3.538 0.033) 7.076 4.688 ( -0.207 -0.120 0.249) 0.345 4.786 ( -2.566 -1.482 -0.112) 2.965 5.304 ( -7.519 -4.341 1.052) 8.745 5.503 ( -6.039 -3.487 -0.561) 6.996 6.222 ( -5.159 -2.979 0.076) 5.958 6.538 ( -4.246 -2.452 -0.435) 4.923 6.830 ( 1.366 0.788 2.536) 2.987 7.009 ( 0.009 0.005 -2.235) 2.235 14.731 ( 13.868 8.006 0.023) 16.013 14.830 ( 17.615 10.170 0.052) 20.340 15.765 ( 10.997 6.349 -0.108) 12.699 19.016 ( 0.406 0.235 0.038) 0.471 20.969 ( 1.193 0.689 0.345) 1.420 22.197 ( 6.674 3.853 -0.181) 7.709 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -13.476 -7.781 -0.301) 15.564 2.599 ( -21.630 -12.488 -0.252) 24.978 3.826 ( -10.461 -6.040 -0.195) 12.081 4.066 ( -8.830 -5.098 0.107) 10.196 4.681 ( -0.481 -0.278 0.342) 0.652 4.719 ( -3.034 -1.752 -0.262) 3.514 5.083 ( -11.643 -6.722 1.465) 13.524 5.298 ( -10.965 -6.330 -0.531) 12.672 6.050 ( -8.944 -5.164 -0.504) 10.340 6.316 ( -12.790 -7.384 0.332) 14.772 6.966 ( 6.548 3.781 3.583) 8.367 7.082 ( 7.823 4.517 -3.835) 9.814 15.107 ( 17.746 10.246 0.100) 20.492 15.306 ( 22.537 13.012 -0.070) 26.024 16.083 ( 15.978 9.225 -0.216) 18.451 19.027 ( 0.564 0.325 -0.036) 0.652 20.977 ( -0.961 -0.555 0.026) 1.111 22.346 ( 5.275 3.046 0.194) 6.095 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -24.338 -14.052 -0.239) 28.105 2.080 ( -17.127 -9.888 -0.307) 19.779 3.458 ( -21.391 -12.350 -0.253) 24.701 3.839 ( -10.240 -5.912 0.160) 11.825 4.644 ( -3.022 -1.745 -0.562) 3.534 4.667 ( -0.978 -0.565 0.583) 1.271 4.761 ( -16.008 -9.242 1.696) 18.562 5.029 ( -10.791 -6.230 -0.208) 12.462 5.800 ( -12.788 -7.383 -1.788) 14.874 6.002 ( -12.792 -7.386 1.008) 14.806 7.111 ( 5.968 3.445 1.163) 6.988 7.341 ( 13.257 7.654 -1.544) 15.386 15.542 ( 18.768 10.836 0.173) 21.672 15.874 ( 25.686 14.830 -0.180) 29.660 16.503 ( 19.582 11.306 -0.675) 22.621 19.042 ( 0.652 0.377 -0.112) 0.761 20.902 ( -5.875 -3.392 -0.507) 6.803 22.409 ( -0.764 -0.441 0.603) 1.068 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -0.000 19.206 3.410) 19.506 0.580 ( -0.000 27.824 0.492) 27.828 1.016 ( -0.000 48.515 0.619) 48.519 3.244 ( 0.000 5.005 -0.126) 5.007 3.394 ( -0.000 18.481 -0.172) 18.482 4.485 ( -0.000 0.962 0.219) 0.987 4.578 ( 0.000 1.256 -0.175) 1.268 4.679 ( 0.000 4.372 -1.407) 4.593 4.703 ( -0.000 9.006 0.795) 9.041 5.183 ( 0.000 21.334 -19.839) 29.133 7.618 ( -0.000 -11.751 12.702) 17.304 8.191 ( 0.000 -9.325 -3.504) 9.961 16.554 ( 0.000 -7.842 0.065) 7.842 17.670 ( 0.000 -6.629 -23.421) 24.341 18.166 ( -0.000 -42.678 7.243) 43.288 19.079 ( 0.000 -0.361 -0.054) 0.365 19.426 ( 0.000 57.402 -19.471) 60.614 20.737 ( 0.000 64.309 -41.587) 76.584 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 13.526 21.915 2.050) 25.835 1.090 ( 15.890 26.334 0.631) 30.763 1.686 ( 22.063 38.370 0.143) 44.261 3.366 ( 4.548 8.452 -0.449) 9.609 3.685 ( 10.563 19.835 0.267) 22.474 4.526 ( 2.033 2.264 0.519) 3.086 4.598 ( 0.636 2.325 -0.388) 2.441 4.699 ( 0.844 1.856 -1.103) 2.318 4.936 ( 9.206 14.713 2.036) 17.475 5.400 ( 7.539 10.795 -10.689) 16.959 7.507 ( -3.570 -7.462 8.524) 11.878 8.013 ( -6.578 -11.306 -4.215) 13.743 16.408 ( -6.024 -10.085 0.062) 11.747 17.363 ( -14.845 -21.707 -5.845) 26.940 17.604 ( -14.427 -30.616 -2.804) 33.961 19.032 ( -0.764 -1.842 -0.179) 2.002 20.219 ( 25.225 25.102 3.918) 35.801 21.342 ( 13.872 44.168 -31.001) 55.716 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 21.051 20.246 1.144) 29.230 1.611 ( 12.153 27.186 0.530) 29.783 2.478 ( 29.027 25.515 0.085) 38.647 3.556 ( 5.502 11.597 -0.414) 12.843 4.116 ( 16.531 14.721 0.779) 22.149 4.599 ( 1.966 5.328 0.649) 5.716 4.641 ( 0.529 3.752 -0.431) 3.814 4.761 ( 3.553 4.081 -1.072) 5.516 5.292 ( 14.165 12.812 2.284) 19.236 5.609 ( 7.773 7.371 -5.639) 12.105 7.373 ( -5.259 -6.836 5.799) 10.393 7.740 ( -9.615 -11.276 -3.768) 15.291 16.139 ( -12.733 -10.402 0.101) 16.442 16.756 ( -21.976 -25.752 0.856) 33.865 17.100 ( -14.850 -19.423 -5.639) 25.091 19.014 ( 1.586 -3.560 -0.043) 3.897 20.724 ( 9.799 14.695 5.542) 18.512 21.919 ( 17.071 20.448 -13.979) 30.082 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 22.036 18.577 0.645) 28.829 2.069 ( 9.286 25.512 0.365) 27.152 3.171 ( 25.253 14.511 0.017) 29.126 3.788 ( 6.543 13.039 -0.337) 14.592 4.504 ( 13.499 5.180 1.133) 14.503 4.682 ( -0.705 4.797 -0.397) 4.865 4.729 ( 4.362 11.293 1.097) 12.156 4.915 ( 7.837 7.134 -1.052) 10.649 5.684 ( 16.028 9.670 2.039) 18.829 5.804 ( 8.185 6.063 -3.932) 10.919 7.205 ( -6.967 -7.074 3.263) 10.451 7.452 ( -9.568 -9.924 -2.052) 13.938 15.750 ( -17.865 -12.918 0.153) 22.047 16.144 ( -21.839 -17.915 0.267) 28.248 16.636 ( -15.203 -17.671 -2.699) 23.466 19.012 ( 1.879 -2.943 -0.069) 3.493 20.946 ( 2.001 8.692 2.342) 9.221 22.248 ( 8.905 3.140 -4.442) 10.435 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 19.762 17.205 0.389) 26.205 2.456 ( 7.281 21.964 0.193) 23.141 3.638 ( 16.347 5.541 -0.108) 17.261 4.037 ( 5.932 13.467 -0.289) 14.719 4.686 ( 5.241 1.899 0.687) 5.617 4.709 ( -1.752 5.054 -0.365) 5.361 4.987 ( 9.119 10.590 1.792) 14.089 5.166 ( 10.987 8.350 -0.876) 13.828 5.963 ( 8.165 4.365 0.204) 9.261 6.091 ( 16.137 7.536 -1.540) 17.876 6.999 ( -8.360 -7.106 0.455) 10.981 7.214 ( -6.643 -7.628 0.317) 10.120 15.275 ( -17.542 -17.119 0.116) 24.511 15.619 ( -23.339 -8.207 -0.048) 24.740 16.210 ( -13.254 -15.147 -1.013) 20.152 19.020 ( 1.232 -0.828 -0.097) 1.488 21.006 ( -1.500 2.762 0.777) 3.237 22.304 ( 1.244 -6.506 -1.147) 6.723 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 2.980 20.342 0.195) 20.560 2.867 ( 18.027 12.818 0.076) 22.120 3.883 ( 8.625 0.931 -0.118) 8.676 4.253 ( 3.263 12.682 -0.246) 13.098 4.720 ( -2.508 4.848 -0.254) 5.464 4.779 ( 2.691 2.843 0.498) 3.946 5.225 ( 7.649 6.179 1.548) 9.954 5.415 ( 8.441 5.053 -0.713) 9.863 6.141 ( 7.369 3.116 0.154) 8.002 6.416 ( 13.012 4.282 -0.729) 13.718 6.795 ( -6.445 -5.025 -0.906) 8.223 7.071 ( -2.131 -5.371 1.182) 5.898 14.826 ( -13.116 -16.559 0.057) 21.124 15.144 ( -23.403 -3.952 -0.039) 23.734 15.872 ( -10.275 -9.858 -0.319) 14.243 19.037 ( -0.060 2.136 -0.085) 2.138 20.973 ( -2.082 -2.401 0.320) 3.194 22.197 ( -2.214 -10.574 -0.299) 10.808 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -0.835 16.917 0.055) 16.938 3.263 ( 13.905 8.893 -0.022) 16.505 3.982 ( 2.806 -0.501 -0.040) 2.851 4.403 ( -0.244 11.565 -0.135) 11.569 4.720 ( -2.524 4.227 -0.375) 4.937 4.843 ( 1.089 2.824 0.544) 3.076 5.388 ( 5.212 3.058 1.152) 6.152 5.547 ( 3.590 1.033 -0.558) 3.778 6.259 ( 3.381 0.708 0.005) 3.454 6.540 ( -0.743 -2.765 0.409) 2.892 6.770 ( 6.907 1.793 -1.749) 7.347 7.033 ( 2.227 -3.843 1.198) 4.601 14.501 ( -6.902 -11.861 0.030) 13.722 14.736 ( -18.537 -2.314 0.032) 18.681 15.649 ( -7.146 -3.859 -0.106) 8.122 19.058 ( -1.768 5.045 -0.037) 5.346 20.905 ( -0.307 -5.977 0.321) 5.994 22.046 ( -1.527 -10.906 -0.221) 11.014 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -5.046 13.854 -0.056) 14.744 3.511 ( 6.689 2.408 -0.081) 7.109 3.991 ( -0.830 0.332 0.022) 0.894 4.477 ( -3.923 10.370 0.020) 11.087 4.719 ( -1.843 3.476 -0.470) 3.962 4.875 ( -0.511 2.178 0.522) 2.298 5.473 ( 2.009 0.548 0.628) 2.175 5.584 ( 1.243 -0.811 -0.135) 1.490 6.286 ( 0.424 -0.402 -0.303) 0.658 6.488 ( -0.654 -2.094 0.325) 2.218 6.906 ( 5.643 -0.063 -1.427) 5.821 7.043 ( 2.367 -4.392 1.274) 5.149 14.352 ( -0.037 -5.714 0.037) 5.714 14.475 ( -9.108 0.577 0.053) 9.127 15.540 ( -3.511 0.759 -0.067) 3.592 19.073 ( -3.364 6.711 0.018) 7.507 20.857 ( 2.629 -7.208 0.440) 7.685 21.945 ( 2.071 -9.029 -0.318) 9.268 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -9.659 11.219 -0.148) 14.805 3.511 ( -5.449 -4.570 -0.077) 7.112 3.990 ( 0.072 0.849 -0.018) 0.853 4.477 ( -6.984 8.608 0.025) 11.085 4.724 ( -1.611 3.564 -0.299) 3.923 4.871 ( -2.078 1.261 0.372) 2.459 5.470 ( -1.825 -1.628 0.440) 2.485 5.588 ( 0.304 -1.395 0.046) 1.428 6.285 ( 0.086 -0.576 -0.382) 0.696 6.488 ( 2.049 -0.593 0.334) 2.159 6.930 ( -0.887 -3.582 -0.899) 3.798 7.021 ( 0.928 -5.435 0.819) 5.574 14.353 ( 4.989 -2.785 0.078) 5.714 14.474 ( 4.028 8.155 0.023) 9.095 15.539 ( 1.101 3.401 -0.079) 3.576 19.074 ( -4.064 6.281 0.048) 7.481 20.859 ( 4.967 -5.827 0.514) 7.674 21.943 ( 6.743 -6.345 -0.379) 9.266 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -14.421 9.159 -0.208) 17.085 3.261 ( -14.828 -7.618 -0.103) 16.671 3.981 ( -0.914 -2.663 -0.086) 2.816 4.406 ( -9.750 6.165 -0.026) 11.536 4.732 ( -2.129 4.274 0.013) 4.775 4.831 ( -3.297 0.258 0.133) 3.310 5.384 ( -5.336 -3.004 0.931) 6.194 5.549 ( -2.837 -2.713 -0.431) 3.949 6.258 ( -2.231 -2.479 -0.096) 3.337 6.531 ( 1.986 -1.327 0.083) 2.390 6.836 ( -2.663 -3.667 0.798) 4.601 6.979 ( 0.723 -4.711 -0.843) 4.841 14.502 ( 13.642 0.126 0.074) 13.642 14.736 ( 11.336 14.874 0.022) 18.702 15.649 ( 7.023 4.255 -0.107) 8.212 19.060 ( -3.435 4.020 0.035) 5.288 20.909 ( 5.192 -2.718 0.463) 5.879 22.044 ( 10.364 -4.094 -0.313) 11.148 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -19.300 7.601 -0.208) 20.744 2.860 ( -20.328 -9.214 -0.156) 22.319 3.883 ( -5.108 -6.978 -0.153) 8.649 4.259 ( -12.500 3.686 0.010) 13.032 4.733 ( -2.812 4.494 0.189) 5.305 4.763 ( -3.943 -1.059 -0.056) 4.083 5.223 ( -9.382 -3.724 1.472) 10.201 5.414 ( -8.351 -4.670 -0.782) 9.600 6.138 ( -6.856 -5.102 0.045) 8.547 6.424 ( -8.327 -8.113 -0.311) 11.630 6.880 ( 6.999 2.166 3.370) 8.064 6.984 ( 4.806 -0.705 -3.262) 5.851 14.826 ( 20.792 3.190 0.082) 21.036 15.144 ( 15.141 18.242 -0.026) 23.707 15.875 ( 14.026 4.055 -0.182) 14.601 19.039 ( -1.812 1.060 -0.015) 2.099 20.972 ( 2.580 0.433 0.268) 2.630 22.202 ( 10.966 -3.129 -0.102) 11.404 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -25.063 -8.370 -0.047) 26.424 2.445 ( -22.793 4.623 -0.245) 23.259 3.636 ( -13.127 -11.330 -0.217) 17.342 4.046 ( -14.568 1.690 0.056) 14.666 4.669 ( -4.322 -3.568 -0.071) 5.605 4.723 ( -3.355 3.901 0.252) 5.152 4.984 ( -13.983 -3.021 1.642) 14.399 5.174 ( -11.940 -5.140 -0.536) 13.010 5.929 ( -10.193 -6.082 -1.092) 11.919 6.144 ( -12.057 -9.051 0.517) 15.085 7.026 ( 6.671 1.122 2.030) 7.063 7.165 ( 12.907 4.557 -2.164) 13.857 15.275 ( 23.544 6.703 0.133) 24.480 15.617 ( 18.594 16.020 -0.130) 24.544 16.223 ( 20.486 4.217 -0.492) 20.921 19.020 ( 0.068 -1.532 -0.074) 1.535 20.988 ( -2.993 2.268 0.008) 3.756 22.334 ( 7.043 -3.764 0.073) 7.986 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.000 27.625 1.255) 27.653 1.133 ( -0.000 26.201 0.373) 26.204 1.975 ( -0.000 45.035 0.305) 45.036 3.388 ( -0.000 9.030 -0.162) 9.032 3.859 ( -0.000 25.407 0.488) 25.412 4.518 ( -0.000 2.119 0.139) 2.123 4.610 ( 0.000 1.768 -0.075) 1.769 4.711 ( 0.000 2.862 -1.071) 3.056 5.045 ( -0.000 19.316 2.219) 19.443 5.440 ( 0.000 13.188 -9.198) 16.078 7.471 ( -0.000 -8.423 7.610) 11.352 7.930 ( 0.000 -13.954 -4.340) 14.613 16.322 ( 0.000 -14.692 0.116) 14.692 17.221 ( 0.000 -32.289 -0.776) 32.299 17.398 ( 0.000 -26.797 -6.930) 27.678 19.069 ( 0.000 -0.616 -0.089) 0.622 20.242 ( -0.000 29.341 1.980) 29.407 21.648 ( 0.000 40.036 -21.454) 45.423 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 7.713 28.138 1.064) 29.196 1.604 ( 18.146 23.882 0.461) 29.998 2.475 ( 7.759 37.660 0.038) 38.451 3.560 ( 6.909 10.760 -0.370) 12.792 4.134 ( 3.042 22.312 1.039) 22.542 4.592 ( 4.503 4.259 0.487) 6.217 4.652 ( 2.248 2.779 -0.201) 3.580 4.761 ( 1.581 5.140 -1.101) 5.490 5.286 ( 4.694 17.629 2.312) 18.389 5.589 ( 3.553 11.598 -6.003) 13.534 7.377 ( -2.606 -8.286 5.973) 10.542 7.730 ( -4.845 -14.210 -4.031) 15.545 16.143 ( -2.844 -16.090 0.148) 16.340 16.759 ( -11.743 -32.801 1.013) 34.854 17.072 ( -7.755 -21.616 -6.088) 23.758 19.011 ( -3.674 -0.439 -0.073) 3.701 20.663 ( 14.164 16.265 4.105) 21.955 21.974 ( 2.256 25.945 -12.509) 28.891 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 14.919 25.294 0.741) 29.376 2.155 ( 14.797 25.020 0.479) 29.072 2.985 ( 13.898 23.714 -0.141) 27.487 3.812 ( 7.418 13.356 -0.450) 15.284 4.404 ( 6.625 12.084 1.251) 13.838 4.726 ( 2.228 4.360 -0.391) 4.912 4.761 ( 5.331 10.053 1.205) 11.443 4.881 ( 4.819 8.347 -1.077) 9.698 5.569 ( 9.155 13.109 1.809) 16.091 5.757 ( 4.421 9.355 -3.837) 11.035 7.238 ( -4.842 -8.336 4.062) 10.461 7.476 ( -6.860 -12.890 -2.873) 14.882 15.856 ( -11.282 -19.178 0.192) 22.251 16.250 ( -12.055 -21.421 0.314) 24.582 16.665 ( -12.127 -21.385 -3.184) 24.789 18.966 ( -0.473 -0.973 -0.029) 1.082 20.981 ( 6.487 8.204 2.755) 10.816 22.176 ( 2.588 8.214 -5.351) 10.139 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 16.825 21.472 0.388) 27.282 2.618 ( 7.419 27.249 0.330) 28.242 3.417 ( 15.180 10.032 -0.157) 18.196 4.081 ( 6.490 15.094 -0.386) 16.435 4.607 ( 6.483 5.167 0.943) 8.344 4.795 ( -0.208 6.089 -0.358) 6.103 4.981 ( 5.803 11.606 1.754) 13.094 5.090 ( 7.949 10.087 -0.948) 12.878 5.868 ( 10.353 7.710 1.730) 13.024 5.927 ( 7.786 7.644 -3.075) 11.336 7.056 ( -6.755 -8.284 1.609) 10.809 7.234 ( -6.121 -10.653 -0.875) 12.317 15.371 ( -16.440 -23.352 0.060) 28.559 15.902 ( -14.706 -6.143 0.039) 15.937 16.226 ( -10.811 -21.573 -1.334) 24.167 18.975 ( 2.134 -0.178 -0.030) 2.142 21.081 ( -1.555 3.142 1.028) 3.654 22.203 ( 0.494 -6.072 -1.628) 6.306 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 15.883 16.374 0.099) 22.812 2.974 ( 1.372 27.907 0.192) 27.941 3.717 ( 11.821 2.774 -0.130) 12.142 4.333 ( 4.439 15.070 -0.318) 15.714 4.752 ( 4.531 4.144 0.647) 6.174 4.840 ( -2.599 7.591 -0.229) 8.027 5.186 ( 5.324 8.143 1.724) 9.881 5.327 ( 7.966 7.313 -0.894) 10.851 6.051 ( 6.198 4.240 0.075) 7.510 6.209 ( 14.163 4.501 -0.752) 14.880 6.854 ( -6.946 -6.854 0.014) 9.758 7.050 ( -3.422 -8.583 0.354) 9.247 14.872 ( -13.715 -20.851 -0.009) 24.957 15.515 ( -22.632 -5.417 -0.150) 23.272 15.906 ( -5.756 -11.925 -0.296) 13.244 19.034 ( 3.038 2.656 -0.031) 4.035 21.019 ( -5.467 -2.217 0.289) 5.907 22.086 ( -0.975 -14.188 -0.371) 14.226 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 11.124 11.148 -0.125) 15.749 3.242 ( -1.068 24.794 0.107) 24.817 3.903 ( 6.950 1.990 -0.052) 7.230 4.535 ( 1.438 14.483 -0.275) 14.557 4.855 ( 2.110 4.485 0.508) 4.983 4.856 ( -4.827 8.394 -0.154) 9.684 5.338 ( 4.505 4.151 1.369) 6.277 5.486 ( 4.621 2.275 -0.789) 5.210 6.187 ( 5.474 1.406 0.153) 5.654 6.451 ( 9.001 -0.689 -0.135) 9.028 6.712 ( -1.519 -2.720 -0.530) 3.160 6.946 ( 0.790 -7.233 0.466) 7.291 14.490 ( -8.042 -15.644 -0.003) 17.590 15.052 ( -21.017 -7.394 -0.028) 22.279 15.742 ( -6.219 -0.776 -0.070) 6.268 19.129 ( 1.772 7.075 -0.018) 7.294 20.871 ( -4.800 -7.861 0.211) 9.213 21.910 ( -0.025 -17.155 -0.169) 17.155 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( -0.667 14.212 -0.179) 14.229 3.440 ( 2.827 9.856 -0.041) 10.253 4.012 ( 1.315 5.274 0.043) 5.436 4.677 ( -1.951 14.464 -0.189) 14.596 4.840 ( -6.257 7.832 -0.181) 10.026 4.918 ( -0.296 4.360 0.447) 4.393 5.435 ( 3.175 1.025 0.874) 3.449 5.543 ( 1.958 -1.139 -0.420) 2.304 6.258 ( 2.297 -0.656 -0.083) 2.390 6.473 ( -0.472 -3.597 0.334) 3.644 6.776 ( 7.450 -1.168 -0.916) 7.597 6.924 ( 4.008 -7.161 0.661) 8.233 14.281 ( -1.185 -9.526 0.020) 9.599 14.669 ( -13.963 -5.293 0.061) 14.932 15.658 ( -6.389 5.786 -0.058) 8.620 19.225 ( -2.000 11.293 -0.012) 11.469 20.721 ( 0.134 -12.098 0.377) 12.105 21.762 ( 3.364 -16.673 -0.270) 17.011 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -8.734 15.005 -0.198) 17.363 3.518 ( 0.679 -1.086 -0.107) 1.285 4.052 ( -3.817 6.473 0.067) 7.515 4.747 ( -8.760 15.273 0.035) 17.607 4.811 ( -3.019 5.653 -0.347) 6.418 4.935 ( -2.385 3.553 0.380) 4.296 5.468 ( 0.412 -1.208 0.447) 1.352 5.553 ( 1.488 -2.184 -0.023) 2.643 6.271 ( 0.603 -1.088 -0.215) 1.262 6.445 ( 1.148 -2.255 0.262) 2.544 6.859 ( 4.468 -3.929 -1.216) 6.073 6.912 ( 2.997 -8.700 1.146) 9.272 14.233 ( 3.465 -5.867 0.052) 6.814 14.505 ( -0.912 1.482 0.072) 1.742 15.631 ( -5.070 8.723 -0.079) 10.089 19.268 ( -6.795 11.780 -0.015) 13.600 20.659 ( 6.871 -11.713 0.524) 13.589 21.703 ( 8.184 -14.302 -0.369) 16.483 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -12.159 7.991 -0.245) 14.552 3.440 ( -10.003 2.251 -0.050) 10.254 4.010 ( -5.234 1.462 -0.002) 5.434 4.681 ( -11.485 9.355 -0.097) 14.813 4.845 ( -3.213 8.948 -0.133) 9.509 4.908 ( -4.075 2.288 0.296) 4.683 5.430 ( -2.687 -2.282 0.693) 3.592 5.547 ( 0.028 -2.321 -0.265) 2.336 6.257 ( -0.613 -2.248 -0.158) 2.336 6.468 ( 3.019 -1.829 0.243) 3.538 6.829 ( -1.348 -5.933 0.211) 6.088 6.878 ( 3.280 -7.792 -0.291) 8.459 14.283 ( 8.867 -3.711 0.070) 9.612 14.668 ( 11.574 9.479 0.046) 14.960 15.657 ( -1.814 8.373 -0.091) 8.568 19.225 ( -8.712 7.300 -0.006) 11.366 20.726 ( 10.404 -6.014 0.509) 12.028 21.758 ( 12.759 -11.317 -0.360) 17.059 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -15.362 -3.860 -0.188) 15.841 3.236 ( -21.238 13.253 -0.049) 25.034 3.902 ( -5.099 -5.003 -0.086) 7.143 4.543 ( -13.194 6.275 -0.092) 14.611 4.838 ( -4.990 0.333 -0.048) 5.001 4.866 ( -4.752 8.106 0.232) 9.399 5.333 ( -6.001 -2.157 1.197) 6.488 5.486 ( -4.360 -2.721 -0.736) 5.192 6.187 ( -4.025 -4.067 0.137) 5.723 6.442 ( -2.956 -7.392 -0.266) 7.966 6.795 ( 3.937 -1.119 2.341) 4.715 6.875 ( 4.307 -3.990 -2.185) 6.265 14.493 ( 17.550 -0.841 0.056) 17.570 15.053 ( 16.952 14.633 -0.005) 22.395 15.741 ( 3.944 4.921 -0.097) 6.307 19.129 ( -6.952 1.915 -0.004) 7.211 20.876 ( 8.890 0.249 0.341) 8.900 21.908 ( 15.204 -8.526 -0.228) 17.433 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -22.425 -5.473 -0.020) 23.083 2.965 ( -25.010 12.881 -0.051) 28.132 3.718 ( -8.302 -8.730 -0.147) 12.048 4.343 ( -15.225 3.778 -0.093) 15.687 4.733 ( -5.946 -1.879 0.177) 6.239 4.851 ( -5.118 5.915 0.067) 7.822 5.178 ( -9.956 -1.340 1.459) 10.151 5.328 ( -9.970 -2.794 -0.800) 10.385 6.037 ( -8.053 -3.871 -0.226) 8.938 6.235 ( -8.918 -9.358 -0.064) 12.927 6.911 ( 7.092 -0.766 2.357) 7.513 6.983 ( 10.592 2.002 -2.283) 11.018 14.874 ( 24.866 1.446 0.038) 24.909 15.517 ( 15.809 17.101 -0.102) 23.289 15.910 ( 13.870 -1.023 -0.202) 13.910 19.035 ( -3.805 -1.362 -0.022) 4.041 21.015 ( 3.837 3.496 0.181) 5.194 22.095 ( 13.822 -6.132 -0.139) 15.122 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.000 29.320 0.641) 29.327 1.641 ( -0.000 23.383 0.422) 23.387 2.820 ( -0.000 37.198 0.184) 37.198 3.598 ( 0.000 11.422 -0.245) 11.424 4.375 ( -0.000 23.955 1.441) 23.999 4.571 ( -0.000 3.021 0.127) 3.023 4.645 ( -0.000 1.674 -0.020) 1.674 4.807 ( 0.000 7.386 -1.153) 7.476 5.444 ( -0.000 18.054 1.399) 18.108 5.685 ( 0.000 14.281 -4.281) 14.909 7.326 ( -0.000 -8.606 5.257) 10.084 7.611 ( 0.000 -15.286 -3.664) 15.719 15.971 ( 0.000 -19.554 0.148) 19.555 16.518 ( -0.000 -33.817 0.735) 33.825 16.910 ( 0.000 -21.606 -4.607) 22.091 19.054 ( 0.000 -0.751 -0.105) 0.758 20.697 ( -0.000 15.240 3.020) 15.536 22.183 ( 0.000 19.046 -8.147) 20.715 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 5.458 28.339 0.629) 28.867 2.060 ( 17.837 20.691 0.378) 27.320 3.164 ( 0.132 29.059 0.022) 29.059 3.794 ( 7.834 12.213 -0.351) 14.514 4.517 ( -3.012 12.470 1.039) 12.871 4.690 ( 4.327 2.535 -0.282) 5.023 4.750 ( 7.542 11.088 1.368) 13.480 4.911 ( 2.096 10.153 -1.236) 10.440 5.632 ( 1.817 15.250 0.731) 15.375 5.831 ( 0.372 14.232 -2.709) 14.492 7.226 ( -2.586 -8.610 3.858) 9.782 7.419 ( -3.297 -14.471 -2.659) 15.078 15.755 ( -2.325 -21.958 0.159) 22.081 16.137 ( -4.500 -27.989 0.238) 28.350 16.618 ( -7.261 -21.235 -2.669) 22.600 19.009 ( -3.371 0.186 -0.069) 3.377 20.915 ( 8.081 7.447 2.198) 11.207 22.281 ( -3.597 8.429 -4.286) 10.117 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 10.468 25.202 0.409) 27.292 2.613 ( 20.297 19.864 0.386) 28.403 3.414 ( 1.316 18.118 -0.120) 18.166 4.084 ( 9.531 13.269 -0.431) 16.343 4.606 ( 1.428 7.836 0.928) 8.019 4.801 ( 4.901 3.085 -0.397) 5.805 5.001 ( 6.022 11.912 1.976) 13.493 5.082 ( 4.954 11.242 -1.264) 12.351 5.825 ( 4.661 11.361 0.656) 12.297 5.964 ( -0.031 12.247 -1.959) 12.402 7.077 ( -4.936 -8.599 1.654) 10.053 7.208 ( -4.419 -12.224 -0.865) 13.027 15.373 ( -12.167 -25.914 0.041) 28.629 15.899 ( 2.272 -15.835 0.056) 15.997 16.222 ( -13.085 -20.001 -1.273) 23.935 18.974 ( -1.147 1.761 -0.022) 2.102 21.075 ( 4.325 0.386 1.083) 4.475 22.211 ( -6.627 -2.619 -1.709) 7.327 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 11.560 19.818 0.135) 22.943 3.147 ( 14.051 23.950 0.299) 27.769 3.590 ( 4.362 7.458 -0.148) 8.641 4.376 ( 7.788 13.758 -0.414) 15.815 4.726 ( 3.698 5.988 0.780) 7.081 4.912 ( 2.799 5.365 -0.310) 6.059 5.199 ( 3.950 8.867 1.949) 9.901 5.286 ( 6.064 8.965 -1.228) 10.893 6.020 ( 5.509 6.506 0.671) 8.551 6.085 ( 3.375 8.950 -1.294) 9.653 6.896 ( -5.979 -7.454 0.125) 9.556 7.020 ( -3.914 -9.998 0.248) 10.740 14.887 ( -13.285 -22.909 -0.046) 26.482 15.749 ( -13.134 -22.867 -0.561) 26.377 15.843 ( -1.312 -2.325 0.112) 2.672 19.013 ( 2.306 3.976 0.007) 4.597 21.071 ( -2.488 -4.315 0.268) 4.988 22.008 ( -7.042 -12.000 -0.432) 13.920 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 10.416 13.615 -0.055) 17.142 3.536 ( -1.073 24.684 0.056) 24.707 3.769 ( 12.114 4.114 -0.022) 12.794 4.625 ( 4.692 13.412 -0.337) 14.213 4.853 ( 3.737 5.350 0.505) 6.545 5.003 ( -0.373 8.205 -0.092) 8.214 5.329 ( 2.426 5.155 1.568) 5.909 5.445 ( 3.797 4.789 -1.101) 6.210 6.132 ( 2.759 3.435 0.131) 4.408 6.271 ( 9.510 1.899 -0.170) 9.699 6.736 ( -4.779 -4.568 0.313) 6.618 6.873 ( -1.736 -8.708 -0.232) 8.882 14.475 ( -9.513 -17.363 -0.039) 19.798 15.262 ( -16.772 -18.366 -0.149) 24.872 15.837 ( -1.535 3.924 0.053) 4.214 19.136 ( 4.923 7.401 0.031) 8.889 20.914 ( -7.713 -8.022 -0.000) 11.129 21.747 ( -4.099 -18.420 -0.054) 18.870 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 8.038 8.319 -0.145) 11.569 3.633 ( -4.380 9.033 -0.097) 10.039 4.067 ( 5.778 17.665 0.047) 18.586 4.808 ( 1.514 11.825 -0.246) 11.924 4.956 ( 1.403 5.242 0.192) 5.430 5.066 ( -4.089 11.975 0.133) 12.654 5.403 ( 1.806 1.697 1.048) 2.691 5.507 ( 0.812 0.338 -0.731) 1.143 6.200 ( 2.989 -0.138 0.090) 2.994 6.402 ( 5.179 -3.538 0.044) 6.272 6.661 ( 1.407 -3.377 0.774) 3.740 6.791 ( 1.898 -7.312 -0.762) 7.593 14.215 ( -3.461 -10.936 -0.008) 11.470 14.815 ( -13.860 -14.793 0.024) 20.271 15.857 ( -4.869 10.652 -0.001) 11.712 19.325 ( 4.697 12.188 0.024) 13.062 20.664 ( -8.088 -12.108 0.147) 14.562 21.516 ( 1.317 -21.118 -0.135) 21.160 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( 4.748 4.076 -0.152) 6.259 3.609 ( -5.074 3.797 -0.137) 6.339 4.271 ( -4.873 19.361 0.029) 19.965 4.916 ( -1.218 8.617 -0.211) 8.705 5.000 ( -2.407 5.290 0.135) 5.813 5.101 ( -8.141 15.800 0.117) 17.774 5.437 ( 1.554 -0.999 0.580) 1.937 5.501 ( 0.899 -2.825 -0.275) 2.977 6.234 ( 2.003 -1.845 0.027) 2.723 6.402 ( 0.773 -3.444 0.090) 3.530 6.691 ( 6.525 -8.053 0.789) 10.394 6.775 ( 3.471 -6.029 -0.783) 7.001 14.124 ( 1.896 -5.654 0.014) 5.963 14.515 ( -4.810 -9.214 0.087) 10.394 15.875 ( -7.629 14.202 -0.045) 16.122 19.507 ( -2.313 16.113 -0.065) 16.278 20.439 ( 0.343 -14.926 0.437) 14.937 21.381 ( 7.654 -20.300 -0.294) 21.698 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -5.870 -1.978 -0.132) 6.196 3.607 ( -0.750 6.288 -0.157) 6.334 4.270 ( -14.438 13.896 0.020) 20.039 4.922 ( -6.408 5.603 -0.165) 8.513 4.994 ( -3.864 4.403 0.080) 5.859 5.099 ( -9.645 14.912 0.107) 17.759 5.435 ( -0.243 -2.025 0.506) 2.101 5.504 ( 2.226 -2.024 -0.201) 3.016 6.234 ( 0.547 -2.601 0.005) 2.658 6.397 ( 2.271 -2.753 0.067) 3.569 6.699 ( 5.278 -10.973 1.081) 12.224 6.770 ( 2.248 -4.521 -1.037) 5.154 14.126 ( 4.035 -4.425 0.030) 5.988 14.515 ( 10.349 -0.477 0.079) 10.360 15.874 ( -8.555 13.672 -0.056) 16.128 19.506 ( -12.806 9.869 -0.085) 16.168 20.444 ( 12.963 -7.413 0.504) 14.942 21.378 ( 13.612 -16.924 -0.332) 21.721 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( -11.323 -2.703 -0.130) 11.642 3.632 ( -5.704 8.446 -0.119) 10.192 4.064 ( -18.243 3.808 0.018) 18.636 4.819 ( -10.947 4.832 -0.155) 11.967 4.940 ( -5.550 1.203 0.052) 5.679 5.069 ( -7.999 9.560 0.161) 12.466 5.393 ( -2.657 -1.442 0.805) 3.128 5.513 ( -0.675 -0.029 -0.528) 0.857 6.200 ( -1.421 -2.622 0.081) 2.984 6.391 ( 0.471 -6.092 -0.041) 6.110 6.693 ( 5.144 -6.264 1.847) 8.313 6.770 ( 2.612 -2.320 -1.749) 3.907 14.217 ( 11.222 -2.489 0.020) 11.495 14.816 ( 19.846 4.635 0.027) 20.381 15.855 ( -6.829 9.528 -0.030) 11.722 19.323 ( -12.788 1.926 0.001) 12.932 20.674 ( 14.378 1.085 0.270) 14.422 21.510 ( 17.715 -11.771 -0.211) 21.271 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -17.184 -2.099 -0.052) 17.312 3.531 ( -21.278 13.394 -0.000) 25.143 3.769 ( -9.304 -8.304 -0.037) 12.471 4.637 ( -13.986 2.654 -0.255) 14.238 4.834 ( -6.620 -0.436 0.336) 6.643 5.010 ( -6.727 4.258 -0.012) 7.961 5.310 ( -5.939 -0.750 1.054) 6.078 5.455 ( -6.044 0.094 -0.697) 6.085 6.128 ( -4.796 -0.847 0.121) 4.871 6.274 ( -5.216 -7.032 -0.107) 8.756 6.773 ( 7.239 -2.167 1.335) 7.674 6.837 ( 6.976 0.923 -1.284) 7.153 14.477 ( 19.794 -0.496 -0.014) 19.800 15.266 ( 24.547 5.445 -0.104) 25.144 15.834 ( -2.613 3.277 0.021) 4.191 19.135 ( -8.804 -0.600 0.020) 8.824 20.919 ( 10.381 2.508 0.060) 10.680 21.745 ( 18.425 -5.554 -0.077) 19.244 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -0.000 27.911 0.410) 27.914 2.082 ( -0.000 19.757 0.457) 19.762 3.454 ( -0.000 24.543 0.072) 24.543 3.836 ( 0.000 11.768 -0.315) 11.772 4.636 ( -0.000 2.988 -0.048) 2.989 4.678 ( -0.000 1.707 0.195) 1.718 4.820 ( -0.000 18.887 2.023) 18.995 5.005 ( 0.000 12.247 -1.369) 12.323 5.774 ( -0.000 14.428 0.072) 14.428 5.987 ( 0.000 16.110 -1.771) 16.207 7.169 ( -0.000 -8.659 2.278) 8.954 7.296 ( 0.000 -13.906 -1.135) 13.953 15.547 ( 0.000 -21.666 0.156) 21.667 15.872 ( 0.000 -29.926 0.098) 29.927 16.463 ( 0.000 -20.751 -1.736) 20.823 19.038 ( 0.000 -0.734 -0.106) 0.742 20.919 ( -0.000 6.251 1.520) 6.433 22.376 ( 0.000 3.167 -2.638) 4.122 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 5.177 25.810 0.432) 26.328 2.446 ( 15.618 17.220 0.322) 23.250 3.632 ( -3.254 16.997 -0.014) 17.305 4.040 ( 8.644 11.748 -0.348) 14.589 4.676 ( 0.141 4.962 0.492) 4.988 4.723 ( 4.275 1.317 -0.222) 4.479 5.041 ( 3.931 13.915 1.960) 14.591 5.145 ( 1.553 12.618 -1.368) 12.786 5.915 ( 0.227 12.654 0.232) 12.658 6.128 ( -1.861 15.089 -1.477) 15.275 7.054 ( -2.464 -9.711 -0.946) 10.063 7.149 ( -2.467 -10.422 1.820) 10.863 15.278 ( -6.154 -23.849 0.071) 24.631 15.615 ( 4.629 -24.119 -0.006) 24.560 16.200 ( -6.289 -18.676 -0.883) 19.726 19.018 ( -1.271 0.722 -0.075) 1.464 21.001 ( 3.381 0.923 0.827) 3.601 22.314 ( -6.666 -2.933 -1.261) 7.391 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 6.382 21.861 0.172) 22.774 2.969 ( 23.719 15.140 0.327) 28.141 3.714 ( -3.383 11.631 -0.048) 12.114 4.335 ( 10.731 11.320 -0.385) 15.603 4.747 ( 1.609 5.857 0.714) 6.115 4.847 ( 7.592 1.621 -0.351) 7.771 5.228 ( 3.372 8.995 1.607) 9.740 5.298 ( 2.704 10.042 -1.097) 10.457 6.038 ( 0.921 9.289 0.291) 9.339 6.220 ( -3.420 12.871 -0.913) 13.349 6.900 ( -3.394 -8.684 -2.079) 9.552 7.002 ( -4.546 -7.686 2.493) 9.271 14.873 ( -11.275 -22.286 -0.051) 24.976 15.513 ( 6.641 -22.207 -0.110) 23.179 15.903 ( -7.285 -10.908 -0.217) 13.119 19.034 ( 0.810 3.985 -0.022) 4.067 21.021 ( 0.850 -5.433 0.227) 5.504 22.087 ( -11.996 -8.305 -0.385) 14.596 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 6.707 15.762 0.004) 17.129 3.534 ( 22.043 11.339 0.148) 24.789 3.768 ( -2.371 12.534 0.003) 12.756 4.626 ( 9.172 10.812 -0.384) 14.184 4.850 ( 3.023 5.712 0.620) 6.492 5.006 ( 7.010 3.935 -0.229) 8.042 5.348 ( 1.873 4.978 1.267) 5.468 5.430 ( 3.373 5.420 -0.914) 6.449 6.132 ( 1.615 4.458 0.110) 4.743 6.270 ( -3.090 8.722 -0.129) 9.254 6.768 ( -3.165 -4.744 -1.356) 5.862 6.843 ( -5.135 -7.285 1.370) 9.018 14.476 ( -10.351 -16.882 -0.069) 19.803 15.262 ( -7.513 -23.661 -0.141) 24.825 15.836 ( 4.256 0.585 0.087) 4.297 19.136 ( 3.955 7.955 0.032) 8.884 20.918 ( -3.329 -10.407 -0.143) 10.928 21.744 ( -13.781 -12.978 0.041) 18.931 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 5.966 10.238 -0.089) 11.850 3.713 ( -0.173 -0.434 -0.034) 0.469 4.121 ( 13.300 22.971 0.053) 26.544 4.861 ( 5.427 9.614 -0.293) 11.043 4.965 ( 3.338 5.337 0.366) 6.305 5.162 ( 4.071 7.356 -0.072) 8.408 5.404 ( 0.596 1.786 0.901) 2.087 5.515 ( 1.682 2.263 -0.684) 2.901 6.180 ( 0.541 1.184 0.007) 1.302 6.296 ( 0.809 1.009 0.183) 1.306 6.664 ( -5.172 -4.380 1.820) 7.018 6.713 ( -0.462 -5.065 -1.856) 5.414 14.189 ( -6.017 -10.356 -0.044) 11.977 14.860 ( -11.404 -19.722 -0.008) 22.781 15.968 ( 4.384 7.520 0.054) 8.705 19.335 ( 7.002 12.079 0.078) 13.962 20.702 ( -7.546 -12.530 -0.213) 14.628 21.370 ( -10.026 -17.767 0.114) 20.401 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 4.570 5.961 -0.121) 7.512 3.677 ( -2.269 -1.413 -0.031) 2.673 4.517 ( 4.073 22.385 -0.038) 22.753 5.006 ( 1.119 7.904 -0.080) 7.984 5.063 ( 1.191 5.025 0.042) 5.164 5.299 ( 2.321 8.663 0.006) 8.969 5.417 ( 0.284 -0.520 0.568) 0.821 5.519 ( -3.973 2.433 -0.372) 4.674 6.185 ( 0.513 -1.344 0.082) 1.441 6.321 ( 3.533 -4.426 -0.044) 5.663 6.544 ( -0.648 -7.643 1.318) 7.783 6.682 ( 1.156 -3.242 -1.165) 3.634 14.061 ( -0.415 -3.947 -0.020) 3.968 14.501 ( -8.098 -15.126 0.059) 17.157 16.106 ( -0.961 12.226 0.003) 12.263 19.617 ( 8.022 16.211 0.046) 18.088 20.409 ( -10.842 -12.125 0.060) 16.265 21.072 ( 0.157 -21.840 -0.088) 21.841 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( -0.721 1.646 -0.132) 1.802 3.631 ( -0.001 -0.254 -0.028) 0.256 4.675 ( -10.030 17.435 -0.060) 20.114 5.060 ( -3.002 5.814 -0.067) 6.543 5.096 ( -2.672 3.967 0.024) 4.783 5.398 ( 0.314 0.876 0.342) 0.991 5.430 ( -4.149 -1.872 -0.263) 4.559 5.443 ( -1.686 10.406 0.119) 10.543 6.183 ( 1.699 -2.816 0.159) 3.293 6.323 ( 2.555 -5.083 -0.266) 5.695 6.500 ( 4.333 -8.613 1.129) 9.707 6.679 ( 2.656 -3.250 -0.843) 4.281 14.057 ( 0.692 -1.034 -0.020) 1.245 14.330 ( 4.584 -8.105 0.087) 9.312 16.162 ( -7.024 12.097 -0.018) 13.988 19.844 ( -9.126 14.792 -0.224) 17.382 20.180 ( 5.433 -7.968 0.500) 9.657 20.957 ( 11.525 -20.349 -0.241) 23.388 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -7.449 -0.888 -0.121) 7.503 3.676 ( 2.432 1.315 -0.033) 2.765 4.517 ( -21.531 7.756 -0.035) 22.886 5.017 ( -7.074 3.134 -0.144) 7.738 5.051 ( -5.375 1.339 0.108) 5.541 5.302 ( -8.911 2.786 -0.012) 9.336 5.402 ( 0.156 -1.169 0.494) 1.279 5.529 ( 0.205 4.784 -0.290) 4.797 6.186 ( 0.804 -1.039 0.085) 1.317 6.312 ( 1.989 -5.295 -0.035) 5.657 6.526 ( 6.444 -4.810 1.087) 8.115 6.703 ( 2.843 -1.395 -0.941) 3.304 14.063 ( 3.649 -1.623 -0.019) 3.994 14.500 ( 17.188 -0.594 0.059) 17.199 16.104 ( -10.173 6.958 0.003) 12.325 19.612 ( -17.858 1.104 0.045) 17.892 20.422 ( 15.843 3.404 0.064) 16.204 21.065 ( 18.760 -11.111 -0.090) 21.804 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( -11.934 0.047 -0.086) 11.934 3.714 ( 0.561 0.068 -0.042) 0.567 4.119 ( -26.729 0.034 0.058) 26.729 4.872 ( -10.964 -0.181 -0.411) 10.973 4.951 ( -6.524 0.296 0.487) 6.549 5.165 ( -8.336 -0.155 -0.086) 8.338 5.379 ( -2.433 -0.270 0.666) 2.537 5.533 ( -2.372 0.216 -0.449) 2.423 6.180 ( -1.410 -0.099 0.039) 1.414 6.291 ( -1.084 0.181 0.175) 1.113 6.627 ( 7.316 -1.012 0.802) 7.429 6.751 ( 3.727 0.849 -0.851) 3.916 14.191 ( 11.986 -0.032 -0.043) 11.986 14.861 ( 22.946 -0.015 -0.009) 22.946 15.966 ( -8.751 0.037 0.054) 8.752 19.332 ( -13.865 0.024 0.077) 13.865 20.709 ( 14.454 -0.273 -0.214) 14.458 21.366 ( 20.497 0.204 0.116) 20.498 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -0.000 15.521 0.431) 15.527 2.600 ( -0.000 24.846 0.280) 24.848 3.821 ( -0.000 12.102 0.010) 12.102 4.061 ( 0.000 10.169 -0.292) 10.173 4.671 ( 0.000 0.723 -0.477) 0.866 4.733 ( -0.000 3.390 0.595) 3.441 5.154 ( -0.000 12.881 1.453) 12.963 5.261 ( 0.000 12.586 -0.993) 12.625 6.044 ( -0.000 11.806 0.213) 11.808 6.295 ( 0.000 14.385 -1.183) 14.434 6.960 ( 0.000 -11.084 -2.956) 11.471 7.098 ( -0.000 -5.859 3.664) 6.911 15.113 ( 0.000 -20.544 0.139) 20.545 15.302 ( 0.000 -25.988 -0.086) 25.988 16.065 ( 0.000 -17.555 -0.501) 17.562 19.024 ( 0.000 -0.584 -0.100) 0.593 20.990 ( -0.000 0.896 0.475) 1.014 22.334 ( 0.000 -5.481 -0.693) 5.524 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 16.127 12.727 0.355) 20.547 2.862 ( 2.247 22.151 0.195) 22.266 3.879 ( -3.454 8.013 0.006) 8.726 4.253 ( 9.334 9.026 -0.254) 12.987 4.723 ( 5.281 0.282 -0.377) 5.302 4.780 ( 1.263 3.803 0.520) 4.041 5.282 ( 1.187 9.046 0.699) 9.150 5.380 ( 0.168 10.012 -0.388) 10.021 6.142 ( -0.992 8.934 0.120) 8.990 6.407 ( -2.612 12.129 -0.479) 12.416 6.839 ( -1.102 -8.728 -2.874) 9.255 7.030 ( -3.588 -3.098 3.048) 5.636 14.828 ( -7.808 -19.668 -0.007) 21.161 15.143 ( 8.264 -22.122 -0.019) 23.615 15.867 ( -3.302 -13.673 -0.180) 14.068 19.036 ( 1.888 1.091 -0.073) 2.182 20.981 ( -1.070 -2.572 0.116) 2.788 22.194 ( -8.099 -7.648 -0.222) 11.142 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 4.405 15.054 0.084) 15.685 3.240 ( 21.824 11.614 0.205) 24.723 3.901 ( -1.679 7.074 0.038) 7.270 4.534 ( 11.831 8.366 -0.251) 14.492 4.845 ( 5.339 2.405 0.354) 5.866 4.869 ( 7.113 1.740 -0.123) 7.324 5.375 ( 0.863 5.322 0.248) 5.397 5.460 ( -0.185 5.779 -0.092) 5.783 6.191 ( -1.538 5.340 0.022) 5.557 6.441 ( -4.855 7.478 0.214) 8.918 6.748 ( -1.274 -3.570 -2.476) 4.528 6.917 ( -7.056 -1.894 2.151) 7.616 14.492 ( -9.566 -14.769 -0.077) 17.596 15.052 ( 4.106 -21.823 -0.030) 22.206 15.740 ( 2.516 -5.770 0.035) 6.295 19.129 ( 5.225 5.080 -0.018) 7.287 20.880 ( -4.516 -7.794 -0.168) 9.009 21.904 ( -14.814 -8.857 0.077) 17.260 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 3.281 11.092 -0.009) 11.568 3.631 ( 10.091 0.682 0.067) 10.114 4.066 ( 12.408 13.860 0.071) 18.602 4.808 ( 9.587 7.181 -0.265) 11.981 4.953 ( 3.883 3.858 0.417) 5.489 5.070 ( 12.237 2.413 -0.119) 12.474 5.421 ( -0.020 2.187 0.157) 2.193 5.493 ( 0.243 1.214 -0.119) 1.244 6.202 ( -1.574 2.412 -0.014) 2.880 6.397 ( -5.632 2.865 0.299) 6.326 6.700 ( -2.235 -0.702 -2.005) 3.084 6.758 ( -8.705 -1.816 1.722) 9.057 14.216 ( -7.791 -8.450 -0.071) 11.494 14.816 ( -5.890 -19.353 -0.013) 20.229 15.856 ( 11.724 1.088 0.075) 11.775 19.325 ( 8.198 10.102 0.058) 13.010 20.672 ( -6.639 -12.808 -0.343) 14.430 21.510 ( -18.825 -9.581 0.217) 21.124 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 2.928 6.906 -0.047) 7.502 3.676 ( -0.001 -2.699 0.047) 2.699 4.516 ( 17.365 14.694 0.008) 22.747 5.007 ( 6.271 4.914 -0.191) 7.969 5.061 ( 3.847 3.550 0.246) 5.240 5.300 ( 6.296 6.328 -0.086) 8.926 5.421 ( -1.099 -0.009 0.245) 1.125 5.517 ( 4.435 -2.160 -0.184) 4.937 6.187 ( -1.456 -0.144 -0.084) 1.466 6.317 ( -5.442 0.652 0.271) 5.487 6.560 ( -7.537 -4.167 0.089) 8.613 6.670 ( -2.337 -0.661 -0.231) 2.439 14.061 ( -3.246 -2.333 -0.042) 3.997 14.502 ( -9.076 -14.543 0.014) 17.143 16.105 ( 11.108 5.270 0.036) 12.295 19.616 ( 10.092 14.928 0.141) 18.019 20.414 ( -5.409 -15.165 -0.388) 16.105 21.068 ( -18.778 -10.929 0.219) 21.728 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 2.403 4.075 -0.053) 4.731 3.628 ( -1.705 -2.953 0.029) 3.409 4.873 ( 6.071 10.458 -0.021) 12.092 5.126 ( 2.031 3.616 -0.027) 4.147 5.144 ( 1.399 2.259 0.019) 2.657 5.372 ( 0.020 0.454 -0.033) 0.456 5.396 ( -0.497 -1.173 0.083) 1.277 5.613 ( 2.341 4.068 -0.025) 4.693 6.158 ( -0.524 -0.617 -0.022) 0.810 6.226 ( -2.193 -4.151 0.072) 4.695 6.430 ( -2.296 -3.203 0.211) 3.947 6.632 ( -0.346 -1.160 -0.204) 1.228 14.057 ( 1.857 3.187 -0.025) 3.689 14.235 ( -5.901 -10.150 0.032) 11.741 16.296 ( 3.100 5.359 0.004) 6.191 19.959 ( 9.491 16.144 0.137) 18.728 20.197 ( -5.572 -9.063 -0.175) 10.640 20.677 ( -8.059 -14.236 0.038) 16.359 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( -4.667 0.086 -0.101) 4.669 3.626 ( 3.484 -0.006 0.054) 3.484 4.874 ( -12.009 0.052 -0.038) 12.009 5.130 ( -3.790 -0.209 -0.145) 3.799 5.141 ( -3.057 0.274 0.137) 3.073 5.375 ( 0.697 -0.595 -0.146) 0.928 5.389 ( -0.216 0.492 0.235) 0.586 5.615 ( -4.403 -0.014 -0.053) 4.404 6.159 ( 0.861 -0.272 -0.029) 0.903 6.221 ( 4.372 0.316 0.111) 4.384 6.415 ( 2.695 -0.606 0.389) 2.790 6.646 ( 2.375 0.427 -0.362) 2.440 14.059 ( -3.703 0.030 -0.046) 3.703 14.233 ( 11.731 -0.066 0.059) 11.731 16.296 ( -6.225 0.009 0.007) 6.225 19.950 ( -18.422 0.241 0.229) 18.425 20.209 ( 10.573 -0.517 -0.299) 10.590 20.675 ( 16.125 0.259 0.070) 16.127 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -7.452 0.968 -0.101) 7.516 3.677 ( 2.442 -1.209 0.035) 2.725 4.518 ( -21.528 -7.712 -0.003) 22.868 5.012 ( -7.159 -3.094 -0.327) 7.806 5.057 ( -5.234 -1.301 0.375) 5.406 5.300 ( -8.909 -2.739 -0.112) 9.321 5.401 ( -0.016 0.692 0.423) 0.812 5.529 ( 0.323 -4.601 -0.269) 4.620 6.184 ( 0.897 0.986 -0.048) 1.333 6.317 ( 1.889 5.541 0.283) 5.862 6.517 ( 6.393 3.669 0.474) 7.386 6.708 ( 2.933 2.201 -0.573) 3.711 14.062 ( 3.625 1.589 -0.053) 3.959 14.500 ( 17.199 0.544 0.040) 17.208 16.105 ( -10.151 -6.913 0.040) 12.281 19.614 ( -17.970 -0.987 0.170) 17.997 20.415 ( 15.941 -3.850 -0.391) 16.404 21.070 ( 18.754 11.378 0.198) 21.937 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -0.000 10.743 0.333) 10.748 3.063 ( -0.000 20.343 0.165) 20.343 3.977 ( -0.000 3.939 0.040) 3.939 4.238 ( 0.000 7.216 -0.143) 7.218 4.675 ( 0.000 -0.003 -0.434) 0.434 4.804 ( -0.000 3.108 0.425) 3.137 5.360 ( -0.000 7.468 0.156) 7.469 5.472 ( -0.000 7.712 -0.030) 7.712 6.227 ( -0.000 5.579 0.046) 5.579 6.534 ( -0.000 7.350 0.298) 7.356 6.773 ( 0.000 -3.575 -2.741) 4.504 7.057 ( -0.000 0.172 2.269) 2.276 14.736 ( 0.000 -16.119 0.101) 16.120 14.828 ( 0.000 -20.211 -0.113) 20.211 15.758 ( 0.000 -12.341 -0.067) 12.341 19.014 ( 0.000 -0.368 -0.089) 0.379 20.981 ( 0.000 -1.364 -0.052) 1.365 22.189 ( 0.000 -7.669 -0.020) 7.669 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 14.971 7.777 0.250) 16.872 3.260 ( 0.845 16.532 0.085) 16.554 3.979 ( -1.800 2.274 0.055) 2.900 4.401 ( 10.063 5.602 -0.074) 11.517 4.718 ( 5.037 -0.453 -0.274) 5.065 4.850 ( 1.806 2.689 0.255) 3.249 5.424 ( -0.116 5.013 -0.106) 5.016 5.527 ( -0.904 4.607 0.060) 4.695 6.258 ( -0.970 2.579 0.094) 2.757 6.543 ( -2.233 -0.642 0.239) 2.335 6.769 ( -1.367 4.725 -1.764) 5.225 7.030 ( -4.727 1.407 1.385) 5.123 14.503 ( -6.805 -11.908 -0.051) 13.716 14.737 ( 7.249 -17.174 0.003) 18.641 15.646 ( 0.256 -8.054 0.025) 8.058 19.059 ( 5.218 1.040 -0.064) 5.321 20.919 ( -5.067 -3.061 -0.220) 5.924 22.037 ( -8.659 -6.977 0.146) 11.122 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 12.692 6.557 0.166) 14.286 3.439 ( 7.025 7.306 0.030) 10.135 4.012 ( 3.979 3.882 0.044) 5.559 4.674 ( 13.385 5.561 -0.048) 14.495 4.837 ( 10.000 -1.688 -0.036) 10.141 4.924 ( 3.889 2.085 0.068) 4.413 5.454 ( -0.823 2.581 -0.214) 2.717 5.534 ( -2.042 1.833 0.066) 2.745 6.255 ( -1.478 1.372 0.110) 2.019 6.478 ( -3.176 -1.887 0.013) 3.694 6.775 ( -3.677 4.725 -0.914) 6.056 6.922 ( -9.039 0.943 0.780) 9.121 14.283 ( -7.685 -5.791 -0.079) 9.623 14.670 ( 2.419 -14.698 -0.004) 14.896 15.656 ( 8.233 -2.634 0.070) 8.644 19.225 ( 10.710 3.901 -0.004) 11.398 20.733 ( -10.606 -5.804 -0.344) 12.095 21.753 ( -16.068 -5.519 0.240) 16.991 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 1.199 6.153 0.038) 6.268 3.606 ( 5.912 -2.530 0.122) 6.432 4.271 ( 19.115 5.482 0.006) 19.885 4.914 ( 8.198 3.096 -0.019) 8.763 5.001 ( 5.801 0.800 0.075) 5.857 5.103 ( 17.546 0.775 -0.032) 17.563 5.448 ( -1.647 0.613 -0.304) 1.784 5.496 ( -3.022 -0.363 0.132) 3.046 6.234 ( -2.391 0.788 0.000) 2.517 6.403 ( -3.718 -0.933 0.057) 3.833 6.713 ( -8.868 1.439 -1.336) 9.083 6.754 ( -8.092 0.087 1.228) 8.185 14.125 ( -5.883 -1.206 -0.047) 6.005 14.516 ( -5.577 -8.735 -0.030) 10.363 15.874 ( 16.156 0.498 0.053) 16.164 19.506 ( 15.025 5.997 0.087) 16.178 20.448 ( -13.149 -7.089 -0.409) 14.944 21.374 ( -21.335 -3.541 0.255) 21.628 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 1.791 0.140 0.091) 1.799 3.630 ( -0.135 -0.090 0.023) 0.164 4.674 ( 20.092 0.023 0.042) 20.092 5.060 ( 6.623 0.206 0.065) 6.627 5.097 ( 4.674 -0.222 -0.036) 4.679 5.402 ( 1.843 0.760 -0.298) 2.016 5.427 ( -2.194 -2.943 0.205) 3.677 5.444 ( 11.156 2.128 -0.043) 11.357 6.185 ( -3.255 0.044 -0.114) 3.257 6.320 ( -5.777 -0.226 0.181) 5.784 6.515 ( -9.927 -0.452 -0.916) 9.980 6.668 ( -3.777 0.533 0.721) 3.882 14.057 ( -1.272 0.058 0.014) 1.273 14.331 ( -9.318 -0.058 -0.061) 9.318 16.162 ( 14.009 -0.025 0.013) 14.009 19.842 ( 17.283 -0.350 0.155) 17.287 20.186 ( -9.645 0.503 -0.353) 9.665 20.954 ( -23.297 -0.139 0.173) 23.298 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 2.436 -3.996 0.131) 4.682 3.626 ( -1.740 3.000 -0.070) 3.468 4.874 ( 6.072 -10.379 0.049) 12.025 5.129 ( 1.752 -3.470 0.146) 3.890 5.142 ( 1.739 -2.410 -0.135) 2.975 5.374 ( -0.751 -0.045 0.150) 0.767 5.390 ( 0.358 0.459 -0.267) 0.640 5.614 ( 2.216 -3.873 0.067) 4.463 6.159 ( -0.730 0.555 0.041) 0.917 6.222 ( -1.860 4.052 -0.152) 4.461 6.418 ( -2.168 2.122 -0.508) 3.076 6.643 ( -0.576 2.156 0.476) 2.281 14.058 ( 1.883 -3.185 0.060) 3.701 14.233 ( -5.941 10.118 -0.077) 11.733 16.296 ( 3.119 -5.379 -0.009) 6.218 19.952 ( 9.514 -15.836 -0.305) 18.477 20.206 ( -5.877 8.816 0.396) 10.603 20.675 ( -7.793 14.174 -0.091) 16.176 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -0.890 -1.542 -0.000) 1.781 3.631 ( 0.170 0.294 -0.000) 0.340 4.676 ( -10.072 -17.445 -0.000) 20.144 5.061 ( -3.203 -5.548 -0.000) 6.407 5.096 ( -2.460 -4.260 -0.000) 4.919 5.392 ( 0.117 0.202 -0.000) 0.233 5.437 ( 1.724 2.986 0.000) 3.448 5.438 ( -7.368 -12.761 -0.000) 14.735 6.180 ( 1.657 2.871 -0.000) 3.315 6.327 ( 2.784 4.822 -0.000) 5.568 6.483 ( 4.693 8.129 -0.000) 9.386 6.691 ( 2.232 3.866 -0.000) 4.464 14.057 ( 0.600 1.039 -0.000) 1.200 14.329 ( 4.652 8.057 0.000) 9.303 16.162 ( -6.979 -12.088 -0.000) 13.958 19.848 ( -8.757 -15.168 -0.000) 17.514 20.171 ( 4.796 8.308 -0.000) 9.593 20.961 ( 11.755 20.359 -0.000) 23.509 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -0.000 5.476 0.192) 5.479 3.413 ( -0.000 13.411 0.072) 13.411 4.002 ( -0.000 -0.978 0.060) 0.980 4.349 ( -0.000 3.642 -0.025) 3.642 4.673 ( 0.000 -0.016 -0.109) 0.110 4.856 ( -0.000 1.751 0.019) 1.751 5.469 ( 0.000 3.394 -0.198) 3.400 5.574 ( -0.000 2.797 -0.027) 2.797 6.279 ( -0.000 0.361 0.245) 0.437 6.537 ( 0.000 -2.934 -0.192) 2.940 6.848 ( 0.000 6.918 -0.580) 6.942 7.094 ( -0.000 1.840 0.578) 1.929 14.478 ( 0.000 -8.901 0.047) 8.901 14.501 ( 0.000 -11.312 -0.093) 11.313 15.568 ( 0.000 -6.246 0.042) 6.246 19.008 ( 0.000 -0.154 -0.073) 0.171 20.950 ( 0.000 -1.287 -0.306) 1.323 22.054 ( -0.000 -5.128 0.229) 5.133 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 14.419 2.583 0.138) 14.649 3.509 ( -1.258 6.979 0.049) 7.091 3.991 ( 0.756 -0.479 0.027) 0.896 4.478 ( 10.898 1.904 -0.019) 11.063 4.710 ( 4.074 -0.167 0.131) 4.080 4.887 ( 2.011 0.837 -0.189) 2.186 5.489 ( -0.571 1.447 -0.259) 1.577 5.582 ( -1.405 1.228 -0.059) 1.867 6.277 ( -0.363 -0.022 0.292) 0.466 6.498 ( -1.562 -1.648 -0.253) 2.285 6.883 ( -2.668 4.139 0.122) 4.926 7.062 ( -5.171 0.746 -0.077) 5.225 14.354 ( -4.928 -2.882 -0.069) 5.710 14.476 ( 5.079 -7.600 -0.002) 9.141 15.537 ( 2.405 -2.642 0.059) 3.573 19.074 ( 7.439 0.453 -0.045) 7.453 20.871 ( -7.579 -1.280 -0.380) 7.696 21.935 ( -8.826 -2.769 0.284) 9.254 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 17.299 -0.047 0.153) 17.300 3.516 ( -1.297 0.034 0.080) 1.300 4.053 ( 7.553 -0.052 -0.051) 7.554 4.748 ( 17.585 0.040 -0.027) 17.585 4.804 ( 6.560 0.137 0.277) 6.567 4.943 ( 4.097 -0.198 -0.303) 4.113 5.478 ( -1.276 -0.225 -0.380) 1.351 5.552 ( -2.757 0.188 0.061) 2.764 6.267 ( -0.980 -0.041 0.183) 0.998 6.451 ( -2.680 -0.074 -0.243) 2.692 6.840 ( -4.977 0.923 0.625) 5.100 6.929 ( -9.643 -0.812 -0.552) 9.692 14.234 ( -6.841 0.051 -0.041) 6.841 14.506 ( 1.770 -0.037 -0.055) 1.772 15.630 ( 10.102 -0.022 0.061) 10.102 19.268 ( 13.520 0.004 0.011) 13.520 20.669 ( -13.609 0.073 -0.407) 13.615 21.696 ( -16.430 -0.050 0.289) 16.432 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 1.238 -6.094 0.148) 6.220 3.606 ( 5.885 2.519 0.101) 6.402 4.271 ( 19.177 -5.547 -0.037) 19.963 4.919 ( 8.155 -2.755 0.296) 8.613 4.996 ( 5.769 -1.182 -0.227) 5.894 5.101 ( 17.585 -0.828 -0.126) 17.605 5.442 ( -1.660 -1.036 -0.565) 2.037 5.500 ( -2.945 0.723 0.314) 3.049 6.234 ( -2.383 -0.820 -0.005) 2.520 6.399 ( -3.741 0.635 -0.169) 3.798 6.715 ( -12.021 -0.637 -1.297) 12.107 6.754 ( -4.998 -0.626 1.354) 5.216 14.126 ( -5.876 1.275 0.003) 6.013 14.516 ( -5.587 8.708 -0.081) 10.346 15.873 ( 16.147 -0.557 0.027) 16.157 19.505 ( 14.927 -6.091 0.033) 16.121 20.450 ( -12.985 7.382 -0.310) 14.940 21.374 ( -21.397 3.385 0.220) 21.664 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( 2.963 -6.889 0.151) 7.500 3.676 ( -0.042 2.759 0.017) 2.759 4.517 ( 17.466 -14.750 0.034) 22.861 5.015 ( 6.226 -4.635 0.285) 7.767 5.053 ( 3.895 -3.896 -0.271) 5.516 5.302 ( 6.745 -6.318 0.051) 9.242 5.406 ( -1.148 -0.394 -0.640) 1.372 5.527 ( 4.135 2.500 0.396) 4.848 6.187 ( -1.328 0.154 -0.064) 1.339 6.312 ( -5.532 -0.834 -0.071) 5.595 6.534 ( -7.602 3.187 -1.291) 8.343 6.696 ( -2.434 1.692 1.193) 3.195 14.063 ( -3.241 2.346 0.038) 4.002 14.500 ( -9.109 14.573 -0.069) 17.186 16.104 ( 11.122 -5.318 -0.018) 12.328 19.612 ( 9.934 -14.886 -0.105) 17.897 20.422 ( -5.127 15.308 0.091) 16.145 21.065 ( -18.911 10.768 0.006) 21.762 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( -0.000 -0.099 0.060) 0.116 3.564 ( -0.000 0.008 0.066) 0.067 3.978 ( -0.000 -0.048 0.003) 0.048 4.385 ( 0.000 -0.003 -0.046) 0.046 4.676 ( -0.000 0.244 0.399) 0.468 4.871 ( 0.000 -0.202 -0.433) 0.478 5.499 ( 0.000 -0.283 -0.401) 0.491 5.602 ( 0.000 0.236 -0.040) 0.240 6.279 ( -0.000 -0.049 0.391) 0.394 6.503 ( 0.000 -0.005 -0.323) 0.323 6.935 ( -0.000 0.766 0.844) 1.140 7.108 ( 0.000 -0.699 -0.755) 1.029 14.384 ( 0.000 0.044 -0.058) 0.073 14.386 ( 0.000 -0.049 -0.016) 0.052 15.505 ( -0.000 -0.001 0.057) 0.057 19.007 ( 0.000 0.035 -0.048) 0.060 20.935 ( 0.000 0.025 -0.429) 0.430 22.000 ( -0.000 -0.028 0.322) 0.323 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 14.461 -2.752 0.057) 14.721 3.510 ( -1.236 -6.988 0.080) 7.097 3.990 ( 0.744 0.434 -0.023) 0.862 4.478 ( 10.911 -1.845 -0.018) 11.066 4.715 ( 4.011 0.525 0.495) 4.076 4.881 ( 2.027 -1.211 -0.548) 2.423 5.481 ( -0.534 -1.987 -0.655) 2.159 5.587 ( -1.421 -0.812 0.165) 1.645 6.277 ( -0.385 -0.094 0.329) 0.515 6.496 ( -1.594 1.561 -0.382) 2.264 6.903 ( -2.621 -2.557 1.445) 3.937 7.045 ( -5.193 -2.090 -1.262) 5.738 14.354 ( -4.908 2.917 -0.038) 5.709 14.475 ( 5.069 7.570 -0.053) 9.111 15.538 ( 2.391 2.640 0.068) 3.562 19.075 ( 7.430 -0.396 -0.018) 7.441 20.869 ( -7.551 1.344 -0.448) 7.683 21.936 ( -8.842 2.712 0.326) 9.254 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 12.965 -6.551 0.180) 14.527 3.439 ( 6.925 -7.466 0.042) 10.184 4.010 ( 3.930 -3.863 -0.044) 5.511 4.679 ( 13.712 -5.333 0.209) 14.714 4.842 ( 9.483 1.732 0.251) 9.643 4.914 ( 4.008 -2.359 -0.536) 4.682 5.441 ( -0.717 -3.116 -0.912) 3.324 5.542 ( -2.059 -1.467 0.462) 2.570 6.255 ( -1.509 -1.489 0.102) 2.122 6.472 ( -3.227 1.599 -0.373) 3.621 6.816 ( -3.579 -3.136 1.735) 5.066 6.889 ( -9.163 -2.093 -1.463) 9.512 14.284 ( -7.665 5.819 -0.021) 9.623 14.669 ( 2.431 14.735 -0.061) 14.934 15.656 ( 8.182 2.616 0.059) 8.591 19.225 ( 10.654 -3.890 0.012) 11.342 20.732 ( -10.469 5.916 -0.383) 12.031 21.754 ( -16.140 5.452 0.276) 17.038 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 3.334 -11.142 0.144) 11.631 3.631 ( 10.171 -0.705 0.101) 10.196 4.064 ( 12.419 -13.896 -0.050) 18.636 4.818 ( 9.668 -7.073 0.316) 11.983 4.941 ( 3.831 -4.158 -0.268) 5.660 5.070 ( 12.243 -2.180 -0.123) 12.436 5.399 ( -0.038 -2.918 -0.983) 3.080 5.509 ( 0.361 -0.696 0.670) 1.031 6.201 ( -1.549 -2.497 -0.097) 2.940 6.391 ( -5.533 -2.703 -0.075) 6.159 6.705 ( -8.315 1.560 -1.955) 8.683 6.757 ( -2.948 0.886 1.973) 3.657 14.217 ( -7.780 8.468 0.008) 11.500 14.816 ( -5.908 19.475 -0.024) 20.352 15.855 ( 11.686 -1.137 0.001) 11.741 19.323 ( 8.078 -10.099 -0.024) 12.932 20.675 ( -6.340 12.920 -0.151) 14.392 21.508 ( -18.998 9.505 0.139) 21.243 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 0.000 -5.650 -0.004) 5.650 3.413 ( 0.000 -13.495 0.071) 13.495 4.001 ( -0.000 1.020 0.028) 1.020 4.350 ( 0.000 -3.508 0.023) 3.508 4.683 ( -0.000 0.233 0.560) 0.606 4.845 ( 0.000 -2.032 -0.650) 2.133 5.453 ( 0.000 -3.999 -1.048) 4.134 5.584 ( -0.000 -2.401 0.424) 2.439 6.280 ( -0.000 -0.560 0.290) 0.631 6.532 ( 0.000 2.678 -0.469) 2.718 6.888 ( -0.000 -5.122 1.914) 5.468 7.061 ( 0.000 -3.097 -1.549) 3.463 14.476 ( -0.000 8.810 -0.079) 8.810 14.503 ( -0.000 11.399 -0.014) 11.399 15.569 ( -0.000 6.306 0.096) 6.307 19.009 ( 0.000 0.223 -0.011) 0.223 20.947 ( 0.000 1.302 -0.475) 1.386 22.055 ( -0.000 5.116 0.337) 5.127 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 15.089 -7.914 0.044) 17.038 3.260 ( 0.856 -16.653 0.056) 16.676 3.980 ( -1.828 -2.181 0.068) 2.846 4.404 ( 10.171 -5.397 0.125) 11.515 4.729 ( 4.832 0.467 0.386) 4.870 4.836 ( 1.832 -2.862 -0.583) 3.448 5.400 ( -0.010 -5.706 -1.390) 5.872 5.542 ( -0.933 -4.184 0.728) 4.348 6.257 ( -0.983 -2.830 0.028) 2.996 6.534 ( -2.218 0.518 -0.333) 2.302 6.829 ( -1.506 -2.973 1.825) 3.800 6.983 ( -4.681 -2.673 -1.393) 5.567 14.503 ( -6.715 11.881 -0.055) 13.647 14.736 ( 7.211 17.232 -0.032) 18.680 15.647 ( 0.191 8.169 0.126) 8.172 19.060 ( 5.187 -0.991 0.014) 5.281 20.915 ( -4.978 3.054 -0.442) 5.857 22.040 ( -8.713 7.013 0.304) 11.189 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 4.404 -15.185 0.167) 15.811 3.236 ( 22.033 -11.780 -0.035) 24.985 3.902 ( -1.759 -6.946 0.079) 7.165 4.542 ( 12.013 -8.274 0.222) 14.588 4.838 ( 3.038 -3.943 -0.102) 4.979 4.867 ( 9.156 -0.278 -0.208) 9.163 5.342 ( 1.014 -6.140 -1.475) 6.396 5.481 ( -0.144 -5.240 0.915) 5.322 6.188 ( -1.513 -5.476 -0.173) 5.684 6.441 ( -4.887 -6.400 0.180) 8.055 6.805 ( -2.163 3.789 -0.384) 4.380 6.865 ( -6.367 0.873 0.380) 6.437 14.493 ( -9.516 14.774 -0.029) 17.573 15.053 ( 4.188 21.968 0.018) 22.363 15.741 ( 2.325 5.865 0.090) 6.310 19.129 ( 5.140 -5.066 0.012) 7.217 20.878 ( -4.276 7.768 -0.301) 8.872 21.906 ( -14.965 8.946 0.217) 17.436 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 0.000 -10.860 0.029) 10.860 3.062 ( 0.000 -20.465 0.081) 20.466 3.979 ( -0.000 -3.842 0.146) 3.845 4.242 ( 0.000 -7.062 0.110) 7.063 4.687 ( -0.000 -0.061 0.282) 0.288 4.789 ( 0.000 -3.147 -0.477) 3.183 5.323 ( 0.000 -8.326 -1.798) 8.518 5.493 ( -0.000 -7.206 0.978) 7.272 6.223 ( 0.000 -5.777 -0.178) 5.780 6.534 ( -0.000 -5.511 0.242) 5.516 6.843 ( -0.000 3.482 0.937) 3.606 6.998 ( 0.000 -1.525 -0.800) 1.722 14.732 ( -0.000 16.051 -0.133) 16.052 14.830 ( -0.000 20.284 0.041) 20.284 15.763 ( -0.000 12.627 0.219) 12.628 19.016 ( -0.000 0.429 0.035) 0.431 20.974 ( 0.000 1.258 -0.439) 1.332 22.194 ( -0.000 7.839 0.279) 7.844 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 16.231 -12.897 0.078) 20.732 2.860 ( 2.212 -22.231 0.077) 22.341 3.882 ( -3.476 -7.935 0.175) 8.665 4.259 ( 9.434 -8.959 0.107) 13.010 4.734 ( 5.241 -0.199 0.159) 5.247 4.764 ( 1.117 -3.946 -0.371) 4.118 5.235 ( 1.386 -9.882 -1.902) 10.158 5.408 ( 0.140 -9.565 1.032) 9.621 6.138 ( -0.992 -8.664 -0.112) 8.721 6.422 ( -2.817 -11.129 0.475) 11.490 6.898 ( -1.407 8.493 -1.719) 8.779 6.967 ( -3.229 2.389 1.593) 4.321 14.827 ( -7.648 19.611 -0.087) 21.050 15.144 ( 8.228 22.206 0.038) 23.681 15.874 ( -3.473 14.118 0.271) 14.542 19.038 ( 1.829 -1.055 0.047) 2.112 20.974 ( -0.929 2.380 -0.338) 2.577 22.201 ( -8.196 7.996 0.203) 11.452 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.000 -15.578 0.146) 15.578 2.597 ( 0.000 -24.986 0.136) 24.987 3.824 ( 0.000 -12.101 0.231) 12.103 4.066 ( 0.000 -10.164 0.014) 10.164 4.682 ( 0.000 -0.586 0.005) 0.586 4.718 ( 0.000 -3.501 -0.148) 3.504 5.095 ( 0.000 -13.404 -2.042) 13.559 5.293 ( -0.000 -12.519 0.857) 12.548 6.047 ( -0.000 -10.789 0.421) 10.797 6.316 ( 0.000 -14.377 0.120) 14.377 6.991 ( 0.000 6.824 -4.006) 7.913 7.056 ( -0.000 9.638 4.010) 10.439 15.108 ( -0.000 20.510 -0.166) 20.511 15.306 ( -0.000 25.986 0.114) 25.986 16.081 ( -0.000 18.367 0.440) 18.372 19.027 ( -0.000 0.629 0.080) 0.634 20.978 ( 0.000 -1.234 -0.223) 1.254 22.347 ( -0.000 6.209 0.074) 6.209 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.099 ( -0.000 0.000 4.316) 4.316 0.099 ( -0.000 0.000 4.316) 4.316 0.194 ( -0.000 0.000 7.860) 7.860 3.191 ( 0.000 -0.000 -0.194) 0.194 3.191 ( 0.000 -0.000 -0.194) 0.194 4.479 ( -0.000 0.000 0.477) 0.477 4.479 ( -0.000 0.000 0.477) 0.477 4.562 ( 0.000 -0.000 -0.419) 0.419 4.562 ( 0.000 -0.000 -0.419) 0.419 4.686 ( 0.000 -0.000 -0.605) 0.605 7.943 ( -0.000 0.000 1.519) 1.519 8.314 ( 0.000 -0.000 -0.596) 0.596 16.634 ( -0.000 0.000 0.006) 0.006 16.634 ( -0.000 0.000 0.006) 0.006 18.237 ( 0.000 -0.000 -0.026) 0.026 19.083 ( 0.000 -0.000 -0.003) 0.003 19.083 ( 0.000 -0.000 -0.003) 0.003 19.631 ( 0.000 -0.000 -0.347) 0.347 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 16.169 9.335 3.492) 18.994 0.600 ( 23.974 13.841 0.918) 27.698 1.009 ( 42.343 24.447 0.400) 48.895 3.239 ( 4.180 2.414 -0.230) 4.833 3.386 ( 15.414 8.899 -0.256) 17.800 4.497 ( 1.150 0.664 0.537) 1.432 4.568 ( 0.807 0.466 -0.470) 1.044 4.669 ( 2.506 1.447 -1.093) 3.093 4.724 ( 9.519 5.496 1.149) 11.051 5.114 ( 22.082 12.749 -18.661) 31.598 7.681 ( -10.671 -6.161 12.349) 17.445 8.174 ( -8.485 -4.899 -3.997) 10.582 16.551 ( -6.878 -3.971 0.006) 7.942 17.549 ( -1.605 -0.926 -21.790) 21.869 18.202 ( -34.066 -19.668 5.100) 39.666 19.081 ( -0.237 -0.137 -0.000) 0.274 19.572 ( 66.917 38.634 -19.701) 79.741 20.358 ( 41.407 23.906 -32.419) 57.767 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 23.781 13.730 1.331) 27.493 1.151 ( 22.633 13.067 0.554) 26.140 1.976 ( 39.389 22.741 0.338) 45.483 3.380 ( 7.725 4.460 -0.233) 8.924 3.835 ( 21.318 12.308 0.161) 24.616 4.535 ( 2.006 1.158 0.362) 2.344 4.594 ( 1.378 0.795 -0.287) 1.617 4.705 ( 2.505 1.446 -1.058) 3.080 5.064 ( 16.673 9.626 2.537) 19.419 5.449 ( 11.814 6.821 -9.071) 16.382 7.506 ( -7.514 -4.338 8.278) 11.992 7.919 ( -11.863 -6.849 -4.902) 14.549 16.318 ( -12.769 -7.372 0.064) 14.744 17.179 ( -24.237 -13.994 -1.921) 28.053 17.447 ( -26.113 -15.076 -5.565) 30.662 19.072 ( -0.503 -0.290 -0.044) 0.583 20.459 ( 19.186 11.077 8.851) 23.856 21.369 ( 42.794 24.707 -28.641) 57.114 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 25.308 14.612 0.596) 29.230 1.656 ( 20.182 11.652 0.402) 23.308 2.828 ( 32.360 18.683 0.207) 37.366 3.590 ( 9.886 5.708 -0.222) 11.418 4.334 ( 20.315 11.729 1.287) 23.493 4.591 ( 2.670 1.542 0.077) 3.084 4.627 ( 1.373 0.793 0.018) 1.586 4.804 ( 6.423 3.708 -1.070) 7.493 5.479 ( 17.901 10.335 2.029) 20.770 5.679 ( 9.429 5.444 -4.804) 11.900 7.337 ( -8.298 -4.791 5.197) 10.901 7.621 ( -12.247 -7.071 -3.645) 14.603 15.966 ( -16.924 -9.771 0.147) 19.543 16.523 ( -28.734 -16.590 0.792) 33.189 16.927 ( -19.619 -11.327 -4.662) 23.129 19.058 ( -0.679 -0.392 -0.104) 0.791 20.790 ( 9.405 5.430 3.684) 11.468 22.071 ( 20.564 11.873 -8.823) 25.332 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 24.101 13.915 0.269) 27.831 2.095 ( 17.028 9.831 0.295) 19.664 3.462 ( 21.196 12.238 -0.026) 24.475 3.829 ( 10.281 5.936 -0.216) 11.873 4.647 ( 1.399 0.808 -0.490) 1.688 4.667 ( 2.587 1.493 0.625) 3.051 4.770 ( 16.205 9.356 2.204) 18.841 5.009 ( 11.170 6.449 -1.091) 12.944 5.866 ( 9.854 5.689 0.921) 11.416 5.911 ( 15.800 9.122 -2.715) 18.445 7.134 ( -9.695 -5.598 1.971) 11.367 7.351 ( -9.933 -5.735 -1.070) 11.520 15.543 ( -18.707 -10.800 0.210) 21.602 15.879 ( -26.065 -15.049 0.042) 30.098 16.474 ( -18.305 -10.568 -1.884) 21.220 19.041 ( -0.709 -0.410 -0.141) 0.831 20.946 ( 3.771 2.177 1.266) 4.535 22.339 ( 4.478 2.586 -2.262) 5.644 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 13.354 7.710 0.198) 15.421 2.608 ( 21.430 12.372 0.087) 24.745 3.826 ( 10.387 5.997 -0.144) 11.995 4.058 ( 8.946 5.165 -0.206) 10.333 4.665 ( 0.473 0.273 -0.244) 0.598 4.737 ( 2.975 1.717 0.422) 3.461 5.096 ( 11.217 6.476 2.097) 13.121 5.290 ( 11.615 6.706 -0.934) 13.445 6.062 ( 7.933 4.580 -0.120) 9.161 6.282 ( 14.577 8.416 -0.984) 16.861 6.904 ( -9.427 -5.443 -0.159) 10.886 7.163 ( -5.923 -3.419 0.691) 6.874 15.110 ( -17.715 -10.228 0.216) 20.457 15.305 ( -22.682 -13.095 -0.138) 26.191 16.072 ( -15.359 -8.868 -0.668) 17.748 19.025 ( -0.593 -0.343 -0.127) 0.697 20.989 ( 0.110 0.063 0.496) 0.512 22.328 ( -4.006 -2.313 -0.544) 4.658 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 9.225 5.326 0.100) 10.653 3.068 ( 17.527 10.119 -0.021) 20.238 3.981 ( 3.341 1.929 -0.106) 3.860 4.238 ( 6.308 3.642 -0.148) 7.285 4.673 ( 0.261 0.151 -0.320) 0.440 4.802 ( 2.397 1.384 0.491) 2.811 5.315 ( 7.283 4.205 1.614) 8.563 5.500 ( 6.046 3.490 -0.807) 7.027 6.224 ( 5.124 2.958 0.170) 5.919 6.548 ( 5.623 3.246 -0.165) 6.495 6.743 ( -1.298 -0.750 -1.253) 1.954 7.080 ( -1.294 -0.747 1.007) 1.802 14.734 ( -13.898 -8.024 0.161) 16.049 14.827 ( -17.598 -10.160 -0.080) 20.321 15.762 ( -10.769 -6.217 -0.228) 12.437 19.013 ( -0.386 -0.223 -0.066) 0.451 20.970 ( -1.442 -0.832 0.383) 1.708 22.195 ( -6.341 -3.661 -0.264) 7.327 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 4.687 2.706 0.005) 5.413 3.415 ( 11.573 6.682 -0.073) 13.364 4.003 ( -0.913 -0.527 -0.026) 1.054 4.349 ( 3.079 1.778 -0.018) 3.556 4.679 ( 0.344 0.199 -0.492) 0.632 4.847 ( 1.253 0.723 0.579) 1.558 5.447 ( 3.687 2.129 1.031) 4.380 5.582 ( 1.676 0.968 -0.410) 1.979 6.287 ( 0.712 0.411 -0.262) 0.863 6.527 ( -2.642 -1.525 0.412) 3.079 6.863 ( 6.679 3.856 -1.487) 7.855 7.085 ( 0.693 0.400 1.152) 1.403 14.477 ( -7.684 -4.437 0.079) 8.874 14.500 ( -9.822 -5.671 0.015) 11.342 15.571 ( -5.448 -3.145 -0.096) 6.291 19.007 ( -0.161 -0.093 0.011) 0.186 20.937 ( -1.196 -0.691 0.468) 1.459 22.063 ( -4.347 -2.510 -0.331) 5.030 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -0.111 -0.064 -0.078) 0.150 3.566 ( 0.010 0.006 -0.088) 0.088 3.978 ( -0.054 -0.031 -0.005) 0.062 4.384 ( -0.000 -0.000 0.058) 0.058 4.686 ( 0.301 0.174 -0.519) 0.624 4.860 ( -0.257 -0.148 0.568) 0.640 5.489 ( -0.280 -0.162 0.489) 0.586 5.601 ( 0.224 0.129 0.090) 0.274 6.289 ( -0.025 -0.015 -0.487) 0.488 6.495 ( -0.039 -0.023 0.369) 0.371 6.958 ( 1.143 0.660 -1.379) 1.909 7.086 ( -1.061 -0.612 1.291) 1.780 14.383 ( 0.050 0.029 0.075) 0.095 14.385 ( -0.056 -0.032 0.021) 0.068 15.507 ( -0.002 -0.001 -0.073) 0.073 19.006 ( 0.040 0.023 0.063) 0.078 20.924 ( 0.028 0.016 0.552) 0.553 22.008 ( -0.031 -0.018 -0.412) 0.413 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -4.896 -2.827 -0.133) 5.655 3.414 ( -11.684 -6.746 -0.102) 13.491 4.002 ( 0.929 0.536 -0.064) 1.074 4.350 ( -2.977 -1.719 0.003) 3.437 4.689 ( 0.073 0.042 -0.290) 0.302 4.838 ( -1.690 -0.976 0.418) 1.995 5.441 ( -3.853 -2.224 0.796) 4.519 5.588 ( -1.727 -0.997 -0.196) 2.004 6.284 ( -0.717 -0.414 -0.382) 0.912 6.526 ( 2.344 1.353 0.440) 2.742 6.907 ( -4.551 -2.628 -0.805) 5.316 7.046 ( -2.391 -1.381 0.581) 2.822 14.475 ( 7.602 4.389 0.023) 8.778 14.502 ( 9.901 5.716 0.076) 11.433 15.571 ( 5.491 3.170 -0.097) 6.342 19.009 ( 0.219 0.126 0.060) 0.260 20.940 ( 1.171 0.676 0.546) 1.459 22.060 ( 4.381 2.529 -0.394) 5.074 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -9.400 -5.427 -0.155) 10.855 3.062 ( -17.719 -10.230 -0.142) 20.461 3.980 ( -3.300 -1.905 -0.145) 3.813 4.243 ( -6.113 -3.530 -0.042) 7.059 4.688 ( -0.124 -0.071 -0.021) 0.144 4.786 ( -2.658 -1.535 0.201) 3.076 5.312 ( -7.390 -4.267 1.502) 8.665 5.499 ( -6.127 -3.537 -0.792) 7.119 6.222 ( -5.087 -2.937 0.133) 5.875 6.536 ( -4.456 -2.573 -0.350) 5.157 6.842 ( 2.261 1.305 1.053) 2.815 6.999 ( -0.768 -0.443 -0.974) 1.317 14.731 ( 13.882 8.015 0.084) 16.030 14.830 ( 17.593 10.157 0.006) 20.314 15.764 ( 10.978 6.338 -0.177) 12.677 19.016 ( 0.391 0.226 0.002) 0.451 20.972 ( 1.132 0.653 0.424) 1.374 22.196 ( 6.745 3.894 -0.249) 7.792 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -0.000 17.947 3.389) 18.264 0.584 ( -0.000 27.612 0.765) 27.623 1.020 ( -0.000 48.363 0.548) 48.366 3.243 ( 0.000 5.014 -0.191) 5.018 3.392 ( -0.000 18.599 -0.296) 18.601 4.487 ( -0.000 0.895 0.369) 0.968 4.577 ( 0.000 1.322 -0.309) 1.358 4.670 ( 0.000 3.876 -1.354) 4.106 4.709 ( -0.000 10.272 1.051) 10.325 5.062 ( 0.000 24.762 -17.033) 30.054 7.699 ( -0.000 -13.197 11.863) 17.745 8.166 ( 0.000 -9.986 -4.045) 10.774 16.554 ( 0.000 -7.822 0.038) 7.822 17.519 ( 0.000 2.924 -22.435) 22.625 18.206 ( -0.000 -45.511 5.327) 45.821 19.079 ( 0.000 -0.377 -0.029) 0.378 19.301 ( 0.000 70.198 -18.060) 72.484 20.511 ( 0.000 59.272 -28.041) 65.571 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 13.320 21.504 1.944) 25.370 1.094 ( 15.903 26.268 0.638) 30.714 1.687 ( 22.012 38.297 0.157) 44.172 3.363 ( 4.525 8.452 -0.467) 9.598 3.687 ( 10.618 20.052 0.284) 22.691 4.529 ( 2.120 2.240 0.572) 3.137 4.596 ( 0.564 2.383 -0.432) 2.487 4.692 ( 0.868 1.879 -1.091) 2.339 4.951 ( 9.392 14.960 2.771) 17.880 5.328 ( 8.891 12.981 -11.357) 19.405 7.565 ( -4.182 -8.683 9.376) 13.446 7.982 ( -6.600 -11.226 -5.222) 14.030 16.409 ( -6.027 -10.059 0.068) 11.727 17.321 ( -11.438 -16.338 -6.895) 21.103 17.588 ( -16.758 -34.357 -2.289) 38.295 19.031 ( -0.695 -1.764 -0.187) 1.905 20.250 ( 28.961 26.407 5.536) 39.582 21.138 ( 14.858 51.303 -31.231) 61.872 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 20.860 20.174 0.959) 29.035 1.614 ( 12.084 27.198 0.438) 29.765 2.479 ( 29.081 25.407 0.060) 38.617 3.553 ( 5.569 11.546 -0.351) 12.823 4.122 ( 16.646 14.949 1.013) 22.397 4.603 ( 1.875 5.492 0.557) 5.830 4.639 ( 0.620 3.692 -0.300) 3.756 4.754 ( 3.557 4.073 -1.029) 5.504 5.309 ( 13.923 12.711 2.815) 19.062 5.570 ( 8.657 8.211 -6.413) 13.546 7.413 ( -5.880 -7.576 6.508) 11.590 7.713 ( -9.275 -10.879 -4.668) 15.039 16.140 ( -12.725 -10.377 0.146) 16.420 16.763 ( -22.070 -25.860 1.197) 34.019 17.061 ( -14.011 -18.536 -6.237) 24.058 19.014 ( 1.585 -3.547 -0.074) 3.886 20.760 ( 8.878 13.662 5.383) 17.159 21.828 ( 20.386 24.280 -13.607) 34.500 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 21.936 18.564 0.468) 28.741 2.071 ( 9.237 25.514 0.229) 27.136 3.171 ( 25.252 14.440 -0.038) 29.090 3.786 ( 6.578 13.002 -0.235) 14.573 4.512 ( 13.342 5.018 1.215) 14.306 4.680 ( -0.659 4.803 -0.242) 4.854 4.737 ( 4.605 11.613 1.295) 12.559 4.908 ( 7.832 7.148 -1.067) 10.657 5.697 ( 16.159 9.779 1.959) 18.989 5.778 ( 8.223 6.180 -3.985) 11.031 7.227 ( -7.765 -7.692 3.516) 11.482 7.437 ( -8.876 -9.419 -2.575) 13.196 15.751 ( -17.866 -12.921 0.207) 22.050 16.145 ( -21.978 -18.059 0.202) 28.446 16.618 ( -14.600 -17.112 -2.725) 22.658 19.011 ( 1.860 -2.925 -0.096) 3.468 20.960 ( 1.430 8.307 1.848) 8.629 22.221 ( 10.228 4.224 -3.743) 11.681 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 19.769 17.159 0.248) 26.178 2.457 ( 7.198 21.989 0.049) 23.137 3.637 ( 16.336 5.525 -0.144) 17.245 4.035 ( 5.943 13.443 -0.191) 14.700 4.690 ( 5.133 2.054 0.371) 5.542 4.708 ( -1.743 4.937 -0.054) 5.235 5.000 ( 9.144 10.467 2.256) 14.081 5.160 ( 11.033 8.418 -1.057) 13.918 5.962 ( 8.098 4.484 -0.646) 9.279 6.084 ( 16.344 7.599 -0.650) 18.035 7.004 ( -8.951 -7.442 0.814) 11.669 7.214 ( -6.112 -7.363 -0.292) 9.574 15.276 ( -17.542 -17.178 0.145) 24.552 15.619 ( -23.359 -8.207 -0.091) 24.759 16.203 ( -12.995 -14.899 -0.977) 19.794 19.019 ( 1.221 -0.807 -0.105) 1.467 21.011 ( -1.670 2.621 0.600) 3.164 22.297 ( 1.599 -6.237 -0.848) 6.494 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 2.954 20.301 0.063) 20.514 2.867 ( 18.013 12.827 -0.013) 22.113 3.882 ( 8.639 0.946 -0.137) 8.691 4.251 ( 3.280 12.667 -0.181) 13.086 4.719 ( -2.567 4.874 -0.133) 5.511 4.782 ( 2.722 2.848 0.372) 3.957 5.237 ( 7.528 6.035 1.942) 9.841 5.410 ( 8.487 5.090 -1.009) 9.948 6.142 ( 7.445 3.160 0.134) 8.089 6.411 ( 13.145 4.438 -0.711) 13.892 6.792 ( -6.765 -5.135 -0.154) 8.494 7.077 ( -1.952 -5.369 0.419) 5.729 14.826 ( -13.109 -16.602 0.077) 21.154 15.144 ( -23.384 -3.932 -0.040) 23.713 15.870 ( -10.197 -9.758 -0.319) 14.117 19.036 ( -0.057 2.155 -0.071) 2.157 20.975 ( -2.089 -2.447 0.357) 3.238 22.195 ( -2.166 -10.521 -0.273) 10.745 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -0.835 16.875 -0.042) 16.896 3.263 ( 13.885 8.893 -0.062) 16.489 3.981 ( 2.828 -0.477 -0.060) 2.868 4.402 ( -0.192 11.561 -0.114) 11.564 4.718 ( -2.611 4.243 -0.273) 4.990 4.846 ( 1.127 2.821 0.461) 3.073 5.396 ( 5.060 2.921 1.377) 6.003 5.543 ( 3.708 1.109 -0.717) 3.937 6.259 ( 3.255 0.654 -0.011) 3.320 6.542 ( -0.637 -2.734 0.333) 2.827 6.761 ( 6.782 1.874 -1.166) 7.132 7.039 ( 2.364 -3.863 0.713) 4.585 14.501 ( -6.899 -11.877 0.054) 13.735 14.736 ( -18.526 -2.302 0.033) 18.668 15.648 ( -7.126 -3.829 -0.126) 8.091 19.058 ( -1.754 5.055 -0.014) 5.351 20.908 ( -0.275 -5.986 0.438) 6.008 22.045 ( -1.550 -10.904 -0.300) 11.017 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -5.048 13.818 -0.104) 14.712 3.511 ( 6.685 2.402 -0.094) 7.104 3.991 ( -0.828 0.349 0.010) 0.899 4.477 ( -3.887 10.377 0.027) 11.082 4.716 ( -1.881 3.503 -0.474) 4.005 4.879 ( -0.501 2.144 0.543) 2.268 5.478 ( 1.852 0.438 0.700) 2.028 5.583 ( 1.397 -0.738 -0.124) 1.585 6.284 ( 0.354 -0.386 -0.379) 0.647 6.491 ( -0.672 -2.119 0.383) 2.256 6.897 ( 5.598 -0.037 -1.246) 5.735 7.050 ( 2.477 -4.379 1.090) 5.148 14.352 ( -0.029 -5.712 0.061) 5.713 14.475 ( -9.116 0.581 0.050) 9.134 15.539 ( -3.507 0.761 -0.084) 3.590 19.074 ( -3.349 6.707 0.034) 7.496 20.860 ( 2.651 -7.206 0.552) 7.698 21.943 ( 2.050 -9.030 -0.402) 9.269 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -9.661 11.189 -0.137) 14.784 3.511 ( -5.445 -4.566 -0.093) 7.107 3.990 ( 0.045 0.850 -0.004) 0.851 4.478 ( -7.003 8.584 0.026) 11.079 4.722 ( -1.547 3.642 -0.443) 3.982 4.874 ( -2.115 1.198 0.522) 2.486 5.473 ( -1.743 -1.592 0.593) 2.433 5.588 ( 0.234 -1.460 -0.017) 1.479 6.282 ( 0.085 -0.516 -0.438) 0.682 6.490 ( 2.078 -0.603 0.423) 2.205 6.922 ( -0.644 -3.425 -1.378) 3.748 7.028 ( 0.651 -5.602 1.240) 5.774 14.353 ( 4.988 -2.783 0.075) 5.712 14.474 ( 4.024 8.159 0.039) 9.098 15.539 ( 1.098 3.396 -0.088) 3.570 19.074 ( -4.056 6.267 0.044) 7.466 20.862 ( 4.962 -5.835 0.579) 7.681 21.941 ( 6.748 -6.334 -0.425) 9.265 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -14.419 9.134 -0.136) 17.069 3.260 ( -14.847 -7.604 -0.086) 16.681 3.980 ( -0.940 -2.667 -0.085) 2.829 4.405 ( -9.747 6.147 -0.082) 11.524 4.731 ( -2.054 4.347 -0.214) 4.812 4.833 ( -3.364 0.194 0.401) 3.394 5.391 ( -5.159 -2.942 1.229) 6.064 5.546 ( -2.987 -2.802 -0.600) 4.139 6.257 ( -2.099 -2.373 -0.072) 3.169 6.532 ( 1.753 -1.509 0.229) 2.324 6.837 ( -2.077 -3.100 -0.615) 3.782 6.977 ( 0.239 -5.163 0.359) 5.181 14.502 ( 13.640 0.129 0.070) 13.641 14.736 ( 11.330 14.866 0.029) 18.692 15.648 ( 7.007 4.252 -0.126) 8.197 19.060 ( -3.440 4.008 0.012) 5.282 20.912 ( 5.158 -2.749 0.490) 5.865 22.042 ( 10.403 -4.066 -0.334) 11.174 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.000 27.284 1.277) 27.314 1.137 ( -0.000 26.156 0.570) 26.162 1.977 ( -0.000 44.992 0.324) 44.993 3.387 ( 0.000 9.026 -0.244) 9.029 3.861 ( -0.000 25.732 0.192) 25.732 4.519 ( -0.000 2.072 0.305) 2.094 4.609 ( 0.000 1.821 -0.224) 1.835 4.704 ( 0.000 2.870 -1.069) 3.062 5.063 ( -0.000 19.349 3.170) 19.606 5.379 ( 0.000 15.230 -9.427) 17.912 7.524 ( -0.000 -9.600 8.513) 12.831 7.899 ( 0.000 -13.725 -5.252) 14.696 16.323 ( 0.000 -14.670 0.064) 14.671 17.212 ( 0.000 -26.325 -1.936) 26.396 17.356 ( 0.000 -31.130 -5.554) 31.622 19.068 ( 0.000 -0.631 -0.044) 0.632 20.263 ( -0.000 30.531 4.550) 30.869 21.502 ( 0.000 46.183 -23.085) 51.631 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 7.731 27.945 1.024) 29.012 1.608 ( 18.186 23.833 0.524) 29.983 2.475 ( 7.646 37.651 0.089) 38.420 3.557 ( 6.836 10.788 -0.410) 12.779 4.141 ( 3.156 22.537 0.835) 22.772 4.595 ( 4.674 4.250 0.565) 6.343 4.650 ( 2.168 2.866 -0.305) 3.607 4.754 ( 1.586 5.118 -1.055) 5.461 5.304 ( 4.714 17.156 3.080) 18.057 5.548 ( 3.862 12.958 -6.375) 14.948 7.419 ( -2.890 -9.169 6.689) 11.712 7.701 ( -4.728 -13.729 -4.780) 15.287 16.143 ( -2.826 -16.069 0.108) 16.316 16.767 ( -11.903 -33.170 1.357) 35.267 17.032 ( -7.290 -20.214 -6.100) 22.338 19.011 ( -3.663 -0.435 -0.041) 3.688 20.694 ( 14.326 15.271 5.260) 21.589 21.889 ( 3.282 30.322 -13.309) 33.276 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 14.838 25.204 0.625) 29.254 2.158 ( 14.759 25.007 0.439) 29.041 2.984 ( 13.875 23.697 -0.110) 27.460 3.809 ( 7.441 13.348 -0.404) 15.287 4.412 ( 6.623 12.026 1.159) 13.778 4.724 ( 2.181 4.292 -0.351) 4.827 4.769 ( 5.522 10.375 1.226) 11.817 4.874 ( 4.841 8.318 -1.075) 9.684 5.582 ( 9.089 12.661 2.211) 15.742 5.731 ( 4.628 10.097 -4.090) 11.836 7.265 ( -5.349 -9.089 4.311) 11.393 7.456 ( -6.478 -12.274 -3.257) 14.256 15.857 ( -11.278 -19.195 0.187) 22.264 16.252 ( -12.163 -21.596 0.330) 24.788 16.644 ( -11.711 -20.609 -2.981) 23.890 18.966 ( -0.476 -0.966 -0.027) 1.077 20.999 ( 6.025 7.516 2.660) 9.993 22.141 ( 3.680 9.941 -5.034) 11.735 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 16.757 21.415 0.273) 27.193 2.619 ( 7.349 27.271 0.232) 28.244 3.416 ( 15.187 10.020 -0.145) 18.195 4.079 ( 6.534 15.058 -0.285) 16.417 4.613 ( 6.369 5.134 0.778) 8.218 4.793 ( -0.153 6.065 -0.234) 6.072 4.993 ( 5.868 11.632 1.957) 13.175 5.083 ( 7.987 10.103 -1.107) 12.926 5.879 ( 9.682 7.269 1.645) 12.219 5.907 ( 8.551 8.298 -2.880) 12.258 7.067 ( -7.292 -8.830 1.626) 11.567 7.227 ( -5.667 -10.181 -1.080) 11.702 15.372 ( -16.455 -23.411 0.074) 28.615 15.902 ( -14.792 -6.144 -0.003) 16.018 16.218 ( -10.501 -21.231 -1.173) 23.715 18.975 ( 2.123 -0.161 -0.034) 2.129 21.087 ( -1.823 2.899 0.810) 3.520 22.194 ( 0.968 -5.605 -1.292) 5.833 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 15.830 16.328 0.021) 22.741 2.975 ( 1.342 27.919 0.080) 27.951 3.716 ( 11.827 2.791 -0.128) 12.153 4.331 ( 4.462 15.038 -0.211) 15.687 4.755 ( 4.466 4.155 0.426) 6.115 4.839 ( -2.578 7.600 -0.074) 8.026 5.198 ( 5.272 8.026 1.988) 9.806 5.320 ( 8.001 7.298 -1.165) 10.892 6.050 ( 6.279 4.381 -0.146) 7.658 6.205 ( 14.193 4.569 -0.412) 14.916 6.856 ( -7.151 -6.966 0.458) 9.993 7.051 ( -3.262 -8.538 -0.214) 9.143 14.872 ( -13.707 -20.878 0.017) 24.976 15.514 ( -22.586 -5.468 -0.141) 23.239 15.904 ( -5.699 -11.728 -0.264) 13.042 19.034 ( 3.029 2.678 -0.029) 4.043 21.021 ( -5.499 -2.310 0.255) 5.970 22.084 ( -0.882 -14.079 -0.277) 14.109 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 11.064 11.162 -0.172) 15.717 3.243 ( -1.046 24.731 0.031) 24.753 3.903 ( 6.965 2.027 -0.066) 7.254 4.533 ( 1.452 14.458 -0.194) 14.532 4.854 ( -2.995 7.097 -0.291) 7.708 4.859 ( 0.254 5.811 0.579) 5.845 5.348 ( 4.385 3.995 1.562) 6.134 5.481 ( 4.731 2.332 -0.998) 5.368 6.188 ( 5.444 1.380 0.171) 5.619 6.450 ( 9.202 -0.525 -0.270) 9.221 6.711 ( -1.875 -2.667 0.176) 3.265 6.948 ( 0.979 -7.353 -0.094) 7.418 14.490 ( -8.032 -15.655 0.029) 17.595 15.052 ( -20.975 -7.389 -0.018) 22.238 15.742 ( -6.226 -0.724 -0.090) 6.269 19.128 ( 1.768 7.090 -0.012) 7.307 20.873 ( -4.741 -7.898 0.298) 9.216 21.909 ( -0.056 -17.133 -0.214) 17.135 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( -0.645 14.189 -0.228) 14.206 3.440 ( 2.794 9.830 -0.050) 10.219 4.012 ( 1.327 5.308 0.024) 5.471 4.676 ( -1.883 14.421 -0.157) 14.544 4.839 ( -6.341 7.887 -0.139) 10.121 4.920 ( -0.280 4.344 0.373) 4.369 5.441 ( 3.029 0.883 0.943) 3.293 5.541 ( 2.116 -1.059 -0.468) 2.412 6.258 ( 2.201 -0.643 -0.103) 2.296 6.475 ( -0.429 -3.637 0.288) 3.674 6.771 ( 7.180 -0.954 -0.506) 7.261 6.927 ( 4.296 -7.304 0.321) 8.480 14.281 ( -1.177 -9.532 0.049) 9.604 14.669 ( -13.951 -5.283 0.058) 14.918 15.658 ( -6.397 5.797 -0.081) 8.634 19.225 ( -1.997 11.286 -0.010) 11.462 20.724 ( 0.191 -12.106 0.480) 12.117 21.760 ( 3.325 -16.669 -0.341) 17.001 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( -8.728 14.983 -0.215) 17.341 3.517 ( 0.685 -1.089 -0.115) 1.292 4.052 ( -3.828 6.483 0.072) 7.529 4.747 ( -8.752 15.269 0.038) 17.599 4.809 ( -3.043 5.704 -0.382) 6.476 4.938 ( -2.364 3.492 0.418) 4.238 5.472 ( 0.387 -1.236 0.500) 1.388 5.552 ( 1.536 -2.202 -0.044) 2.685 6.270 ( 0.544 -1.015 -0.243) 1.177 6.447 ( 1.178 -2.300 0.305) 2.602 6.851 ( 4.132 -3.839 -1.078) 5.742 6.919 ( 3.334 -8.770 0.993) 9.435 14.234 ( 3.474 -5.873 0.057) 6.824 14.505 ( -0.921 1.490 0.077) 1.753 15.631 ( -5.074 8.725 -0.086) 10.094 19.268 ( -6.781 11.756 -0.016) 13.572 20.662 ( 6.883 -11.718 0.570) 13.602 21.701 ( 8.171 -14.291 -0.403) 16.466 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -12.165 7.984 -0.230) 14.553 3.440 ( -9.968 2.248 -0.050) 10.219 4.010 ( -5.273 1.465 0.023) 5.472 4.680 ( -11.478 9.301 -0.167) 14.774 4.843 ( -3.205 8.993 -0.220) 9.549 4.911 ( -4.082 2.288 0.464) 4.703 5.435 ( -2.530 -2.238 0.854) 3.484 5.545 ( -0.098 -2.415 -0.378) 2.447 6.256 ( -0.577 -2.148 -0.146) 2.229 6.470 ( 2.997 -1.927 0.339) 3.580 6.825 ( -1.008 -4.968 -1.095) 5.186 6.880 ( 2.913 -8.706 0.903) 9.225 14.284 ( 8.870 -3.719 0.049) 9.618 14.669 ( 11.560 9.477 0.058) 14.948 15.656 ( -1.820 8.382 -0.081) 8.577 19.225 ( -8.701 7.287 -0.009) 11.350 20.730 ( 10.380 -6.055 0.483) 12.027 21.756 ( 12.775 -11.287 -0.344) 17.051 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.000 29.203 0.668) 29.211 1.644 ( -0.000 23.362 0.560) 23.368 2.822 ( -0.000 37.151 0.274) 37.152 3.596 ( 0.000 11.413 -0.316) 11.417 4.383 ( -0.000 24.311 0.886) 24.327 4.573 ( -0.000 2.979 0.287) 2.993 4.645 ( 0.000 1.727 -0.173) 1.736 4.800 ( 0.000 7.331 -1.092) 7.412 5.455 ( -0.000 17.238 2.083) 17.364 5.657 ( 0.000 15.603 -4.355) 16.200 7.362 ( -0.000 -9.501 5.781) 11.122 7.586 ( 0.000 -14.653 -4.133) 15.225 15.972 ( 0.000 -19.535 0.078) 19.535 16.523 ( -0.000 -34.216 0.903) 34.228 16.881 ( 0.000 -20.354 -4.203) 20.783 19.053 ( 0.000 -0.765 -0.051) 0.766 20.720 ( -0.000 14.406 3.970) 14.943 22.128 ( 0.000 22.155 -8.840) 23.854 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 5.462 28.252 0.609) 28.782 2.063 ( 17.832 20.659 0.448) 27.295 3.165 ( 0.060 29.032 0.114) 29.033 3.792 ( 7.801 12.221 -0.381) 14.504 4.523 ( -2.959 12.307 0.842) 12.685 4.688 ( 4.249 2.451 -0.367) 4.919 4.758 ( 7.729 11.590 1.087) 13.973 4.903 ( 2.100 10.069 -1.162) 10.351 5.639 ( 1.963 14.643 1.385) 14.839 5.813 ( 0.301 15.040 -2.919) 15.323 7.251 ( -2.796 -9.627 3.816) 10.727 7.402 ( -3.180 -13.579 -2.609) 14.188 15.756 ( -2.319 -21.959 0.086) 22.082 16.139 ( -4.563 -28.176 0.329) 28.545 16.602 ( -7.116 -20.490 -2.289) 21.811 19.008 ( -3.354 0.176 -0.032) 3.359 20.930 ( 7.959 6.739 2.451) 10.713 22.253 ( -3.226 10.087 -4.395) 11.465 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 10.407 25.132 0.350) 27.204 2.616 ( 20.286 19.844 0.375) 28.381 3.414 ( 1.269 18.125 -0.054) 18.170 4.081 ( 9.528 13.270 -0.386) 16.341 4.612 ( 1.442 7.773 0.794) 7.946 4.798 ( 4.913 3.093 -0.399) 5.819 5.013 ( 6.096 12.034 1.781) 13.607 5.073 ( 4.988 11.168 -1.303) 12.300 5.831 ( 4.767 11.029 1.100) 12.065 5.951 ( -0.048 12.737 -2.145) 12.916 7.086 ( -5.116 -9.669 1.106) 10.995 7.204 ( -4.354 -11.234 -0.385) 12.055 15.373 ( -12.187 -25.957 0.017) 28.676 15.900 ( 2.281 -15.906 0.081) 16.069 16.215 ( -12.977 -19.585 -1.037) 23.517 18.974 ( -1.138 1.760 -0.010) 2.095 21.082 ( 4.135 0.014 1.002) 4.255 22.200 ( -6.301 -1.980 -1.557) 6.785 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 11.507 19.774 0.094) 22.878 3.149 ( 13.998 23.950 0.228) 27.741 3.589 ( 4.355 7.470 -0.103) 8.647 4.374 ( 7.816 13.736 -0.307) 15.807 4.730 ( 3.636 5.979 0.589) 7.022 4.911 ( 2.864 5.362 -0.235) 6.083 5.212 ( 3.919 8.799 1.893) 9.817 5.277 ( 6.107 8.942 -1.334) 10.911 6.024 ( 5.275 6.256 0.637) 8.208 6.077 ( 3.725 9.389 -1.129) 10.164 6.897 ( -5.807 -7.895 0.083) 9.801 7.022 ( -4.170 -9.634 0.206) 10.500 14.886 ( -13.282 -22.927 -0.035) 26.497 15.746 ( -13.057 -22.709 -0.429) 26.199 15.844 ( -1.319 -2.323 0.086) 2.673 19.013 ( 2.309 3.986 0.005) 4.606 21.073 ( -2.576 -4.466 0.205) 5.160 22.005 ( -6.906 -11.809 -0.331) 13.684 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 10.380 13.599 -0.064) 17.108 3.536 ( -1.137 24.623 -0.000) 24.649 3.769 ( 12.139 4.185 -0.020) 12.840 4.623 ( 4.723 13.392 -0.207) 14.202 4.855 ( 3.644 5.347 0.286) 6.477 5.002 ( -0.293 8.204 0.001) 8.209 5.340 ( 2.349 4.983 1.529) 5.718 5.438 ( 3.860 4.871 -1.170) 6.324 6.132 ( 2.779 3.435 0.098) 4.419 6.270 ( 9.533 2.022 -0.133) 9.746 6.739 ( -4.623 -4.454 0.626) 6.450 6.870 ( -1.900 -8.872 -0.546) 9.090 14.475 ( -9.500 -17.371 -0.014) 19.799 15.261 ( -16.717 -18.322 -0.104) 24.802 15.837 ( -1.564 3.946 0.021) 4.245 19.136 ( 4.920 7.417 0.020) 8.900 20.914 ( -7.662 -8.100 0.059) 11.150 21.746 ( -4.121 -18.359 -0.075) 18.816 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 8.019 8.324 -0.131) 11.559 3.633 ( -4.395 9.032 -0.114) 10.045 4.067 ( 5.779 17.663 0.017) 18.584 4.807 ( 1.510 11.847 -0.133) 11.943 4.957 ( 1.363 5.226 0.023) 5.401 5.067 ( -4.045 11.955 0.170) 12.622 5.410 ( 1.707 1.545 1.035) 2.524 5.502 ( 0.940 0.428 -0.758) 1.282 6.201 ( 2.959 -0.151 0.099) 2.965 6.402 ( 5.236 -3.516 -0.090) 6.308 6.668 ( 1.130 -2.919 1.171) 3.342 6.785 ( 2.132 -7.745 -1.047) 8.101 14.215 ( -3.449 -10.944 0.020) 11.475 14.816 ( -13.835 -14.777 0.027) 20.243 15.857 ( -4.890 10.664 -0.030) 11.732 19.325 ( 4.677 12.196 0.000) 13.062 20.665 ( -7.978 -12.150 0.266) 14.538 21.514 ( 1.248 -21.096 -0.207) 21.134 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 4.749 4.089 -0.132) 6.268 3.608 ( -5.102 3.820 -0.156) 6.375 4.271 ( -4.853 19.328 0.020) 19.929 4.915 ( -1.265 8.649 -0.155) 8.742 5.001 ( -2.364 5.318 0.075) 5.820 5.102 ( -8.134 15.720 0.102) 17.700 5.441 ( 1.458 -1.068 0.593) 1.902 5.499 ( 1.028 -2.799 -0.289) 2.996 6.234 ( 1.960 -1.788 0.024) 2.653 6.403 ( 0.836 -3.542 0.042) 3.639 6.697 ( 6.235 -7.597 1.025) 9.882 6.769 ( 3.715 -6.411 -0.975) 7.474 14.125 ( 1.903 -5.666 0.030) 5.977 14.516 ( -4.801 -9.209 0.079) 10.385 15.874 ( -7.641 14.213 -0.056) 16.137 19.507 ( -2.329 16.081 -0.086) 16.249 20.442 ( 0.412 -14.928 0.504) 14.942 21.379 ( 7.618 -20.284 -0.331) 21.670 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( -5.882 -1.973 -0.152) 6.206 3.606 ( -0.756 6.323 -0.139) 6.370 4.270 ( -14.418 13.864 0.031) 20.002 4.921 ( -6.416 5.658 -0.256) 8.559 4.995 ( -3.909 4.386 0.172) 5.878 5.100 ( -9.575 14.862 0.127) 17.680 5.438 ( -0.167 -2.001 0.573) 2.088 5.502 ( 2.171 -2.098 -0.273) 3.031 6.234 ( 0.509 -2.534 0.002) 2.585 6.398 ( 2.338 -2.852 0.133) 3.690 6.707 ( 5.377 -10.841 1.232) 12.164 6.763 ( 2.104 -4.582 -1.240) 5.192 14.126 ( 4.042 -4.437 0.014) 6.002 14.515 ( 10.340 -0.482 0.087) 10.352 15.873 ( -8.559 13.688 -0.045) 16.143 19.505 ( -12.771 9.868 -0.064) 16.140 20.447 ( 12.931 -7.473 0.441) 14.941 21.376 ( 13.616 -16.885 -0.299) 21.693 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -0.000 27.854 0.442) 27.857 2.086 ( -0.000 19.733 0.533) 19.741 3.455 ( -0.000 24.485 0.176) 24.486 3.834 ( 0.000 11.770 -0.341) 11.775 4.636 ( -0.000 2.790 0.060) 2.790 4.679 ( -0.000 1.910 0.061) 1.911 4.831 ( -0.000 19.085 1.199) 19.123 4.997 ( 0.000 12.187 -1.188) 12.245 5.777 ( -0.000 14.195 0.849) 14.220 5.974 ( 0.000 16.452 -2.079) 16.583 7.181 ( -0.000 -10.453 1.317) 10.535 7.292 ( 0.000 -12.225 -0.130) 12.225 15.548 ( 0.000 -21.651 0.078) 21.652 15.873 ( 0.000 -30.057 0.177) 30.058 16.453 ( 0.000 -20.246 -1.363) 20.292 19.038 ( 0.000 -0.745 -0.055) 0.747 20.929 ( -0.000 5.715 1.632) 5.943 22.358 ( 0.000 4.252 -2.700) 5.037 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 5.103 25.781 0.410) 26.285 2.449 ( 15.649 17.170 0.385) 23.235 3.632 ( -3.281 16.968 0.072) 17.283 4.038 ( 8.626 11.765 -0.332) 14.592 4.679 ( 0.444 4.792 0.528) 4.841 4.721 ( 4.033 1.463 -0.348) 4.305 5.051 ( 3.980 13.842 0.993) 14.437 5.137 ( 1.547 12.751 -0.895) 12.876 5.918 ( 0.264 12.488 0.734) 12.512 6.117 ( -1.836 15.376 -1.652) 15.573 7.046 ( -2.288 -11.218 -1.440) 11.539 7.163 ( -2.724 -9.043 2.307) 9.722 15.279 ( -6.190 -23.865 0.015) 24.654 15.615 ( 4.628 -24.162 0.050) 24.601 16.195 ( -6.234 -18.389 -0.633) 19.428 19.017 ( -1.256 0.713 -0.041) 1.445 21.007 ( 3.309 0.587 0.769) 3.448 22.306 ( -6.550 -2.386 -1.200) 7.074 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 6.336 21.812 0.170) 22.714 2.971 ( 23.687 15.120 0.317) 28.103 3.714 ( -3.402 11.643 0.008) 12.130 4.333 ( 10.717 11.336 -0.311) 15.603 4.752 ( 1.616 5.828 0.611) 6.079 4.844 ( 7.625 1.639 -0.376) 7.808 5.235 ( 3.571 8.669 0.469) 9.387 5.293 ( 2.552 10.326 -0.257) 10.640 6.040 ( 0.926 9.095 0.399) 9.151 6.214 ( -3.326 13.243 -0.870) 13.682 6.887 ( -3.038 -9.253 -1.859) 9.915 7.017 ( -4.989 -7.273 2.228) 9.097 14.873 ( -11.284 -22.297 -0.062) 24.990 15.513 ( 6.570 -22.214 -0.061) 23.166 15.902 ( -7.181 -10.772 -0.126) 12.947 19.034 ( 0.827 3.982 -0.012) 4.067 21.023 ( 0.778 -5.602 0.140) 5.658 22.084 ( -11.903 -8.085 -0.302) 14.392 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 6.671 15.745 0.026) 17.099 3.535 ( 21.978 11.278 0.136) 24.703 3.768 ( -2.363 12.595 0.012) 12.815 4.624 ( 9.175 10.811 -0.259) 14.182 4.853 ( 2.982 5.700 0.451) 6.449 5.005 ( 7.060 3.952 -0.212) 8.093 5.354 ( 2.091 4.681 0.542) 5.155 5.425 ( 3.169 5.647 -0.353) 6.485 6.133 ( 1.597 4.365 0.054) 4.649 6.269 ( -3.006 8.953 -0.075) 9.444 6.759 ( -2.442 -5.219 -1.307) 5.909 6.852 ( -5.872 -6.927 1.301) 9.174 14.475 ( -10.342 -16.887 -0.058) 19.802 15.261 ( -7.505 -23.606 -0.090) 24.771 15.837 ( 4.260 0.587 0.073) 4.301 19.136 ( 3.968 7.963 0.022) 8.897 20.917 ( -3.343 -10.496 -0.155) 11.017 21.745 ( -13.758 -12.895 0.067) 18.856 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( 5.941 10.239 -0.048) 11.838 3.712 ( -0.193 -0.407 -0.018) 0.451 4.121 ( 13.273 22.955 0.028) 26.516 4.859 ( 5.482 9.603 -0.152) 11.058 4.967 ( 3.224 5.353 0.191) 6.252 5.162 ( 4.137 7.330 -0.038) 8.417 5.409 ( 0.658 1.582 0.524) 1.791 5.511 ( 1.628 2.435 -0.407) 2.957 6.180 ( 0.581 1.144 0.001) 1.283 6.297 ( 0.748 1.081 0.099) 1.318 6.676 ( -5.146 -4.160 1.910) 6.887 6.701 ( -0.423 -5.318 -1.928) 5.672 14.189 ( -6.003 -10.362 -0.024) 11.976 14.860 ( -11.385 -19.703 -0.005) 22.756 15.968 ( 4.366 7.522 0.029) 8.697 19.335 ( 7.000 12.098 0.042) 13.977 20.701 ( -7.451 -12.614 -0.115) 14.651 21.370 ( -10.098 -17.708 0.062) 20.385 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 4.555 5.968 -0.073) 7.508 3.677 ( -2.289 -1.384 -0.043) 2.675 4.517 ( 4.063 22.373 -0.032) 22.739 5.006 ( 1.135 7.918 0.008) 7.999 5.063 ( 1.155 5.030 -0.060) 5.161 5.299 ( 2.347 8.611 0.040) 8.925 5.421 ( 0.329 -0.700 0.353) 0.850 5.517 ( -3.991 2.598 -0.229) 4.767 6.185 ( 0.555 -1.350 0.099) 1.463 6.320 ( 3.420 -4.412 -0.149) 5.584 6.552 ( -0.535 -7.972 1.085) 8.063 6.675 ( 1.129 -2.926 -0.910) 3.265 14.061 ( -0.407 -3.957 0.002) 3.978 14.502 ( -8.083 -15.123 0.039) 17.148 16.106 ( -0.975 12.232 -0.012) 12.271 19.617 ( 7.968 16.226 -0.024) 18.077 20.410 ( -10.669 -12.193 0.207) 16.203 21.071 ( 0.054 -21.797 -0.157) 21.798 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( -0.736 1.640 -0.120) 1.802 3.631 ( -0.015 -0.209 -0.028) 0.212 4.674 ( -10.026 17.424 -0.055) 20.102 5.060 ( -3.053 5.840 -0.075) 6.590 5.097 ( -2.617 3.937 0.036) 4.727 5.400 ( 0.118 1.403 0.349) 1.451 5.429 ( -2.953 -2.673 -0.246) 3.991 5.444 ( -2.654 10.634 0.077) 10.961 6.184 ( 1.686 -2.804 0.148) 3.276 6.321 ( 2.605 -5.112 -0.241) 5.743 6.508 ( 4.408 -8.734 1.118) 9.847 6.673 ( 2.553 -3.105 -0.858) 4.111 14.057 ( 0.695 -1.052 -0.018) 1.261 14.331 ( 4.592 -8.105 0.080) 9.316 16.162 ( -7.028 12.108 -0.017) 13.999 19.843 ( -9.063 14.771 -0.205) 17.331 20.183 ( 5.388 -8.010 0.461) 9.665 20.955 ( 11.513 -20.301 -0.224) 23.339 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.000 15.488 0.450) 15.495 2.602 ( -0.000 24.801 0.308) 24.803 3.821 ( -0.000 12.077 0.092) 12.077 4.059 ( 0.000 10.200 -0.259) 10.203 4.668 ( 0.000 0.677 -0.391) 0.782 4.737 ( -0.000 3.418 0.443) 3.446 5.159 ( -0.000 12.639 0.098) 12.639 5.257 ( -0.000 12.875 -0.141) 12.875 6.046 ( -0.000 11.638 0.411) 11.645 6.288 ( 0.000 14.755 -1.107) 14.796 6.943 ( 0.000 -11.359 -2.452) 11.620 7.120 ( -0.000 -5.826 3.135) 6.616 15.114 ( 0.000 -20.536 0.065) 20.536 15.302 ( 0.000 -26.028 -0.034) 26.028 16.063 ( 0.000 -17.387 -0.297) 17.389 19.024 ( 0.000 -0.592 -0.061) 0.596 20.992 ( -0.000 0.665 0.355) 0.754 22.330 ( 0.000 -5.137 -0.612) 5.173 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 16.100 12.691 0.357) 20.504 2.863 ( 2.227 22.112 0.210) 22.225 3.879 ( -3.460 8.012 0.064) 8.728 4.251 ( 9.316 9.067 -0.191) 13.002 4.721 ( 5.379 0.239 -0.290) 5.392 4.783 ( 1.215 3.816 0.339) 4.019 5.283 ( 1.208 8.934 -0.543) 9.032 5.380 ( 0.166 10.116 0.492) 10.129 6.143 ( -0.991 8.817 0.066) 8.873 6.404 ( -2.588 12.591 -0.270) 12.857 6.822 ( -1.054 -8.765 -2.360) 9.138 7.048 ( -3.663 -3.414 2.495) 5.594 14.828 ( -7.843 -19.676 -0.039) 21.182 15.143 ( 8.275 -22.124 -0.003) 23.621 15.866 ( -3.278 -13.592 -0.063) 13.982 19.036 ( 1.901 1.086 -0.050) 2.190 20.981 ( -1.099 -2.703 -0.023) 2.918 22.192 ( -8.066 -7.476 -0.126) 10.998 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 4.342 15.062 0.143) 15.676 3.241 ( 21.821 11.553 0.177) 24.691 3.901 ( -1.679 7.084 0.059) 7.280 4.533 ( 11.799 8.406 -0.147) 14.488 4.848 ( 5.997 1.992 0.349) 6.328 4.868 ( 6.513 2.128 -0.254) 6.857 5.374 ( 0.959 5.302 -0.636) 5.425 5.462 ( -0.255 5.745 0.565) 5.779 6.191 ( -1.541 5.339 -0.060) 5.557 6.443 ( -4.888 7.703 0.297) 9.128 6.733 ( -1.195 -3.472 -2.019) 4.191 6.930 ( -7.089 -2.198 1.705) 7.615 14.492 ( -9.568 -14.771 -0.082) 17.599 15.052 ( 4.089 -21.809 -0.020) 22.189 15.740 ( 2.538 -5.752 0.067) 6.288 19.128 ( 5.245 5.081 -0.012) 7.302 20.879 ( -4.542 -7.858 -0.270) 9.080 21.905 ( -14.790 -8.787 0.154) 17.204 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 3.251 11.092 0.048) 11.559 3.631 ( 10.062 0.688 0.098) 10.086 4.067 ( 12.406 13.848 0.046) 18.593 4.807 ( 9.559 7.207 -0.134) 11.972 4.955 ( 3.872 3.807 0.296) 5.438 5.069 ( 12.278 2.456 -0.160) 12.522 5.420 ( 0.165 2.103 -0.405) 2.148 5.494 ( 0.096 1.239 0.321) 1.284 6.202 ( -1.590 2.429 -0.059) 2.904 6.399 ( -5.648 2.855 0.271) 6.335 6.687 ( -2.377 -0.587 -1.803) 3.041 6.768 ( -8.507 -1.938 1.537) 8.859 14.216 ( -7.781 -8.451 -0.063) 11.488 14.816 ( -5.885 -19.345 -0.021) 20.220 15.856 ( 11.715 1.085 0.070) 11.766 19.325 ( 8.219 10.116 0.044) 13.034 20.669 ( -6.640 -12.849 -0.373) 14.468 21.511 ( -18.827 -9.555 0.252) 21.114 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 2.909 6.918 0.014) 7.505 3.676 ( -0.023 -2.684 0.049) 2.685 4.516 ( 17.349 14.696 0.021) 22.737 5.006 ( 6.285 4.940 -0.100) 7.994 5.062 ( 3.810 3.517 0.157) 5.187 5.299 ( 6.268 6.333 -0.068) 8.911 5.422 ( -0.956 -0.064 -0.062) 0.960 5.516 ( 4.373 -2.134 0.028) 4.866 6.186 ( -1.460 -0.166 -0.101) 1.473 6.319 ( -5.475 0.688 0.228) 5.522 6.558 ( -7.098 -4.391 -0.590) 8.367 6.670 ( -2.704 -0.482 0.418) 2.779 14.061 ( -3.236 -2.331 -0.024) 3.988 14.502 ( -9.065 -14.550 -0.013) 17.142 16.106 ( 11.095 5.268 0.026) 12.282 19.617 ( 10.090 14.970 0.090) 18.053 20.412 ( -5.341 -15.235 -0.322) 16.148 21.070 ( -18.829 -10.903 0.203) 21.758 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 2.367 4.100 -0.000) 4.734 3.628 ( -1.703 -2.950 -0.000) 3.406 4.873 ( 6.048 10.476 -0.000) 12.096 5.126 ( 2.080 3.603 -0.000) 4.160 5.144 ( 1.320 2.287 -0.000) 2.641 5.371 ( 0.216 0.374 -0.000) 0.432 5.396 ( -0.655 -1.135 -0.000) 1.311 5.613 ( 2.353 4.076 -0.000) 4.706 6.158 ( -0.397 -0.688 -0.000) 0.794 6.226 ( -2.353 -4.075 -0.000) 4.706 6.430 ( -1.993 -3.451 -0.000) 3.985 6.631 ( -0.558 -0.966 0.000) 1.115 14.057 ( 1.844 3.194 -0.000) 3.688 14.235 ( -5.871 -10.168 -0.000) 11.741 16.296 ( 3.095 5.360 -0.000) 6.189 19.960 ( 9.372 16.234 -0.000) 18.745 20.196 ( -5.321 -9.216 -0.000) 10.642 20.677 ( -8.184 -14.176 -0.000) 16.369 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -0.000 10.702 0.317) 10.707 3.064 ( -0.000 20.301 0.186) 20.302 3.978 ( -0.000 3.937 0.083) 3.938 4.237 ( -0.000 7.259 -0.091) 7.260 4.672 ( 0.000 0.035 -0.304) 0.306 4.806 ( -0.000 3.043 0.223) 3.051 5.358 ( 0.000 7.523 -0.822) 7.568 5.474 ( -0.000 7.625 0.622) 7.651 6.227 ( -0.000 5.615 -0.044) 5.615 6.537 ( -0.000 7.632 0.430) 7.644 6.757 ( 0.000 -3.400 -2.146) 4.021 7.070 ( -0.000 -0.300 1.726) 1.752 14.736 ( 0.000 -16.119 0.042) 16.119 14.827 ( 0.000 -20.219 -0.090) 20.219 15.758 ( 0.000 -12.303 0.022) 12.303 19.013 ( 0.000 -0.372 -0.069) 0.378 20.980 ( 0.000 -1.446 -0.217) 1.462 22.190 ( 0.000 -7.565 0.090) 7.565 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 14.967 7.742 0.247) 16.853 3.261 ( 0.824 16.501 0.102) 16.522 3.980 ( -1.803 2.271 0.072) 2.900 4.401 ( 10.058 5.634 -0.023) 11.529 4.717 ( 5.057 -0.390 -0.136) 5.074 4.851 ( 1.816 2.605 0.044) 3.176 5.421 ( -0.108 5.137 -0.779) 5.196 5.529 ( -0.894 4.440 0.484) 4.555 6.259 ( -0.990 2.678 0.077) 2.857 6.545 ( -2.194 -0.975 0.105) 2.404 6.759 ( -1.420 5.412 -1.070) 5.697 7.037 ( -4.704 0.992 0.896) 4.891 14.502 ( -6.826 -11.914 -0.069) 13.730 14.737 ( 7.259 -17.170 -0.010) 18.642 15.646 ( 0.264 -8.044 0.072) 8.048 19.058 ( 5.231 1.040 -0.054) 5.333 20.917 ( -5.076 -3.101 -0.372) 5.960 22.039 ( -8.653 -6.929 0.251) 11.088 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 12.638 6.551 0.221) 14.237 3.439 ( 7.063 7.297 0.044) 10.155 4.012 ( 3.971 3.860 0.023) 5.538 4.674 ( 13.367 5.590 0.031) 14.489 4.837 ( 10.051 -1.649 0.030) 10.186 4.924 ( 3.881 2.018 -0.106) 4.375 5.452 ( -0.816 2.683 -0.613) 2.870 5.535 ( -2.016 1.700 0.304) 2.654 6.256 ( -1.529 1.426 0.120) 2.095 6.478 ( -3.097 -2.015 -0.108) 3.696 6.771 ( -3.868 5.154 -0.436) 6.459 6.926 ( -8.898 0.606 0.414) 8.928 14.282 ( -7.681 -5.787 -0.081) 9.617 14.670 ( 2.413 -14.702 -0.027) 14.899 15.657 ( 8.234 -2.638 0.087) 8.647 19.225 ( 10.735 3.906 0.001) 11.423 20.730 ( -10.612 -5.817 -0.463) 12.111 21.755 ( -16.069 -5.507 0.325) 16.990 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 1.182 6.158 0.092) 6.271 3.607 ( 5.889 -2.521 0.151) 6.408 4.271 ( 19.134 5.468 -0.007) 19.900 4.914 ( 8.167 3.174 0.077) 8.762 5.001 ( 5.794 0.695 -0.003) 5.836 5.102 ( 17.608 0.789 -0.073) 17.626 5.445 ( -1.654 0.641 -0.504) 1.845 5.497 ( -2.983 -0.410 0.247) 3.021 6.234 ( -2.455 0.794 -0.013) 2.580 6.403 ( -3.608 -1.004 0.008) 3.745 6.704 ( -9.200 1.539 -1.216) 9.406 6.762 ( -7.825 0.042 1.131) 7.906 14.125 ( -5.872 -1.192 -0.042) 5.992 14.516 ( -5.575 -8.749 -0.059) 10.374 15.874 ( 16.144 0.491 0.059) 16.152 19.506 ( 15.061 6.004 0.094) 16.214 20.445 ( -13.151 -7.080 -0.495) 14.944 21.376 ( -21.350 -3.552 0.317) 21.646 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -0.000 5.435 0.175) 5.438 3.413 ( -0.000 13.388 0.095) 13.388 4.002 ( -0.000 -0.990 0.064) 0.992 4.349 ( -0.000 3.642 -0.016) 3.642 4.672 ( -0.000 0.102 0.086) 0.134 4.855 ( 0.000 1.649 -0.202) 1.661 5.467 ( 0.000 3.529 -0.658) 3.590 5.575 ( -0.000 2.631 0.213) 2.640 6.281 ( -0.000 0.441 0.313) 0.541 6.535 ( 0.000 -3.005 -0.332) 3.023 6.847 ( -0.000 7.299 0.025) 7.299 7.096 ( -0.000 1.486 0.111) 1.490 14.478 ( 0.000 -8.908 0.013) 8.908 14.501 ( 0.000 -11.306 -0.092) 11.306 15.569 ( 0.000 -6.247 0.076) 6.247 19.008 ( 0.000 -0.151 -0.072) 0.167 20.947 ( 0.000 -1.307 -0.463) 1.386 22.055 ( -0.000 -5.105 0.339) 5.116 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 14.436 2.552 0.149) 14.660 3.509 ( -1.262 6.981 0.076) 7.095 3.991 ( 0.746 -0.503 0.016) 0.900 4.478 ( 10.907 1.885 -0.026) 11.068 4.711 ( 4.052 -0.048 0.295) 4.062 4.885 ( 2.037 0.743 -0.367) 2.199 5.486 ( -0.569 1.505 -0.510) 1.688 5.582 ( -1.381 1.154 0.029) 1.800 6.279 ( -0.405 0.007 0.377) 0.554 6.496 ( -1.540 -1.656 -0.354) 2.289 6.885 ( -2.717 4.456 0.565) 5.249 7.061 ( -5.132 0.424 -0.462) 5.170 14.353 ( -4.932 -2.878 -0.079) 5.711 14.476 ( 5.075 -7.604 -0.022) 9.142 15.538 ( 2.408 -2.647 0.080) 3.579 19.074 ( 7.453 0.459 -0.048) 7.467 20.868 ( -7.578 -1.282 -0.521) 7.703 21.937 ( -8.830 -2.766 0.385) 9.261 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 17.318 -0.062 0.199) 17.319 3.517 ( -1.292 0.044 0.105) 1.297 4.052 ( 7.542 -0.068 -0.067) 7.542 4.747 ( 17.591 0.051 -0.035) 17.592 4.806 ( 6.516 0.188 0.358) 6.528 4.940 ( 4.146 -0.267 -0.391) 4.173 5.475 ( -1.272 -0.278 -0.479) 1.388 5.552 ( -2.718 0.229 0.060) 2.728 6.268 ( -1.059 -0.044 0.233) 1.085 6.449 ( -2.634 -0.107 -0.301) 2.654 6.845 ( -5.160 1.325 0.879) 5.399 6.925 ( -9.475 -1.178 -0.792) 9.581 14.234 ( -6.833 0.066 -0.053) 6.833 14.506 ( 1.761 -0.049 -0.072) 1.763 15.630 ( 10.098 -0.029 0.080) 10.098 19.268 ( 13.544 0.006 0.015) 13.544 20.666 ( -13.600 0.095 -0.529) 13.611 21.698 ( -16.444 -0.064 0.375) 16.449 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( -0.000 -0.129 0.078) 0.151 3.565 ( -0.000 0.011 0.087) 0.087 3.978 ( -0.000 -0.063 0.004) 0.063 4.385 ( 0.000 -0.002 -0.060) 0.060 4.679 ( -0.000 0.326 0.521) 0.614 4.868 ( 0.000 -0.273 -0.566) 0.629 5.496 ( 0.000 -0.355 -0.512) 0.623 5.602 ( 0.000 0.292 -0.065) 0.299 6.282 ( -0.000 -0.054 0.505) 0.508 6.500 ( 0.000 -0.017 -0.406) 0.407 6.941 ( -0.000 1.071 1.158) 1.577 7.102 ( 0.000 -0.980 -1.051) 1.437 14.384 ( 0.000 0.058 -0.075) 0.095 14.385 ( 0.000 -0.064 -0.021) 0.068 15.506 ( -0.000 -0.002 0.074) 0.074 19.007 ( 0.000 0.046 -0.063) 0.078 20.931 ( 0.000 0.033 -0.558) 0.559 22.002 ( -0.000 -0.036 0.418) 0.419 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 14.491 -2.771 0.105) 14.754 3.510 ( -1.233 -6.993 0.094) 7.102 3.990 ( 0.729 0.445 -0.010) 0.855 4.478 ( 10.923 -1.808 -0.023) 11.072 4.719 ( 3.970 0.528 0.512) 4.037 4.877 ( 2.058 -1.245 -0.584) 2.475 5.477 ( -0.520 -2.165 -0.670) 2.325 5.588 ( -1.403 -0.657 0.093) 1.552 6.280 ( -0.434 -0.143 0.420) 0.621 6.493 ( -1.581 1.528 -0.442) 2.243 6.912 ( -2.634 -2.307 1.534) 3.823 7.037 ( -5.182 -2.262 -1.358) 5.815 14.354 ( -4.905 2.924 -0.061) 5.711 14.474 ( 5.062 7.566 -0.050) 9.103 15.538 ( 2.391 2.644 0.085) 3.565 19.075 ( 7.441 -0.385 -0.034) 7.451 20.866 ( -7.541 1.364 -0.556) 7.684 21.938 ( -8.851 2.692 0.407) 9.260 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 0.000 -5.662 0.070) 5.662 3.413 ( 0.000 -13.498 0.093) 13.498 4.002 ( -0.000 1.047 0.050) 1.048 4.350 ( 0.000 -3.467 0.011) 3.467 4.687 ( -0.000 0.182 0.470) 0.504 4.841 ( 0.000 -2.016 -0.588) 2.100 5.447 ( 0.000 -4.243 -0.983) 4.355 5.586 ( -0.000 -2.189 0.320) 2.212 6.282 ( -0.000 -0.696 0.369) 0.788 6.529 ( 0.000 2.678 -0.497) 2.724 6.899 ( -0.000 -5.020 1.556) 5.256 7.052 ( 0.000 -3.075 -1.237) 3.314 14.475 ( -0.000 8.790 -0.055) 8.790 14.503 ( -0.000 11.419 -0.049) 11.419 15.570 ( -0.000 6.326 0.105) 6.326 19.009 ( 0.000 0.240 -0.038) 0.243 20.944 ( 0.000 1.327 -0.553) 1.437 22.058 ( -0.000 5.089 0.396) 5.104 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.125 ( -0.000 0.000 3.537) 3.537 0.125 ( -0.000 0.000 3.537) 3.537 0.239 ( -0.000 0.000 5.893) 5.893 3.189 ( 0.000 -0.000 -0.196) 0.196 3.189 ( 0.000 -0.000 -0.196) 0.196 4.483 ( -0.000 0.000 0.522) 0.522 4.483 ( -0.000 0.000 0.522) 0.522 4.559 ( 0.000 -0.000 -0.464) 0.464 4.559 ( 0.000 -0.000 -0.464) 0.464 4.682 ( 0.000 -0.000 -0.540) 0.540 7.953 ( -0.000 0.000 1.495) 1.495 8.310 ( 0.000 -0.000 -0.541) 0.541 16.634 ( -0.000 0.000 0.006) 0.006 16.634 ( -0.000 0.000 0.006) 0.006 18.237 ( 0.000 -0.000 -0.028) 0.028 19.083 ( 0.000 0.000 -0.004) 0.004 19.083 ( 0.000 -0.000 -0.004) 0.004 19.628 ( 0.000 -0.000 -0.375) 0.375 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 15.290 8.828 2.768) 17.871 0.605 ( 23.801 13.742 0.695) 27.492 1.012 ( 42.243 24.389 0.509) 48.781 3.238 ( 4.178 2.412 -0.171) 4.827 3.384 ( 15.425 8.905 -0.178) 17.812 4.500 ( 1.115 0.644 0.413) 1.353 4.566 ( 0.843 0.487 -0.363) 1.039 4.662 ( 2.246 1.297 -0.998) 2.779 4.732 ( 10.546 6.089 1.416) 12.260 5.003 ( 23.326 13.467 -15.294) 30.974 7.756 ( -10.716 -6.187 10.652) 16.328 8.147 ( -9.399 -5.426 -4.284) 11.667 16.552 ( -6.868 -3.965 0.038) 7.931 17.416 ( 5.567 3.214 -18.947) 20.007 18.231 ( -36.497 -21.072 3.685) 42.304 19.081 ( -0.244 -0.141 -0.029) 0.284 19.429 ( 79.789 46.066 -22.709) 94.889 20.214 ( 28.794 16.624 -13.511) 35.889 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 23.519 13.579 0.931) 27.174 1.154 ( 22.597 13.047 0.331) 26.095 1.978 ( 39.363 22.726 0.317) 45.453 3.379 ( 7.723 4.459 -0.131) 8.918 3.837 ( 21.564 12.450 0.452) 24.904 4.536 ( 1.948 1.125 0.095) 2.251 4.593 ( 1.440 0.832 -0.046) 1.664 4.698 ( 2.501 1.444 -0.915) 3.030 5.082 ( 16.663 9.620 3.137) 19.495 5.387 ( 13.604 7.854 -9.613) 18.416 7.561 ( -8.468 -4.889 8.694) 13.084 7.884 ( -11.670 -6.738 -5.864) 14.696 16.319 ( -12.750 -7.361 0.116) 14.723 17.167 ( -20.560 -11.870 -1.895) 23.816 17.411 ( -28.458 -16.430 -5.575) 33.330 19.072 ( -0.516 -0.298 -0.088) 0.603 20.514 ( 17.295 9.985 8.036) 21.527 21.191 ( 50.709 29.277 -25.450) 63.845 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 25.219 14.560 0.320) 29.122 1.658 ( 20.170 11.645 0.190) 23.291 2.829 ( 32.305 18.651 0.114) 37.303 3.589 ( 9.879 5.703 -0.101) 11.407 4.344 ( 20.621 11.905 1.712) 23.872 4.590 ( 2.590 1.496 -0.246) 3.001 4.628 ( 1.464 0.845 0.313) 1.719 4.797 ( 6.393 3.691 -0.944) 7.442 5.493 ( 17.554 10.135 2.094) 20.377 5.647 ( 10.278 5.934 -4.966) 12.865 7.372 ( -9.222 -5.324 5.468) 11.970 7.595 ( -11.555 -6.671 -4.348) 14.033 15.967 ( -16.908 -9.762 0.195) 19.525 16.528 ( -29.085 -16.792 0.825) 33.595 16.896 ( -18.507 -10.685 -4.634) 21.867 19.057 ( -0.688 -0.397 -0.142) 0.807 20.810 ( 8.591 4.960 2.362) 10.197 22.019 ( 23.336 13.473 -6.787) 27.788 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 24.063 13.893 0.071) 27.786 2.096 ( 17.021 9.827 0.100) 19.655 3.462 ( 21.152 12.212 -0.100) 24.424 3.828 ( 10.269 5.929 -0.098) 11.858 4.644 ( 1.526 0.881 -0.431) 1.814 4.670 ( 2.476 1.429 0.543) 2.910 4.786 ( 16.284 9.402 2.614) 18.984 5.002 ( 11.156 6.441 -1.085) 12.927 5.861 ( 8.925 5.153 -2.539) 10.614 5.904 ( 16.931 9.775 0.804) 19.567 7.147 ( -10.535 -6.083 2.064) 12.339 7.342 ( -9.171 -5.295 -1.558) 10.704 15.544 ( -18.703 -10.798 0.233) 21.597 15.879 ( -26.164 -15.106 -0.035) 30.211 16.462 ( -17.809 -10.282 -1.722) 20.636 19.040 ( -0.708 -0.409 -0.155) 0.832 20.952 ( 3.518 2.031 0.744) 4.130 22.326 ( 5.194 2.998 -1.462) 6.173 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 13.347 7.706 0.030) 15.412 2.608 ( 21.411 12.362 -0.049) 24.724 3.825 ( 10.388 5.997 -0.171) 11.996 4.057 ( 8.939 5.161 -0.115) 10.323 4.664 ( 0.473 0.273 -0.101) 0.556 4.739 ( 2.987 1.724 0.270) 3.459 5.111 ( 11.047 6.378 2.465) 12.992 5.283 ( 11.653 6.728 -1.166) 13.506 6.060 ( 8.252 4.764 -0.383) 9.536 6.277 ( 14.448 8.341 -0.546) 16.692 6.905 ( -9.732 -5.619 0.423) 11.246 7.165 ( -5.653 -3.264 -0.140) 6.529 15.112 ( -17.726 -10.234 0.207) 20.469 15.304 ( -22.677 -13.093 -0.134) 26.185 16.068 ( -15.176 -8.762 -0.599) 17.534 19.024 ( -0.580 -0.335 -0.112) 0.679 20.992 ( 0.063 0.037 0.390) 0.397 22.325 ( -3.879 -2.240 -0.336) 4.492 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 9.216 5.321 -0.027) 10.642 3.067 ( 17.521 10.116 -0.094) 20.231 3.980 ( 3.364 1.942 -0.120) 3.887 4.238 ( 6.325 3.652 -0.100) 7.304 4.671 ( 0.201 0.116 -0.170) 0.288 4.805 ( 2.445 1.412 0.356) 2.846 5.327 ( 7.094 4.096 1.851) 8.398 5.494 ( 6.148 3.549 -1.029) 7.173 6.225 ( 5.056 2.919 0.184) 5.841 6.546 ( 6.155 3.553 -0.386) 7.117 6.738 ( -1.859 -1.073 -0.330) 2.171 7.085 ( -1.150 -0.664 0.315) 1.364 14.735 ( -13.918 -8.036 0.133) 16.072 14.827 ( -17.573 -10.146 -0.039) 20.292 15.761 ( -10.708 -6.183 -0.220) 12.367 19.013 ( -0.367 -0.212 -0.035) 0.425 20.973 ( -1.426 -0.823 0.438) 1.704 22.194 ( -6.351 -3.666 -0.279) 7.338 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 4.677 2.700 -0.068) 5.401 3.415 ( 11.572 6.681 -0.095) 13.362 4.003 ( -0.892 -0.515 -0.045) 1.031 4.349 ( 3.113 1.797 -0.006) 3.595 4.676 ( 0.281 0.162 -0.402) 0.517 4.850 ( 1.287 0.743 0.515) 1.573 5.454 ( 3.475 2.006 1.089) 4.158 5.580 ( 1.861 1.075 -0.431) 2.192 6.285 ( 0.599 0.346 -0.317) 0.761 6.530 ( -2.655 -1.533 0.440) 3.098 6.854 ( 6.670 3.851 -1.098) 7.780 7.092 ( 0.819 0.473 0.785) 1.229 14.478 ( -7.702 -4.447 0.056) 8.894 14.500 ( -9.805 -5.661 0.050) 11.322 15.570 ( -5.431 -3.135 -0.105) 6.272 19.007 ( -0.145 -0.084 0.038) 0.172 20.941 ( -1.176 -0.679 0.550) 1.465 22.060 ( -4.370 -2.523 -0.393) 5.061 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -0.121 -0.070 -0.084) 0.163 3.565 ( 0.010 0.006 -0.094) 0.095 3.978 ( -0.058 -0.034 -0.005) 0.068 4.385 ( -0.001 -0.001 0.064) 0.064 4.682 ( 0.315 0.182 -0.563) 0.670 4.864 ( -0.267 -0.154 0.614) 0.686 5.493 ( -0.317 -0.183 0.541) 0.653 5.602 ( 0.258 0.149 0.085) 0.309 6.285 ( -0.039 -0.023 -0.537) 0.539 6.497 ( -0.029 -0.017 0.419) 0.421 6.949 ( 1.101 0.636 -1.351) 1.856 7.095 ( -1.015 -0.586 1.246) 1.710 14.383 ( 0.054 0.031 0.081) 0.103 14.385 ( -0.060 -0.035 0.023) 0.073 15.506 ( -0.002 -0.001 -0.080) 0.080 19.006 ( 0.043 0.025 0.068) 0.084 20.927 ( 0.030 0.018 0.601) 0.602 22.005 ( -0.034 -0.020 -0.449) 0.451 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -0.000 17.005 2.794) 17.233 0.590 ( -0.000 27.406 0.908) 27.421 1.023 ( -0.000 48.260 0.385) 48.261 3.241 ( 0.000 5.008 -0.222) 5.013 3.390 ( -0.000 18.634 -0.346) 18.638 4.490 ( -0.000 0.850 0.467) 0.969 4.574 ( 0.000 1.371 -0.402) 1.428 4.662 ( 0.000 3.539 -1.175) 3.729 4.717 ( -0.000 11.723 1.480) 11.816 4.964 ( 0.000 24.998 -13.080) 28.213 7.771 ( -0.000 -12.806 10.111) 16.317 8.139 ( 0.000 -11.126 -4.210) 11.896 16.554 ( 0.000 -7.810 0.006) 7.810 17.385 ( 0.000 9.809 -18.529) 20.965 18.236 ( -0.000 -47.844 3.758) 47.992 19.079 ( 0.000 -0.386 -0.000) 0.386 19.198 ( 0.000 77.986 -13.305) 79.112 20.365 ( 0.000 49.597 -17.521) 52.601 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 13.061 21.235 1.549) 24.978 1.098 ( 15.840 26.265 0.549) 30.677 1.688 ( 21.974 38.220 0.148) 44.087 3.360 ( 4.541 8.424 -0.414) 9.578 3.689 ( 10.785 20.211 0.258) 22.910 4.533 ( 2.123 2.270 0.542) 3.155 4.593 ( 0.575 2.389 -0.415) 2.492 4.685 ( 0.907 1.874 -0.924) 2.278 4.972 ( 9.519 15.315 3.604) 18.388 5.255 ( 9.770 14.703 -10.912) 20.754 7.627 ( -4.664 -9.540 9.462) 14.223 7.945 ( -6.690 -11.219 -6.013) 14.380 16.409 ( -6.004 -10.047 0.065) 11.705 17.276 ( -8.368 -12.034 -6.669) 16.103 17.575 ( -18.943 -37.064 -1.631) 41.656 19.030 ( -0.663 -1.665 -0.167) 1.800 20.292 ( 32.695 28.539 7.443) 44.032 20.943 ( 14.667 55.274 -28.357) 63.831 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 20.663 20.162 0.649) 28.877 1.616 ( 11.983 27.248 0.284) 29.768 2.479 ( 29.111 25.314 0.021) 38.578 3.551 ( 5.657 11.481 -0.239) 12.801 4.129 ( 16.858 15.091 1.099) 22.653 4.606 ( 1.690 5.740 0.344) 5.994 4.638 ( 0.826 3.576 -0.078) 3.671 4.748 ( 3.552 4.037 -0.854) 5.445 5.329 ( 13.516 12.573 3.326) 18.757 5.527 ( 9.568 9.105 -6.641) 14.784 7.457 ( -6.566 -8.319 6.799) 12.591 7.680 ( -8.890 -10.394 -5.401) 14.705 16.141 ( -12.702 -10.361 0.171) 16.392 16.772 ( -22.378 -26.212 1.481) 34.497 17.020 ( -13.069 -17.398 -6.017) 22.577 19.013 ( 1.574 -3.524 -0.094) 3.860 20.791 ( 7.432 12.963 4.208) 15.524 21.747 ( 24.000 27.397 -11.017) 38.052 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 21.842 18.582 0.239) 28.678 2.072 ( 9.175 25.539 0.062) 27.138 3.170 ( 25.241 14.392 -0.094) 29.056 3.785 ( 6.616 12.960 -0.103) 14.551 4.520 ( 13.097 4.741 1.083) 13.971 4.679 ( -0.571 4.805 -0.046) 4.839 4.746 ( 4.970 12.019 1.367) 13.078 4.901 ( 7.796 7.105 -0.964) 10.592 5.708 ( 15.737 9.921 1.031) 18.632 5.754 ( 8.799 6.291 -2.897) 11.198 7.250 ( -8.609 -8.336 3.439) 12.467 7.419 ( -8.154 -8.838 -2.895) 12.368 15.752 ( -17.868 -12.927 0.230) 22.055 16.146 ( -22.125 -18.198 0.090) 28.648 16.601 ( -14.039 -16.566 -2.321) 21.838 19.010 ( 1.841 -2.901 -0.109) 3.437 20.969 ( 0.951 8.136 1.023) 8.255 22.200 ( 11.378 4.976 -2.431) 12.654 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 19.780 17.138 0.079) 26.172 2.457 ( 7.118 22.026 -0.100) 23.147 3.636 ( 16.327 5.522 -0.167) 17.236 4.034 ( 5.945 13.417 -0.071) 14.675 4.690 ( 4.509 2.483 -0.098) 5.149 4.709 ( -1.215 4.539 0.363) 4.712 5.016 ( 9.209 10.337 2.487) 14.066 5.152 ( 11.028 8.426 -1.188) 13.929 5.955 ( 8.520 4.903 -1.377) 9.926 6.083 ( 16.073 7.365 0.322) 17.683 7.010 ( -9.379 -7.704 1.089) 12.186 7.210 ( -5.724 -7.119 -0.896) 9.179 15.277 ( -17.545 -17.235 0.152) 24.594 15.618 ( -23.362 -8.195 -0.122) 24.758 16.197 ( -12.779 -14.679 -0.791) 19.478 19.018 ( 1.214 -0.783 -0.097) 1.448 21.014 ( -1.749 2.565 0.327) 3.122 22.293 ( 1.833 -6.092 -0.417) 6.375 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 2.935 20.271 -0.078) 20.482 2.866 ( 18.007 12.854 -0.096) 22.125 3.881 ( 8.650 0.963 -0.141) 8.705 4.250 ( 3.280 12.649 -0.093) 13.068 4.718 ( -2.597 4.880 -0.018) 5.528 4.784 ( 2.739 2.865 0.219) 3.970 5.250 ( 7.398 5.872 2.132) 9.683 5.402 ( 8.539 5.128 -1.245) 10.038 6.142 ( 7.588 3.242 0.098) 8.252 6.407 ( 13.101 4.488 -0.556) 13.859 6.793 ( -6.976 -5.214 0.538) 8.726 7.077 ( -1.757 -5.316 -0.352) 5.610 14.827 ( -13.106 -16.634 0.086) 21.177 15.143 ( -23.361 -3.915 -0.035) 23.686 15.868 ( -10.136 -9.675 -0.270) 14.015 19.036 ( -0.049 2.172 -0.047) 2.173 20.977 ( -2.057 -2.460 0.339) 3.225 22.193 ( -2.169 -10.511 -0.205) 10.735 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -0.825 16.845 -0.134) 16.865 3.262 ( 13.873 8.907 -0.090) 16.487 3.981 ( 2.846 -0.455 -0.073) 2.883 4.401 ( -0.156 11.553 -0.077) 11.554 4.717 ( -2.707 4.241 -0.148) 5.033 4.849 ( 1.189 2.830 0.329) 3.087 5.406 ( 4.878 2.765 1.424) 5.785 5.538 ( 3.878 1.212 -0.797) 4.140 6.259 ( 3.105 0.593 -0.029) 3.162 6.544 ( -0.411 -2.653 0.206) 2.692 6.756 ( 6.464 1.846 -0.467) 6.738 7.042 ( 2.586 -3.823 0.185) 4.619 14.501 ( -6.898 -11.884 0.070) 13.741 14.736 ( -18.515 -2.295 0.030) 18.656 15.647 ( -7.111 -3.806 -0.126) 8.066 19.058 ( -1.740 5.059 0.012) 5.350 20.911 ( -0.233 -5.983 0.489) 6.007 22.043 ( -1.586 -10.913 -0.333) 11.033 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -5.035 13.792 -0.137) 14.682 3.510 ( 6.681 2.398 -0.092) 7.099 3.991 ( -0.821 0.371 -0.003) 0.901 4.478 ( -3.852 10.384 0.029) 11.075 4.713 ( -1.961 3.506 -0.414) 4.038 4.882 ( -0.453 2.130 0.490) 2.232 5.482 ( 1.702 0.335 0.663) 1.857 5.583 ( 1.556 -0.669 -0.092) 1.696 6.282 ( 0.277 -0.368 -0.406) 0.614 6.493 ( -0.674 -2.142 0.395) 2.280 6.890 ( 5.449 -0.056 -0.949) 5.532 7.057 ( 2.675 -4.325 0.809) 5.149 14.353 ( -0.026 -5.711 0.076) 5.712 14.475 ( -9.121 0.587 0.039) 9.140 15.538 ( -3.502 0.762 -0.089) 3.585 19.074 ( -3.336 6.697 0.044) 7.482 20.864 ( 2.668 -7.204 0.580) 7.705 21.940 ( 2.032 -9.031 -0.426) 9.266 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.000 27.016 1.116) 27.039 1.141 ( -0.000 26.113 0.677) 26.122 1.979 ( -0.000 44.993 0.298) 44.994 3.385 ( 0.000 9.012 -0.287) 9.017 3.862 ( -0.000 25.975 -0.141) 25.975 4.522 ( -0.000 2.038 0.430) 2.083 4.607 ( 0.000 1.863 -0.345) 1.894 4.698 ( 0.000 2.864 -0.908) 3.005 5.087 ( -0.000 19.330 4.178) 19.777 5.319 ( 0.000 16.934 -8.853) 19.109 7.581 ( -0.000 -10.566 8.815) 13.760 7.862 ( 0.000 -13.496 -6.000) 14.770 16.323 ( 0.000 -14.655 0.003) 14.655 17.196 ( 0.000 -18.731 -3.105) 18.986 17.328 ( 0.000 -37.225 -3.025) 37.347 19.068 ( 0.000 -0.642 0.007) 0.642 20.302 ( -0.000 31.219 7.198) 32.038 21.353 ( 0.000 51.205 -22.393) 55.888 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 7.702 27.806 0.854) 28.866 1.611 ( 18.173 23.809 0.509) 29.956 2.476 ( 7.528 37.665 0.126) 38.411 3.555 ( 6.799 10.799 -0.389) 12.767 4.145 ( 3.374 22.703 0.492) 22.958 4.599 ( 4.800 4.230 0.568) 6.423 4.648 ( 2.128 2.939 -0.380) 3.648 4.747 ( 1.592 5.075 -0.858) 5.388 5.326 ( 4.675 16.590 3.801) 17.650 5.507 ( 4.046 14.294 -6.212) 16.102 7.463 ( -3.220 -10.073 6.990) 12.676 7.668 ( -4.599 -13.123 -5.372) 14.907 16.144 ( -2.792 -16.061 0.049) 16.302 16.777 ( -12.143 -33.803 1.562) 35.952 16.995 ( -6.870 -18.650 -5.260) 20.559 19.011 ( -3.668 -0.428 -0.003) 3.693 20.730 ( 14.003 13.975 5.814) 20.620 21.804 ( 4.680 34.444 -12.375) 36.898 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 14.741 25.157 0.440) 29.161 2.160 ( 14.689 25.021 0.335) 29.016 2.983 ( 13.832 23.698 -0.070) 27.439 3.807 ( 7.492 13.323 -0.302) 15.288 4.418 ( 6.657 11.948 0.890) 13.706 4.722 ( 2.195 4.221 -0.265) 4.765 4.776 ( 5.764 10.670 1.057) 12.173 4.867 ( 4.821 8.233 -0.919) 9.585 5.598 ( 8.861 12.210 2.527) 15.296 5.704 ( 4.896 10.834 -3.967) 12.533 7.293 ( -5.929 -9.964 4.117) 12.304 7.434 ( -6.061 -11.471 -3.338) 13.396 15.858 ( -11.251 -19.224 0.149) 22.274 16.254 ( -12.313 -21.754 0.283) 24.998 16.627 ( -11.363 -19.911 -2.312) 23.042 18.965 ( -0.488 -0.953 -0.021) 1.071 21.015 ( 5.380 6.996 2.120) 9.077 22.112 ( 4.897 11.298 -3.921) 12.923 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 16.690 21.390 0.134) 27.131 2.621 ( 7.267 27.309 0.099) 28.259 3.415 ( 15.180 10.023 -0.122) 18.191 4.077 ( 6.584 15.015 -0.149) 16.396 4.617 ( 6.246 5.110 0.497) 8.085 4.792 ( -0.072 6.019 -0.074) 6.020 5.006 ( 6.014 11.659 1.959) 13.264 5.076 ( 7.986 10.052 -1.202) 12.894 5.882 ( 5.555 7.558 -1.798) 9.550 5.897 ( 12.748 8.211 0.869) 15.189 7.077 ( -7.666 -9.347 1.452) 12.176 7.220 ( -5.394 -9.681 -1.168) 11.143 15.372 ( -16.460 -23.469 0.075) 28.666 15.902 ( -14.873 -6.131 -0.045) 16.087 16.211 ( -10.258 -20.949 -0.832) 23.340 18.975 ( 2.111 -0.142 -0.033) 2.116 21.091 ( -2.057 2.778 0.460) 3.487 22.187 ( 1.382 -5.328 -0.751) 5.555 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 15.782 16.307 -0.053) 22.693 2.975 ( 1.310 27.946 -0.044) 27.977 3.716 ( 11.825 2.811 -0.113) 12.155 4.330 ( 4.476 15.006 -0.079) 15.659 4.757 ( 4.391 4.186 0.139) 6.068 4.839 ( -2.537 7.580 0.098) 7.994 5.211 ( 5.254 7.882 2.049) 9.691 5.312 ( 8.020 7.285 -1.362) 10.920 6.049 ( 6.507 4.619 -0.336) 7.987 6.204 ( 14.050 4.490 -0.002) 14.750 6.860 ( -7.216 -7.064 0.854) 10.134 7.047 ( -3.211 -8.447 -0.779) 9.070 14.872 ( -13.698 -20.901 0.039) 24.990 15.513 ( -22.546 -5.495 -0.109) 23.206 15.903 ( -5.668 -11.581 -0.194) 12.895 19.034 ( 3.024 2.696 -0.022) 4.052 21.022 ( -5.488 -2.348 0.183) 5.972 22.083 ( -0.841 -14.041 -0.141) 14.066 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 10.996 11.194 -0.191) 15.692 3.243 ( -1.008 24.687 -0.050) 24.708 3.902 ( 6.974 2.058 -0.072) 7.271 4.532 ( 1.446 14.438 -0.090) 14.510 4.852 ( -2.500 6.840 -0.311) 7.289 4.863 ( -0.244 6.081 0.493) 6.105 5.358 ( 4.265 3.816 1.555) 5.930 5.474 ( 4.865 2.420 -1.095) 5.543 6.190 ( 5.420 1.358 0.164) 5.590 6.448 ( 9.288 -0.408 -0.342) 9.303 6.714 ( -2.145 -2.662 0.847) 3.522 6.945 ( 1.187 -7.392 -0.651) 7.515 14.491 ( -8.022 -15.664 0.056) 17.599 15.052 ( -20.944 -7.381 -0.005) 22.207 15.741 ( -6.235 -0.688 -0.096) 6.274 19.128 ( 1.767 7.096 -0.005) 7.313 20.875 ( -4.669 -7.911 0.341) 9.192 21.907 ( -0.102 -17.135 -0.228) 17.137 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -0.637 14.193 -0.243) 14.209 3.440 ( 2.781 9.798 -0.051) 10.185 4.012 ( 1.342 5.341 0.001) 5.507 4.675 ( -1.845 14.388 -0.103) 14.507 4.838 ( -6.411 7.904 -0.089) 10.177 4.922 ( -0.243 4.347 0.257) 4.361 5.447 ( 2.872 0.745 0.863) 3.091 5.537 ( 2.301 -0.972 -0.439) 2.536 6.257 ( 2.097 -0.628 -0.116) 2.192 6.477 ( -0.333 -3.670 0.210) 3.691 6.769 ( 6.823 -0.818 -0.047) 6.872 6.928 ( 4.623 -7.386 -0.041) 8.714 14.282 ( -1.172 -9.539 0.071) 9.611 14.670 ( -13.943 -5.272 0.046) 14.906 15.657 ( -6.402 5.806 -0.091) 8.643 19.225 ( -1.992 11.271 -0.006) 11.445 20.727 ( 0.238 -12.106 0.510) 12.119 21.757 ( 3.290 -16.668 -0.361) 16.993 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.000 29.114 0.620) 29.121 1.648 ( -0.000 23.339 0.612) 23.347 2.824 ( -0.000 37.126 0.321) 37.127 3.594 ( 0.000 11.404 -0.338) 11.409 4.386 ( -0.000 24.588 0.150) 24.589 4.575 ( -0.000 2.938 0.410) 2.967 4.643 ( 0.000 1.776 -0.309) 1.803 4.793 ( 0.000 7.265 -0.853) 7.315 5.471 ( -0.000 16.422 2.708) 16.644 5.629 ( 0.000 16.771 -4.025) 17.247 7.400 ( -0.000 -10.559 5.849) 12.071 7.558 ( 0.000 -13.787 -4.369) 14.463 15.972 ( 0.000 -19.517 -0.004) 19.517 16.529 ( -0.000 -34.639 0.907) 34.651 16.857 ( 0.000 -19.251 -3.142) 19.506 19.053 ( 0.000 -0.778 0.011) 0.778 20.748 ( -0.000 13.257 4.416) 13.974 22.071 ( 0.000 25.189 -8.332) 26.531 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 5.438 28.190 0.520) 28.714 2.066 ( 17.801 20.641 0.450) 27.261 3.166 ( -0.016 29.015 0.179) 29.015 3.789 ( 7.787 12.226 -0.356) 14.500 4.528 ( -2.885 12.309 0.528) 12.653 4.686 ( 4.219 2.357 -0.413) 4.850 4.764 ( 7.930 11.875 0.541) 14.289 4.896 ( 2.089 9.984 -0.836) 10.234 5.651 ( 2.042 14.105 2.091) 14.405 5.794 ( 0.223 15.693 -2.937) 15.967 7.274 ( -3.022 -11.009 3.048) 11.816 7.387 ( -3.072 -12.275 -1.996) 12.810 15.756 ( -2.307 -21.958 -0.002) 22.079 16.142 ( -4.631 -28.349 0.364) 28.727 16.589 ( -7.020 -19.896 -1.556) 21.155 19.008 ( -3.349 0.165 0.011) 3.353 20.946 ( 7.734 5.985 2.339) 10.055 22.225 ( -2.767 11.597 -3.850) 12.529 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 10.339 25.091 0.255) 27.139 2.618 ( 20.244 19.844 0.307) 28.350 3.414 ( 1.215 18.133 0.007) 18.174 4.079 ( 9.549 13.263 -0.289) 16.346 4.616 ( 1.432 7.756 0.547) 7.906 4.795 ( 4.964 3.079 -0.345) 5.852 5.023 ( 6.395 12.029 1.050) 13.663 5.066 ( 4.853 11.174 -0.898) 12.215 5.840 ( 4.749 10.678 1.598) 11.795 5.936 ( -0.000 13.188 -2.209) 13.372 7.091 ( -5.094 -10.733 0.325) 11.885 7.203 ( -4.511 -10.209 0.227) 11.164 15.373 ( -12.188 -25.991 -0.011) 28.707 15.900 ( 2.267 -15.961 0.097) 16.121 16.209 ( -12.909 -19.275 -0.644) 23.207 18.974 ( -1.137 1.758 0.003) 2.094 21.088 ( 3.917 -0.293 0.763) 4.001 22.191 ( -5.954 -1.481 -1.164) 6.245 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 11.455 19.756 0.047) 22.837 3.150 ( 13.930 23.969 0.123) 27.723 3.589 ( 4.342 7.481 -0.052) 8.649 4.372 ( 7.855 13.710 -0.162) 15.802 4.733 ( 3.559 5.992 0.316) 6.976 4.909 ( 2.953 5.333 -0.126) 6.098 5.223 ( 4.070 8.561 1.394) 9.581 5.269 ( 6.005 9.094 -1.089) 10.952 6.027 ( 4.664 6.162 0.430) 7.740 6.071 ( 4.421 9.606 -0.702) 10.598 6.897 ( -5.461 -8.311 0.040) 9.945 7.023 ( -4.599 -9.250 0.117) 10.331 14.886 ( -13.271 -22.944 -0.019) 26.506 15.744 ( -13.017 -22.597 -0.232) 26.079 15.844 ( -1.328 -2.319 0.046) 2.673 19.013 ( 2.310 3.993 0.003) 4.613 21.074 ( -2.636 -4.568 0.111) 5.275 22.003 ( -6.797 -11.691 -0.179) 13.525 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 10.345 13.601 -0.061) 17.088 3.536 ( -1.187 24.599 -0.057) 24.628 3.768 ( 12.143 4.235 -0.018) 12.860 4.623 ( 4.748 13.374 -0.054) 14.192 4.856 ( 3.557 5.362 0.032) 6.434 5.003 ( -0.214 8.181 0.091) 8.185 5.349 ( 2.388 4.722 1.186) 5.423 5.430 ( 3.833 5.058 -0.989) 6.423 6.133 ( 2.831 3.460 0.055) 4.470 6.269 ( 9.492 2.060 -0.071) 9.714 6.744 ( -4.327 -4.433 0.903) 6.261 6.866 ( -2.170 -8.910 -0.842) 9.209 14.475 ( -9.484 -17.382 0.013) 19.800 15.261 ( -16.682 -18.295 -0.042) 24.758 15.837 ( -1.591 3.965 -0.014) 4.273 19.136 ( 4.916 7.426 0.006) 8.906 20.915 ( -7.589 -8.151 0.109) 11.137 21.746 ( -4.165 -18.327 -0.085) 18.794 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 7.999 8.339 -0.097) 11.556 3.632 ( -4.414 9.041 -0.115) 10.061 4.067 ( 5.783 17.664 -0.015) 18.586 4.806 ( 1.491 11.866 -0.003) 11.960 4.956 ( 1.348 5.232 -0.144) 5.405 5.068 ( -4.018 11.914 0.178) 12.575 5.416 ( 1.674 1.368 0.830) 2.316 5.497 ( 1.025 0.557 -0.635) 1.328 6.201 ( 2.928 -0.160 0.089) 2.934 6.401 ( 5.276 -3.489 -0.200) 6.329 6.676 ( 0.885 -2.572 1.518) 3.115 6.778 ( 2.359 -8.093 -1.306) 8.531 14.215 ( -3.437 -10.954 0.045) 11.481 14.816 ( -13.817 -14.769 0.026) 20.225 15.857 ( -4.907 10.676 -0.054) 11.750 19.325 ( 4.661 12.191 -0.024) 13.052 20.667 ( -7.880 -12.173 0.346) 14.505 21.513 ( 1.186 -21.083 -0.248) 21.118 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -0.000 27.809 0.427) 27.813 2.089 ( -0.000 19.709 0.528) 19.716 3.456 ( -0.000 24.435 0.241) 24.436 3.832 ( 0.000 11.781 -0.317) 11.785 4.637 ( -0.000 2.578 0.151) 2.583 4.679 ( 0.000 2.118 -0.073) 2.119 4.835 ( -0.000 19.219 0.012) 19.219 4.990 ( 0.000 12.198 -0.672) 12.217 5.785 ( -0.000 13.877 1.703) 13.981 5.960 ( 0.000 16.767 -2.264) 16.919 7.185 ( 0.000 -12.285 0.014) 12.285 7.295 ( -0.000 -10.477 1.049) 10.530 15.548 ( 0.000 -21.635 -0.012) 21.635 15.875 ( 0.000 -30.181 0.224) 30.182 16.446 ( 0.000 -19.884 -0.779) 19.899 19.037 ( 0.000 -0.761 0.005) 0.761 20.939 ( -0.000 5.132 1.499) 5.346 22.342 ( 0.000 5.261 -2.355) 5.764 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 5.034 25.755 0.339) 26.244 2.451 ( 15.655 17.138 0.389) 23.216 3.633 ( -3.313 16.940 0.135) 17.261 4.036 ( 8.617 11.788 -0.270) 14.604 4.682 ( 0.672 4.664 0.529) 4.742 4.719 ( 3.841 1.587 -0.465) 4.182 5.053 ( 4.057 13.609 -0.476) 14.209 5.134 ( 1.577 13.067 0.052) 13.162 5.925 ( 0.258 12.110 1.228) 12.175 6.107 ( -1.803 15.772 -1.663) 15.962 7.036 ( -2.158 -12.006 -1.535) 12.294 7.178 ( -2.943 -8.364 2.265) 9.152 15.279 ( -6.209 -23.868 -0.044) 24.663 15.616 ( 4.621 -24.214 0.097) 24.651 16.192 ( -6.208 -18.198 -0.287) 19.230 19.017 ( -1.250 0.700 -0.001) 1.432 21.011 ( 3.234 0.256 0.592) 3.298 22.299 ( -6.427 -1.900 -0.956) 6.770 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 6.291 21.788 0.149) 22.679 2.973 ( 23.643 15.107 0.259) 28.058 3.714 ( -3.427 11.649 0.054) 12.143 4.331 ( 10.717 11.353 -0.198) 15.614 4.755 ( 1.579 5.827 0.421) 6.052 4.842 ( 7.686 1.637 -0.343) 7.866 5.233 ( 3.846 8.443 -0.961) 9.327 5.295 ( 2.373 10.545 0.839) 10.842 6.043 ( 0.895 8.771 0.461) 8.829 6.209 ( -3.240 13.663 -0.693) 14.059 6.876 ( -2.789 -9.588 -1.554) 10.106 7.030 ( -5.323 -7.068 1.816) 9.033 14.873 ( -11.283 -22.306 -0.063) 24.998 15.513 ( 6.521 -22.229 -0.001) 23.166 15.901 ( -7.127 -10.684 -0.017) 12.844 19.034 ( 0.835 3.978 -0.000) 4.065 21.023 ( 0.726 -5.756 0.031) 5.802 22.083 ( -11.821 -7.901 -0.173) 14.219 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 6.635 15.744 0.047) 17.085 3.536 ( 21.927 11.254 0.104) 24.647 3.768 ( -2.375 12.629 0.016) 12.851 4.623 ( 9.187 10.807 -0.106) 14.185 4.856 ( 2.926 5.716 0.224) 6.426 5.004 ( 7.124 3.942 -0.165) 8.144 5.354 ( 2.500 4.462 -0.435) 5.133 5.426 ( 2.799 5.824 0.432) 6.476 6.133 ( 1.585 4.267 -0.004) 4.552 6.269 ( -2.960 9.139 -0.004) 9.607 6.751 ( -1.965 -5.627 -1.136) 6.067 6.859 ( -6.353 -6.614 1.104) 9.237 14.475 ( -10.328 -16.895 -0.039) 19.802 15.261 ( -7.501 -23.583 -0.026) 24.747 15.837 ( 4.251 0.593 0.047) 4.292 19.136 ( 3.975 7.968 0.009) 8.905 20.916 ( -3.320 -10.581 -0.143) 11.090 21.745 ( -13.760 -12.822 0.082) 18.808 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( 5.917 10.248 -0.000) 11.833 3.712 ( -0.222 -0.385 -0.000) 0.444 4.121 ( 13.253 22.955 -0.000) 26.506 4.859 ( 5.532 9.582 -0.000) 11.064 4.968 ( 3.116 5.398 -0.000) 6.233 5.162 ( 4.210 7.293 -0.000) 8.421 5.411 ( 0.820 1.421 0.000) 1.641 5.510 ( 1.486 2.574 -0.000) 2.972 6.180 ( 0.638 1.105 -0.000) 1.276 6.298 ( 0.660 1.144 -0.000) 1.321 6.687 ( -4.460 -7.725 -0.000) 8.920 6.690 ( -1.036 -1.794 0.000) 2.072 14.189 ( -5.988 -10.371 -0.000) 11.975 14.860 ( -11.374 -19.700 -0.000) 22.747 15.968 ( 4.347 7.530 -0.000) 8.695 19.335 ( 6.991 12.109 -0.000) 13.982 20.701 ( -7.329 -12.695 -0.000) 14.659 21.370 ( -10.190 -17.649 -0.000) 20.379 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -0.000 15.457 0.401) 15.463 2.604 ( -0.000 24.764 0.300) 24.765 3.822 ( -0.000 12.048 0.149) 12.049 4.058 ( -0.000 10.236 -0.190) 10.238 4.666 ( 0.000 0.628 -0.285) 0.690 4.739 ( -0.000 3.442 0.264) 3.452 5.155 ( 0.000 12.469 -1.320) 12.538 5.260 ( -0.000 13.166 0.773) 13.189 6.049 ( -0.000 11.256 0.569) 11.271 6.281 ( 0.000 15.235 -0.866) 15.260 6.929 ( 0.000 -11.513 -1.943) 11.676 7.138 ( -0.000 -5.897 2.488) 6.400 15.114 ( 0.000 -20.522 -0.019) 20.522 15.302 ( 0.000 -26.076 0.021) 26.076 16.062 ( 0.000 -17.291 -0.047) 17.291 19.023 ( 0.000 -0.608 -0.014) 0.608 20.994 ( -0.000 0.434 0.179) 0.470 22.326 ( 0.000 -4.822 -0.438) 4.842 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 16.084 12.669 0.305) 20.476 2.864 ( 2.198 22.075 0.199) 22.185 3.880 ( -3.470 8.004 0.106) 8.724 4.250 ( 9.306 9.108 -0.104) 13.022 4.719 ( 5.459 0.205 -0.192) 5.466 4.785 ( 1.169 3.823 0.145) 4.001 5.276 ( 1.249 8.991 -1.535) 9.206 5.386 ( 0.171 10.102 1.127) 10.166 6.143 ( -0.989 8.630 0.007) 8.687 6.403 ( -2.588 13.031 0.004) 13.286 6.808 ( -1.023 -8.793 -1.784) 9.031 7.063 ( -3.716 -3.696 1.834) 5.553 14.828 ( -7.863 -19.679 -0.066) 21.192 15.143 ( 8.283 -22.138 0.013) 23.637 15.866 ( -3.271 -13.552 0.063) 13.942 19.036 ( 1.909 1.075 -0.019) 2.191 20.981 ( -1.115 -2.833 -0.159) 3.049 22.192 ( -8.038 -7.318 -0.011) 10.871 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 4.268 15.085 0.181) 15.678 3.242 ( 21.842 11.503 0.122) 24.686 3.902 ( -1.688 7.082 0.070) 7.281 4.532 ( 11.782 8.443 -0.029) 14.495 4.850 ( 6.614 1.605 0.332) 6.814 4.866 ( 5.934 2.492 -0.382) 6.447 5.367 ( 1.067 5.420 -1.270) 5.668 5.467 ( -0.308 5.601 0.983) 5.695 6.191 ( -1.539 5.350 -0.126) 5.569 6.445 ( -4.937 7.834 0.347) 9.266 6.722 ( -1.177 -3.356 -1.467) 3.846 6.939 ( -7.072 -2.456 1.195) 7.581 14.491 ( -9.564 -14.775 -0.075) 17.600 15.052 ( 4.080 -21.811 -0.008) 22.189 15.741 ( 2.540 -5.743 0.088) 6.280 19.128 ( 5.258 5.081 -0.004) 7.311 20.877 ( -4.542 -7.930 -0.331) 9.145 21.906 ( -14.781 -8.716 0.207) 17.161 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -0.000 10.669 0.253) 10.672 3.065 ( -0.000 20.266 0.182) 20.267 3.978 ( -0.000 3.926 0.110) 3.928 4.237 ( -0.000 7.290 -0.027) 7.290 4.671 ( 0.000 0.090 -0.151) 0.176 4.807 ( -0.000 2.970 0.012) 2.970 5.350 ( 0.000 7.709 -1.524) 7.859 5.479 ( -0.000 7.450 1.030) 7.520 6.227 ( 0.000 5.678 -0.121) 5.679 6.540 ( -0.000 7.712 0.514) 7.729 6.745 ( 0.000 -3.129 -1.410) 3.432 7.080 ( -0.000 -0.716 1.083) 1.298 14.736 ( 0.000 -16.109 -0.023) 16.109 14.827 ( 0.000 -20.237 -0.052) 20.237 15.758 ( 0.000 -12.294 0.108) 12.294 19.013 ( 0.000 -0.383 -0.038) 0.385 20.978 ( 0.000 -1.528 -0.348) 1.567 22.190 ( -0.000 -7.464 0.185) 7.467 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 14.977 7.718 0.206) 16.850 3.262 ( 0.800 16.479 0.104) 16.499 3.980 ( -1.809 2.258 0.077) 2.894 4.401 ( 10.066 5.648 0.030) 11.542 4.716 ( 5.053 -0.311 0.009) 5.062 4.850 ( 1.834 2.520 -0.156) 3.121 5.414 ( -0.083 5.356 -1.236) 5.498 5.533 ( -0.889 4.202 0.737) 4.358 6.259 ( -1.015 2.822 0.052) 2.999 6.545 ( -2.144 -1.347 -0.051) 2.533 6.755 ( -1.512 6.036 -0.300) 6.230 7.041 ( -4.663 0.626 0.360) 4.719 14.502 ( -6.839 -11.916 -0.075) 13.739 14.736 ( 7.267 -17.173 -0.022) 18.647 15.646 ( 0.265 -8.046 0.107) 8.051 19.058 ( 5.242 1.034 -0.035) 5.344 20.914 ( -5.075 -3.148 -0.467) 5.990 22.040 ( -8.652 -6.878 0.317) 11.057 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -0.000 5.408 0.131) 5.410 3.414 ( -0.000 13.370 0.103) 13.371 4.003 ( -0.000 -1.008 0.058) 1.010 4.349 ( -0.000 3.625 -0.006) 3.625 4.674 ( -0.000 0.220 0.263) 0.343 4.853 ( 0.000 1.557 -0.386) 1.604 5.461 ( 0.000 3.755 -0.969) 3.878 5.577 ( -0.000 2.396 0.372) 2.424 6.283 ( -0.000 0.558 0.336) 0.652 6.532 ( 0.000 -3.051 -0.415) 3.079 6.849 ( -0.000 7.564 0.599) 7.588 7.095 ( 0.000 1.181 -0.354) 1.233 14.478 ( 0.000 -8.906 -0.023) 8.906 14.500 ( 0.000 -11.309 -0.077) 11.310 15.569 ( 0.000 -6.255 0.098) 6.256 19.007 ( 0.000 -0.156 -0.060) 0.167 20.944 ( 0.000 -1.332 -0.549) 1.440 22.058 ( -0.000 -5.076 0.397) 5.091 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.145 ( -0.000 0.000 2.671) 2.671 0.145 ( -0.000 0.000 2.671) 2.671 0.271 ( -0.000 0.000 3.956) 3.956 3.188 ( 0.000 -0.000 -0.168) 0.168 3.188 ( 0.000 -0.000 -0.168) 0.168 4.486 ( -0.000 0.000 0.489) 0.489 4.486 ( -0.000 0.000 0.489) 0.489 4.556 ( 0.000 -0.000 -0.442) 0.442 4.556 ( 0.000 -0.000 -0.442) 0.442 4.679 ( 0.000 -0.000 -0.391) 0.391 7.961 ( -0.000 0.000 1.233) 1.233 8.307 ( 0.000 -0.000 -0.393) 0.393 16.634 ( -0.000 0.000 0.006) 0.006 16.634 ( -0.000 -0.000 0.006) 0.006 18.237 ( 0.000 -0.000 -0.026) 0.026 19.083 ( 0.000 -0.000 -0.003) 0.003 19.083 ( 0.000 -0.000 -0.003) 0.003 19.626 ( 0.000 -0.000 -0.347) 0.347 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 14.653 8.460 1.805) 17.016 0.608 ( 23.649 13.654 0.381) 27.311 1.016 ( 42.124 24.320 0.545) 48.644 3.237 ( 4.187 2.417 -0.090) 4.835 3.384 ( 15.483 8.939 -0.093) 17.878 4.502 ( 1.043 0.602 0.210) 1.222 4.564 ( 0.915 0.528 -0.181) 1.072 4.656 ( 2.160 1.247 -0.817) 2.624 4.743 ( 11.669 6.737 1.836) 13.599 4.915 ( 22.393 12.929 -11.662) 28.366 7.819 ( -9.612 -5.549 8.530) 13.998 8.119 ( -10.767 -6.216 -4.165) 13.112 16.552 ( -6.851 -3.955 0.065) 7.911 17.307 ( 10.100 5.831 -14.340) 18.484 18.251 ( -38.816 -22.410 2.554) 44.893 19.081 ( -0.258 -0.149 -0.054) 0.303 19.293 ( 81.846 47.254 -18.525) 96.306 20.160 ( 23.342 13.476 -4.398) 27.309 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 23.328 13.468 0.457) 26.941 1.155 ( 22.571 13.031 0.068) 26.063 1.980 ( 39.312 22.697 0.245) 45.394 3.379 ( 7.726 4.461 -0.016) 8.921 3.840 ( 21.856 12.619 0.682) 25.247 4.536 ( 1.877 1.084 -0.175) 2.174 4.594 ( 1.515 0.875 0.194) 1.760 4.693 ( 2.488 1.436 -0.669) 2.950 5.104 ( 16.587 9.576 3.797) 19.525 5.325 ( 15.086 8.710 -9.360) 19.775 7.618 ( -9.230 -5.329 8.615) 13.704 7.843 ( -11.515 -6.648 -6.646) 14.865 16.320 ( -12.730 -7.350 0.150) 14.700 17.155 ( -16.645 -9.610 -1.526) 19.280 17.376 ( -31.244 -18.038 -4.833) 36.399 19.071 ( -0.531 -0.306 -0.119) 0.624 20.556 ( 14.534 8.391 4.049) 17.264 21.049 ( 57.959 33.462 -17.002) 69.051 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 25.162 14.527 0.034) 29.055 1.659 ( 20.166 11.643 -0.046) 23.286 2.829 ( 32.251 18.620 -0.005) 37.240 3.588 ( 9.872 5.700 0.029) 11.400 4.356 ( 20.935 12.087 1.891) 24.248 4.588 ( 2.525 1.458 -0.450) 2.950 4.631 ( 1.541 0.890 0.482) 1.844 4.792 ( 6.344 3.662 -0.701) 7.358 5.506 ( 16.830 9.717 1.799) 19.517 5.616 ( 11.457 6.615 -4.364) 13.931 7.408 ( -10.226 -5.904 5.345) 12.962 7.565 ( -10.746 -6.204 -4.792) 13.302 15.968 ( -16.896 -9.755 0.213) 19.510 16.534 ( -29.547 -17.059 0.684) 34.125 16.868 ( -17.379 -10.034 -3.862) 20.436 19.056 ( -0.694 -0.401 -0.159) 0.817 20.819 ( 8.212 4.741 0.496) 9.496 21.985 ( 25.290 14.601 -3.575) 29.420 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 24.045 13.882 -0.117) 27.765 2.096 ( 17.023 9.828 -0.108) 19.657 3.461 ( 21.124 12.196 -0.171) 24.392 3.828 ( 10.252 5.919 0.029) 11.838 4.642 ( 1.685 0.973 -0.366) 1.980 4.674 ( 2.337 1.349 0.440) 2.734 4.804 ( 16.390 9.463 2.654) 19.111 4.996 ( 11.062 6.386 -0.946) 12.808 5.840 ( 10.292 5.942 -3.511) 12.392 5.915 ( 15.783 9.112 2.091) 18.344 7.160 ( -11.223 -6.480 1.971) 13.109 7.331 ( -8.532 -4.926 -1.923) 10.038 15.546 ( -18.704 -10.799 0.220) 21.599 15.878 ( -26.231 -15.144 -0.117) 30.289 16.452 ( -17.399 -10.045 -1.291) 20.132 19.039 ( -0.701 -0.404 -0.145) 0.822 20.955 ( 3.468 2.002 0.097) 4.005 22.320 ( 5.588 3.226 -0.429) 6.466 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 13.351 7.708 -0.142) 15.417 2.607 ( 21.410 12.361 -0.167) 24.722 3.824 ( 10.396 6.002 -0.183) 12.005 4.056 ( 8.921 5.151 -0.009) 10.302 4.664 ( 0.485 0.280 0.036) 0.561 4.740 ( 2.994 1.728 0.101) 3.458 5.127 ( 10.892 6.289 2.545) 12.832 5.275 ( 11.639 6.720 -1.314) 13.504 6.057 ( 8.734 5.042 -0.572) 10.101 6.276 ( 14.115 8.149 -0.024) 16.298 6.910 ( -9.922 -5.728 0.947) 11.496 7.161 ( -5.423 -3.131 -0.964) 6.335 15.113 ( -17.741 -10.243 0.167) 20.486 15.303 ( -22.656 -13.081 -0.111) 26.162 16.064 ( -15.038 -8.682 -0.439) 17.370 19.024 ( -0.562 -0.325 -0.080) 0.654 20.994 ( 0.098 0.056 0.225) 0.251 22.324 ( -3.867 -2.233 -0.076) 4.466 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 9.221 5.324 -0.151) 10.649 3.067 ( 17.529 10.121 -0.151) 20.242 3.979 ( 3.384 1.954 -0.122) 3.910 4.237 ( 6.327 3.653 -0.039) 7.306 4.671 ( 0.137 0.079 -0.010) 0.158 4.806 ( 2.506 1.447 0.186) 2.899 5.339 ( 6.884 3.975 1.848) 8.162 5.487 ( 6.287 3.630 -1.136) 7.348 6.226 ( 4.984 2.878 0.169) 5.758 6.543 ( 6.528 3.769 -0.507) 7.555 6.739 ( -2.350 -1.357 0.574) 2.773 7.084 ( -0.920 -0.531 -0.390) 1.132 14.736 ( -13.937 -8.046 0.084) 16.093 14.826 ( -17.548 -10.131 0.007) 20.263 15.759 ( -10.666 -6.158 -0.177) 12.317 19.013 ( -0.348 -0.201 0.002) 0.401 20.976 ( -1.385 -0.799 0.425) 1.655 22.192 ( -6.394 -3.691 -0.251) 7.387 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -0.000 16.420 1.980) 16.539 0.596 ( -0.000 27.238 0.915) 27.253 1.025 ( -0.000 48.215 0.174) 48.215 3.240 ( 0.000 4.988 -0.222) 4.993 3.388 ( -0.000 18.583 -0.330) 18.586 4.493 ( -0.000 0.832 0.506) 0.973 4.572 ( 0.000 1.395 -0.446) 1.464 4.655 ( 0.000 3.317 -0.882) 3.432 4.729 ( -0.000 13.437 2.114) 13.602 4.891 ( 0.000 23.455 -9.486) 25.300 7.830 ( -0.000 -11.211 8.001) 13.773 8.113 ( 0.000 -12.777 -3.982) 13.383 16.554 ( 0.000 -7.809 -0.028) 7.809 17.281 ( 0.000 13.621 -13.160) 18.940 18.256 ( -0.000 -49.515 2.437) 49.575 19.079 ( -0.000 -0.386 0.028) 0.387 19.129 ( 0.000 81.883 -7.768) 82.251 20.274 ( 0.000 41.172 -11.102) 42.642 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 12.784 21.117 1.029) 24.706 1.101 ( 15.710 26.320 0.395) 30.655 1.689 ( 21.956 38.150 0.116) 44.017 3.357 ( 4.591 8.374 -0.306) 9.555 3.690 ( 11.038 20.288 0.195) 23.097 4.536 ( 2.025 2.360 0.428) 3.139 4.590 ( 0.685 2.332 -0.332) 2.453 4.680 ( 0.952 1.854 -0.659) 2.185 4.998 ( 9.563 15.729 4.550) 18.962 5.187 ( 10.158 15.865 -9.782) 21.226 7.687 ( -4.955 -9.949 9.015) 14.311 7.904 ( -6.871 -11.345 -6.591) 14.811 16.410 ( -5.959 -10.052 0.051) 11.686 17.237 ( -6.098 -9.104 -5.194) 12.126 17.566 ( -20.658 -38.656 -1.027) 43.842 19.029 ( -0.673 -1.561 -0.124) 1.704 20.348 ( 36.347 31.522 9.730) 49.086 20.772 ( 13.367 56.005 -24.160) 62.441 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 20.484 20.203 0.298) 28.772 1.618 ( 11.864 27.328 0.095) 29.792 2.479 ( 29.109 25.249 -0.028) 38.534 3.550 ( 5.750 11.413 -0.097) 12.780 4.136 ( 17.136 15.121 1.015) 22.876 4.608 ( 1.452 5.996 0.064) 6.170 4.638 ( 1.104 3.459 0.173) 3.635 4.743 ( 3.541 3.984 -0.578) 5.361 5.352 ( 12.886 12.365 3.662) 18.231 5.485 ( 10.494 9.991 -6.232) 15.772 7.501 ( -7.310 -9.063 6.725) 13.447 7.643 ( -8.431 -9.797 -5.925) 14.219 16.142 ( -12.666 -10.355 0.168) 16.361 16.782 ( -22.989 -26.918 1.496) 35.430 16.984 ( -12.027 -16.012 -4.858) 20.607 19.012 ( 1.554 -3.493 -0.100) 3.824 20.812 ( 5.731 12.955 1.900) 14.293 21.689 ( 27.375 29.145 -6.397) 40.493 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 21.766 18.625 0.003) 28.647 2.072 ( 9.109 25.582 -0.111) 27.156 3.169 ( 25.221 14.374 -0.149) 29.030 3.785 ( 6.650 12.920 0.038) 14.531 4.526 ( 12.787 4.406 0.765) 13.546 4.679 ( -0.446 4.800 0.151) 4.823 4.755 ( 5.422 12.445 1.238) 13.631 4.896 ( 7.727 7.002 -0.711) 10.452 5.704 ( 12.664 9.196 -2.192) 15.803 5.747 ( 11.989 7.263 0.764) 14.038 7.271 ( -9.413 -8.956 2.910) 13.315 7.400 ( -7.471 -8.223 -2.822) 11.463 15.754 ( -17.869 -12.936 0.216) 22.061 16.146 ( -22.248 -18.301 -0.058) 28.808 16.589 ( -13.613 -16.123 -1.546) 21.158 19.010 ( 1.825 -2.874 -0.105) 3.406 20.972 ( 0.668 8.226 0.005) 8.253 22.190 ( 12.157 5.266 -0.719) 13.268 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 19.790 17.145 -0.087) 26.184 2.455 ( 7.054 22.066 -0.234) 23.167 3.635 ( 16.321 5.535 -0.177) 17.235 4.034 ( 5.937 13.392 0.055) 14.649 4.689 ( 3.862 2.847 -0.381) 4.813 4.712 ( -0.645 4.194 0.556) 4.280 5.032 ( 9.320 10.242 2.376) 14.050 5.145 ( 10.955 8.348 -1.186) 13.824 5.945 ( 9.201 5.446 -1.697) 10.826 6.088 ( 15.537 6.987 1.055) 17.069 7.018 ( -9.615 -7.878 1.300) 12.498 7.203 ( -5.506 -6.913 -1.460) 8.957 15.277 ( -17.551 -17.280 0.135) 24.630 15.617 ( -23.348 -8.172 -0.135) 24.737 16.193 ( -12.639 -14.521 -0.484) 19.257 19.018 ( 1.214 -0.760 -0.074) 1.435 21.015 ( -1.725 2.605 0.002) 3.124 22.292 ( 1.908 -6.095 0.079) 6.387 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 2.927 20.257 -0.208) 20.469 2.866 ( 18.009 12.895 -0.160) 22.150 3.880 ( 8.660 0.981 -0.131) 8.716 4.250 ( 3.264 12.630 0.006) 13.045 4.719 ( -2.592 4.865 0.090) 5.513 4.785 ( 2.741 2.891 0.045) 3.984 5.264 ( 7.269 5.710 2.035) 9.465 5.394 ( 8.601 5.166 -1.334) 10.122 6.143 ( 7.775 3.348 0.050) 8.465 6.404 ( 12.898 4.428 -0.300) 13.640 6.799 ( -7.083 -5.261 1.178) 8.901 7.072 ( -1.553 -5.214 -1.110) 5.552 14.827 ( -13.107 -16.651 0.082) 21.191 15.143 ( -23.336 -3.902 -0.026) 23.660 15.867 ( -10.102 -9.623 -0.180) 13.953 19.036 ( -0.037 2.185 -0.015) 2.185 20.979 ( -1.989 -2.438 0.270) 3.157 22.192 ( -2.223 -10.546 -0.105) 10.778 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.000 26.842 0.875) 26.856 1.145 ( -0.000 26.078 0.684) 26.087 1.980 ( -0.000 45.038 0.229) 45.039 3.383 ( 0.000 8.993 -0.290) 8.998 3.860 ( -0.000 26.089 -0.454) 26.093 4.525 ( -0.000 2.019 0.506) 2.082 4.604 ( 0.000 1.889 -0.429) 1.937 4.693 ( 0.000 2.852 -0.640) 2.923 5.117 ( -0.000 19.164 5.108) 19.833 5.265 ( 0.000 18.273 -7.681) 19.822 7.638 ( -0.000 -11.241 8.689) 14.208 7.821 ( 0.000 -13.296 -6.618) 14.852 16.323 ( 0.000 -14.647 -0.060) 14.647 17.175 ( 0.000 -13.405 -3.203) 13.782 17.317 ( 0.000 -41.397 -0.692) 41.403 19.068 ( -0.000 -0.648 0.057) 0.650 20.357 ( -0.000 30.878 9.722) 32.373 21.214 ( 0.000 55.342 -20.079) 58.872 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 7.632 27.732 0.613) 28.769 1.614 ( 18.111 23.811 0.424) 29.919 2.477 ( 7.423 37.698 0.138) 38.422 3.552 ( 6.800 10.792 -0.313) 12.760 4.147 ( 3.669 22.779 0.062) 23.072 4.603 ( 4.864 4.199 0.502) 6.445 4.645 ( 2.129 2.979 -0.425) 3.686 4.743 ( 1.599 5.033 -0.546) 5.309 5.352 ( 4.597 15.909 4.193) 17.083 5.469 ( 4.073 15.537 -5.391) 16.943 7.509 ( -3.597 -11.029 6.889) 13.492 7.631 ( -4.430 -12.334 -5.751) 14.312 16.144 ( -2.748 -16.066 -0.019) 16.300 16.786 ( -12.429 -34.666 1.313) 36.850 16.966 ( -6.553 -17.091 -3.423) 18.622 19.011 ( -3.688 -0.421 0.036) 3.712 20.767 ( 13.102 12.500 5.437) 18.907 21.731 ( 6.421 37.869 -9.664) 39.607 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 14.639 25.154 0.224) 29.105 2.162 ( 14.597 25.056 0.181) 28.998 2.983 ( 13.774 23.716 -0.033) 27.426 3.806 ( 7.563 13.285 -0.161) 15.288 4.423 ( 6.722 11.866 0.482) 13.646 4.720 ( 2.260 4.148 -0.143) 4.726 4.782 ( 6.041 10.872 0.638) 12.454 4.862 ( 4.751 8.132 -0.555) 9.434 5.614 ( 8.358 11.874 2.375) 14.714 5.681 ( 5.333 11.407 -3.155) 12.981 7.317 ( -6.532 -10.990 3.048) 13.143 7.414 ( -5.636 -10.446 -2.636) 12.159 15.859 ( -11.202 -19.260 0.083) 22.281 16.256 ( -12.476 -21.848 0.166) 25.160 16.615 ( -11.142 -19.416 -1.264) 22.421 18.965 ( -0.508 -0.939 -0.011) 1.067 21.026 ( 4.654 6.770 1.181) 8.300 22.092 ( 6.053 12.044 -2.150) 13.650 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 16.630 21.399 -0.008) 27.101 2.621 ( 7.184 27.356 -0.049) 28.284 3.414 ( 15.160 10.043 -0.093) 18.185 4.077 ( 6.635 14.971 0.004) 16.375 4.619 ( 6.131 5.100 0.146) 7.976 4.792 ( 0.022 5.958 0.092) 5.959 5.018 ( 6.267 11.718 1.597) 13.384 5.068 ( 7.900 9.906 -1.068) 12.715 5.867 ( 6.233 8.641 -2.494) 10.942 5.908 ( 12.107 7.291 2.027) 14.277 7.085 ( -7.764 -9.757 1.071) 12.515 7.213 ( -5.402 -9.233 -1.085) 10.752 15.373 ( -16.455 -23.517 0.062) 28.702 15.902 ( -14.934 -6.102 -0.079) 16.133 16.207 ( -10.121 -20.770 -0.366) 23.108 18.974 ( 2.101 -0.125 -0.027) 2.105 21.093 ( -2.214 2.802 0.033) 3.572 22.184 ( 1.667 -5.287 -0.090) 5.544 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 15.745 16.313 -0.110) 22.672 2.975 ( 1.282 27.984 -0.163) 28.014 3.715 ( 11.816 2.834 -0.089) 12.152 4.330 ( 4.480 14.978 0.062) 15.633 4.757 ( 4.314 4.233 -0.160) 6.046 4.840 ( -2.480 7.533 0.247) 7.935 5.224 ( 5.273 7.720 1.788) 9.518 5.303 ( 8.022 7.289 -1.348) 10.922 6.046 ( 6.824 4.901 -0.446) 8.413 6.205 ( 13.780 4.292 0.390) 14.438 6.867 ( -7.140 -7.145 1.216) 10.174 7.041 ( -3.272 -8.312 -1.320) 9.030 14.872 ( -13.687 -20.918 0.055) 24.998 15.513 ( -22.519 -5.495 -0.059) 23.180 15.902 ( -5.664 -11.506 -0.095) 12.825 19.034 ( 3.024 2.708 -0.012) 4.059 21.023 ( -5.435 -2.327 0.082) 5.913 22.082 ( -0.859 -14.079 0.017) 14.105 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.000 29.056 0.525) 29.061 1.652 ( -0.000 23.318 0.575) 23.325 2.826 ( -0.000 37.124 0.310) 37.126 3.592 ( 0.000 11.397 -0.314) 11.402 4.385 ( 0.000 24.725 -0.640) 24.733 4.578 ( -0.000 2.903 0.497) 2.945 4.641 ( 0.000 1.814 -0.420) 1.862 4.789 ( 0.000 7.219 -0.482) 7.235 5.490 ( -0.000 15.789 2.997) 16.071 5.605 ( 0.000 17.564 -3.183) 17.850 7.436 ( -0.000 -11.973 5.040) 12.990 7.530 ( 0.000 -12.475 -3.911) 13.074 15.972 ( 0.000 -19.505 -0.085) 19.505 16.534 ( 0.000 -34.952 0.662) 34.958 16.841 ( 0.000 -18.526 -1.505) 18.587 19.054 ( -0.000 -0.791 0.071) 0.794 20.776 ( -0.000 11.922 4.191) 12.637 22.022 ( 0.000 27.781 -6.613) 28.557 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 5.390 28.154 0.383) 28.668 2.069 ( 17.747 20.640 0.386) 27.223 3.167 ( -0.085 29.008 0.205) 29.009 3.787 ( 7.795 12.228 -0.282) 14.504 4.530 ( -2.799 12.494 0.121) 12.804 4.683 ( 4.241 2.252 -0.398) 4.818 4.765 ( 8.087 11.842 -0.174) 14.341 4.893 ( 2.089 9.970 -0.299) 10.190 5.666 ( 2.048 13.739 2.749) 14.160 5.775 ( 0.150 16.078 -2.783) 16.318 7.288 ( -3.188 -12.607 1.036) 13.045 7.378 ( -3.034 -10.701 -0.277) 11.126 15.756 ( -2.293 -21.955 -0.092) 22.074 16.144 ( -4.690 -28.466 0.322) 28.852 16.582 ( -6.991 -19.555 -0.569) 20.775 19.009 ( -3.356 0.155 0.052) 3.360 20.960 ( 7.431 5.308 1.842) 9.316 22.204 ( -2.280 12.731 -2.700) 13.213 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 10.273 25.081 0.139) 27.104 2.620 ( 20.179 19.864 0.192) 28.316 3.414 ( 1.161 18.141 0.056) 18.179 4.077 ( 9.591 13.250 -0.156) 16.358 4.619 ( 1.399 7.786 0.220) 7.913 4.794 ( 5.048 3.045 -0.239) 5.900 5.025 ( 6.832 11.703 -0.471) 13.559 5.063 ( 4.614 11.456 0.264) 12.353 5.852 ( 4.607 10.280 2.098) 11.459 5.922 ( 0.107 13.615 -2.175) 13.788 7.090 ( -4.878 -11.436 -0.463) 12.442 7.206 ( -4.865 -9.503 0.768) 10.703 15.373 ( -12.172 -26.009 -0.039) 28.717 15.901 ( 2.232 -15.989 0.097) 16.144 16.206 ( -12.891 -19.121 -0.153) 23.061 18.974 ( -1.144 1.757 0.016) 2.097 21.092 ( 3.704 -0.481 0.399) 3.757 22.186 ( -5.641 -1.205 -0.585) 5.798 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 11.411 19.765 -0.000) 22.823 3.150 ( 13.858 24.003 -0.000) 27.716 3.588 ( 4.325 7.491 -0.000) 8.650 4.372 ( 7.900 13.683 -0.000) 15.800 4.734 ( 3.479 6.027 -0.000) 6.959 4.909 ( 3.051 5.285 -0.000) 6.102 5.228 ( 4.666 8.081 0.000) 9.331 5.265 ( 5.489 9.506 -0.000) 10.977 6.029 ( 3.732 6.464 -0.000) 7.463 6.069 ( 5.393 9.341 -0.000) 10.786 6.898 ( -4.996 -8.654 -0.000) 9.993 7.023 ( -5.135 -8.894 -0.000) 10.270 14.886 ( -13.255 -22.958 -0.000) 26.509 15.743 ( -13.018 -22.548 -0.000) 26.037 15.844 ( -1.336 -2.315 -0.000) 2.673 19.013 ( 2.307 3.997 -0.000) 4.615 21.074 ( -2.658 -4.603 -0.000) 5.315 22.003 ( -6.734 -11.664 -0.000) 13.468 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.000 27.779 0.370) 27.782 2.092 ( -0.000 19.686 0.445) 19.691 3.458 ( -0.000 24.399 0.257) 24.400 3.830 ( 0.000 11.797 -0.250) 11.799 4.638 ( -0.000 2.362 0.229) 2.373 4.678 ( 0.000 2.322 -0.203) 2.331 4.831 ( 0.000 19.207 -1.256) 19.248 4.988 ( -0.000 12.343 0.023) 12.343 5.799 ( -0.000 13.447 2.533) 13.683 5.945 ( 0.000 17.089 -2.348) 17.250 7.181 ( 0.000 -13.313 -1.044) 13.354 7.305 ( -0.000 -9.502 1.836) 9.677 15.548 ( 0.000 -21.619 -0.101) 21.619 15.876 ( 0.000 -30.273 0.227) 30.274 16.443 ( 0.000 -19.723 -0.070) 19.723 19.038 ( -0.000 -0.778 0.064) 0.781 20.948 ( -0.000 4.593 1.126) 4.729 22.329 ( 0.000 6.042 -1.644) 6.261 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 4.981 25.731 0.230) 26.210 2.454 ( 15.632 17.128 0.335) 23.192 3.634 ( -3.343 16.916 0.169) 17.244 4.035 ( 8.618 11.813 -0.174) 14.624 4.686 ( 0.747 4.628 0.492) 4.714 4.715 ( 3.770 1.640 -0.552) 4.148 5.045 ( 4.116 13.344 -1.748) 14.073 5.138 ( 1.671 13.426 0.867) 13.557 5.934 ( 0.207 11.501 1.599) 11.614 6.096 ( -1.764 16.299 -1.483) 16.461 7.027 ( -2.070 -12.304 -1.456) 12.561 7.192 ( -3.113 -8.145 1.940) 8.933 15.278 ( -6.209 -23.859 -0.097) 24.654 15.616 ( 4.609 -24.265 0.127) 24.699 16.191 ( -6.215 -18.134 0.105) 19.169 19.017 ( -1.253 0.686 0.040) 1.429 21.014 ( 3.167 -0.019 0.321) 3.183 22.294 ( -6.315 -1.551 -0.562) 6.527 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -0.000 15.432 0.293) 15.435 2.606 ( -0.000 24.736 0.253) 24.737 3.823 ( -0.000 12.023 0.178) 12.024 4.057 ( -0.000 10.271 -0.097) 10.272 4.665 ( 0.000 0.588 -0.165) 0.610 4.740 ( -0.000 3.455 0.079) 3.456 5.143 ( 0.000 12.461 -2.215) 12.656 5.266 ( -0.000 13.352 1.249) 13.411 6.053 ( -0.000 10.706 0.636) 10.725 6.277 ( 0.000 15.778 -0.475) 15.786 6.918 ( 0.000 -11.547 -1.445) 11.637 7.152 ( -0.000 -6.047 1.755) 6.297 15.114 ( 0.000 -20.504 -0.101) 20.504 15.302 ( 0.000 -26.123 0.072) 26.123 16.062 ( 0.000 -17.283 0.212) 17.284 19.023 ( -0.000 -0.628 0.036) 0.629 20.995 ( 0.000 0.240 -0.024) 0.241 22.324 ( 0.000 -4.586 -0.196) 4.590 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.159 ( -0.000 0.000 1.776) 1.776 0.159 ( -0.000 0.000 1.776) 1.776 0.291 ( -0.000 0.000 2.301) 2.301 3.187 ( 0.000 -0.000 -0.120) 0.120 3.187 ( 0.000 -0.000 -0.120) 0.120 4.489 ( -0.000 0.000 0.382) 0.382 4.489 ( -0.000 0.000 0.382) 0.382 4.553 ( 0.000 -0.000 -0.349) 0.349 4.553 ( 0.000 -0.000 -0.349) 0.349 4.677 ( 0.000 -0.000 -0.230) 0.230 7.968 ( -0.000 0.000 0.842) 0.842 8.305 ( 0.000 -0.000 -0.226) 0.226 16.634 ( -0.000 0.000 0.004) 0.004 16.634 ( -0.000 0.000 0.004) 0.004 18.237 ( 0.000 -0.000 -0.019) 0.019 19.083 ( 0.000 -0.000 -0.003) 0.003 19.083 ( 0.000 -0.000 -0.003) 0.003 19.624 ( 0.000 -0.000 -0.265) 0.265 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 14.242 8.223 0.886) 16.469 0.610 ( 23.534 13.588 0.033) 27.175 1.019 ( 42.004 24.251 0.508) 48.505 3.236 ( 4.206 2.428 -0.003) 4.856 3.383 ( 15.583 8.997 -0.004) 17.993 4.503 ( 0.946 0.546 -0.026) 1.093 4.563 ( 1.008 0.582 0.033) 1.164 4.652 ( 2.216 1.279 -0.568) 2.621 4.757 ( 12.953 7.479 2.454) 15.157 4.850 ( 20.387 11.770 -8.534) 25.040 7.867 ( -7.854 -4.534 6.000) 10.874 8.094 ( -12.537 -7.238 -3.452) 14.883 16.552 ( -6.829 -3.943 0.082) 7.886 17.231 ( 12.428 7.175 -9.039) 16.960 18.264 ( -40.880 -23.602 1.577) 47.231 19.080 ( -0.276 -0.159 -0.070) 0.326 19.191 ( 79.649 45.985 -12.694) 92.842 20.147 ( 22.483 12.981 -0.157) 25.962 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 23.212 13.401 0.023) 26.803 1.155 ( 22.557 13.023 -0.197) 26.047 1.982 ( 39.240 22.655 0.135) 45.311 3.379 ( 7.736 4.466 0.095) 8.933 3.845 ( 22.152 12.789 0.814) 25.592 4.534 ( 1.813 1.047 -0.378) 2.127 4.596 ( 1.580 0.912 0.367) 1.861 4.690 ( 2.472 1.427 -0.365) 2.878 5.131 ( 16.360 9.446 4.381) 19.392 5.267 ( 16.239 9.375 -8.382) 20.539 7.673 ( -9.711 -5.607 8.183) 13.882 7.798 ( -11.459 -6.616 -7.232) 15.079 16.321 ( -12.711 -7.338 0.161) 14.678 17.148 ( -13.165 -7.601 -0.672) 15.216 17.349 ( -33.940 -19.595 -3.674) 39.363 19.070 ( -0.544 -0.314 -0.132) 0.642 20.556 ( 14.754 8.518 -4.622) 17.652 20.983 ( 60.560 34.964 -2.742) 69.983 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 25.137 14.513 -0.209) 29.026 1.658 ( 20.169 11.645 -0.271) 23.291 2.829 ( 32.203 18.593 -0.132) 37.185 3.589 ( 9.868 5.698 0.150) 11.396 4.368 ( 21.206 12.244 1.765) 24.551 4.585 ( 2.495 1.440 -0.535) 2.930 4.634 ( 1.581 0.913 0.530) 1.901 4.788 ( 6.289 3.631 -0.360) 7.270 5.514 ( 15.376 8.877 0.330) 17.757 5.593 ( 13.264 7.658 -2.224) 15.476 7.440 ( -11.357 -6.557 4.442) 13.846 7.534 ( -9.754 -5.631 -4.499) 12.128 15.970 ( -16.888 -9.750 0.198) 19.501 16.537 ( -30.011 -17.327 0.322) 34.655 16.848 ( -16.442 -9.493 -2.399) 19.137 19.055 ( -0.695 -0.402 -0.151) 0.817 20.816 ( 8.433 4.869 -1.519) 9.855 21.974 ( 26.064 15.048 0.199) 30.097 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 24.044 13.882 -0.267) 27.765 2.095 ( 17.033 9.834 -0.298) 19.670 3.460 ( 21.117 12.192 -0.228) 24.385 3.829 ( 10.234 5.908 0.150) 11.818 4.640 ( 1.861 1.074 -0.299) 2.169 4.676 ( 2.180 1.258 0.326) 2.538 4.820 ( 16.521 9.539 2.211) 19.205 4.990 ( 10.889 6.287 -0.606) 12.588 5.818 ( 11.122 6.421 -3.207) 13.237 5.929 ( 15.158 8.752 2.328) 17.658 7.172 ( -11.629 -6.714 1.665) 13.531 7.318 ( -8.143 -4.701 -2.070) 9.628 15.547 ( -18.711 -10.803 0.173) 21.606 15.877 ( -26.251 -15.156 -0.187) 30.312 16.445 ( -17.143 -9.897 -0.659) 19.806 19.038 ( -0.689 -0.398 -0.113) 0.803 20.954 ( 3.631 2.096 -0.565) 4.230 22.321 ( 5.598 3.232 0.666) 6.499 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -0.000 16.135 1.199) 16.180 0.601 ( -0.000 27.126 0.802) 27.138 1.025 ( -0.000 48.226 -0.045) 48.226 3.238 ( 0.000 4.958 -0.194) 4.961 3.386 ( -0.000 18.465 -0.269) 18.467 4.497 ( -0.000 0.846 0.484) 0.974 4.569 ( 0.000 1.389 -0.435) 1.455 4.650 ( 0.000 3.138 -0.511) 3.180 4.745 ( -0.000 15.483 3.016) 15.774 4.838 ( 0.000 21.242 -6.704) 22.275 7.874 ( -0.000 -8.953 5.399) 10.455 8.089 ( 0.000 -14.855 -3.105) 15.176 16.554 ( 0.000 -7.818 -0.057) 7.818 17.214 ( 0.000 15.277 -7.462) 17.002 18.268 ( -0.000 -50.325 1.295) 50.342 19.079 ( -0.000 -0.377 0.053) 0.381 19.096 ( 0.000 84.192 -2.564) 84.231 20.215 ( 0.000 34.922 -7.212) 35.659 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 12.510 21.126 0.500) 24.558 1.103 ( 15.529 26.418 0.204) 30.645 1.689 ( 21.957 38.097 0.064) 43.971 3.356 ( 4.669 8.314 -0.162) 9.537 3.691 ( 11.337 20.268 0.105) 23.223 4.538 ( 1.822 2.503 0.238) 3.105 4.589 ( 0.898 2.211 -0.186) 2.393 4.677 ( 0.996 1.827 -0.340) 2.108 5.031 ( 9.473 16.084 5.445) 19.445 5.129 ( 10.180 16.580 -8.157) 21.097 7.743 ( -4.959 -9.721 7.865) 13.452 7.861 ( -7.232 -11.823 -6.622) 15.360 16.410 ( -5.899 -10.071 0.028) 11.672 17.210 ( -4.694 -7.476 -2.822) 9.268 17.561 ( -21.889 -39.347 -0.495) 45.029 19.028 ( -0.723 -1.466 -0.066) 1.636 20.420 ( 40.092 35.882 12.455) 55.227 20.629 ( 11.038 53.462 -19.755) 58.054 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 20.340 20.280 -0.037) 28.723 1.618 ( 11.745 27.421 -0.101) 29.830 2.479 ( 29.075 25.221 -0.080) 38.489 3.550 ( 5.837 11.353 0.055) 12.766 4.142 ( 17.435 15.030 0.765) 23.032 4.607 ( 1.268 6.181 -0.190) 6.313 4.640 ( 1.344 3.393 0.353) 3.667 4.741 ( 3.531 3.934 -0.226) 5.290 5.374 ( 11.860 12.000 2.769) 17.097 5.449 ( 11.578 10.879 -4.238) 16.443 7.543 ( -8.287 -9.981 5.820) 14.218 7.604 ( -7.694 -8.912 -5.688) 13.076 16.143 ( -12.623 -10.362 0.138) 16.332 16.790 ( -23.795 -27.886 0.902) 36.669 16.960 ( -11.050 -14.564 -2.597) 18.465 19.012 ( 1.529 -3.460 -0.091) 3.784 20.815 ( 4.379 13.926 -1.115) 14.641 21.667 ( 29.739 29.069 -0.532) 41.590 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 21.713 18.683 -0.208) 28.645 2.071 ( 9.048 25.635 -0.267) 27.186 3.168 ( 25.194 14.388 -0.191) 29.013 3.786 ( 6.677 12.886 0.172) 14.514 4.529 ( 12.468 4.082 0.334) 13.124 4.681 ( -0.303 4.794 0.309) 4.813 4.761 ( 5.877 12.787 0.832) 14.097 4.893 ( 7.644 6.874 -0.275) 10.284 5.686 ( 10.993 8.619 -3.124) 14.314 5.758 ( 13.723 8.050 2.359) 16.084 7.286 ( -9.882 -9.370 1.501) 13.701 7.384 ( -7.110 -7.763 -1.866) 10.691 15.755 ( -17.869 -12.949 0.167) 22.068 16.146 ( -22.314 -18.338 -0.209) 28.883 16.582 ( -13.401 -15.864 -0.525) 20.773 19.009 ( 1.815 -2.849 -0.085) 3.379 20.969 ( 0.645 8.567 -1.015) 8.651 22.191 ( 12.431 5.054 1.094) 13.463 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -0.000 26.756 0.612) 26.763 1.149 ( -0.000 26.054 0.597) 26.061 1.982 ( -0.000 45.117 0.123) 45.118 3.381 ( 0.000 8.971 -0.255) 8.975 3.856 ( 0.000 26.050 -0.694) 26.059 4.528 ( -0.000 2.020 0.530) 2.088 4.601 ( 0.000 1.894 -0.470) 1.951 4.689 ( 0.000 2.842 -0.314) 2.859 5.151 ( -0.000 18.542 4.797) 19.153 5.222 ( 0.000 19.519 -5.063) 20.165 7.693 ( -0.000 -11.452 8.132) 14.045 7.777 ( 0.000 -13.298 -6.990) 15.023 16.323 ( 0.000 -14.649 -0.112) 14.649 17.157 ( 0.000 -11.622 -2.140) 11.817 17.318 ( -0.000 -42.506 0.995) 42.517 19.069 ( -0.000 -0.647 0.098) 0.655 20.427 ( -0.000 28.641 11.544) 30.880 21.095 ( 0.000 59.534 -16.240) 61.709 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 7.525 27.717 0.340) 28.722 1.616 ( 18.007 23.837 0.282) 29.875 2.478 ( 7.344 37.742 0.121) 38.450 3.551 ( 6.840 10.768 -0.197) 12.759 4.146 ( 3.996 22.748 -0.384) 23.100 4.605 ( 4.845 4.174 0.376) 6.406 4.642 ( 2.170 2.961 -0.426) 3.696 4.741 ( 1.614 5.013 -0.165) 5.269 5.376 ( 4.568 15.301 2.482) 16.160 5.441 ( 3.878 16.441 -2.324) 17.052 7.550 ( -4.186 -12.511 5.157) 14.165 7.595 ( -4.033 -10.880 -4.622) 12.491 16.144 ( -2.702 -16.085 -0.085) 16.310 16.792 ( -12.538 -35.173 0.321) 37.343 16.953 ( -6.560 -16.218 -0.542) 17.503 19.011 ( -3.721 -0.413 0.068) 3.744 20.798 ( 11.633 11.224 3.833) 16.613 21.682 ( 8.407 40.043 -5.210) 41.246 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 14.543 25.189 -0.000) 29.086 2.163 ( 14.496 25.108 -0.000) 28.993 2.983 ( 13.711 23.748 -0.000) 27.422 3.805 ( 7.644 13.239 -0.000) 15.287 4.424 ( 6.811 11.798 -0.000) 13.623 4.720 ( 2.356 4.081 -0.000) 4.713 4.784 ( 6.283 10.883 -0.000) 12.566 4.860 ( 4.677 8.101 -0.000) 9.354 5.624 ( 7.069 12.243 -0.000) 14.137 5.668 ( 6.465 11.198 -0.000) 12.930 7.328 ( -6.782 -11.746 0.000) 13.563 7.404 ( -5.558 -9.627 -0.000) 11.117 15.859 ( -11.142 -19.298 -0.000) 22.283 16.256 ( -12.611 -21.842 -0.000) 25.221 16.611 ( -11.096 -19.219 -0.000) 22.192 18.965 ( -0.533 -0.923 -0.000) 1.066 21.030 ( 3.992 6.915 -0.000) 7.984 22.085 ( 6.947 12.033 -0.000) 13.895 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.000 29.027 0.392) 29.030 1.655 ( -0.000 23.301 0.455) 23.305 2.828 ( -0.000 37.145 0.242) 37.146 3.590 ( 0.000 11.394 -0.249) 11.397 4.378 ( 0.000 24.687 -1.325) 24.723 4.581 ( -0.000 2.881 0.542) 2.931 4.638 ( 0.000 1.833 -0.499) 1.900 4.787 ( -0.000 7.219 -0.052) 7.219 5.508 ( -0.000 15.957 2.149) 16.101 5.590 ( 0.000 17.352 -1.212) 17.394 7.457 ( -0.000 -13.866 0.277) 13.869 7.515 ( -0.000 -10.591 0.361) 10.597 15.971 ( 0.000 -19.499 -0.154) 19.499 16.537 ( 0.000 -34.979 0.192) 34.979 16.838 ( -0.000 -18.413 0.475) 18.419 19.054 ( -0.000 -0.799 0.120) 0.808 20.800 ( -0.000 10.640 3.196) 11.110 21.987 ( 0.000 29.544 -3.793) 29.786 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( -0.000 0.000 0.883) 0.883 0.168 ( -0.000 0.000 0.883) 0.883 0.302 ( -0.000 0.000 1.019) 1.019 3.187 ( 0.000 -0.000 -0.062) 0.062 3.187 ( 0.000 -0.000 -0.062) 0.062 4.491 ( -0.000 0.000 0.210) 0.210 4.491 ( -0.000 0.000 0.210) 0.210 4.552 ( 0.000 -0.000 -0.193) 0.193 4.552 ( 0.000 -0.000 -0.193) 0.193 4.676 ( 0.000 -0.000 -0.099) 0.099 7.972 ( -0.000 0.000 0.417) 0.417 8.304 ( 0.000 -0.000 -0.094) 0.094 16.634 ( -0.000 0.000 0.002) 0.002 16.634 ( -0.000 0.000 0.002) 0.002 18.237 ( 0.000 -0.000 -0.010) 0.010 19.083 ( 0.000 -0.000 -0.001) 0.001 19.083 ( 0.000 -0.000 -0.001) 0.001 19.623 ( 0.000 -0.000 -0.144) 0.144 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 14.009 8.088 0.126) 16.177 0.609 ( 23.466 13.548 -0.303) 27.098 1.022 ( 41.897 24.190 0.404) 48.381 3.237 ( 4.232 2.444 0.077) 4.888 3.384 ( 15.712 9.072 0.090) 18.143 4.502 ( 0.850 0.491 -0.241) 1.011 4.564 ( 1.099 0.634 0.226) 1.288 4.649 ( 2.367 1.366 -0.255) 2.745 4.775 ( 14.385 8.305 3.299) 16.934 4.803 ( 18.102 10.451 -6.027) 21.753 7.895 ( -6.176 -3.566 2.554) 7.575 8.077 ( -14.211 -8.205 -1.661) 16.494 16.553 ( -6.806 -3.930 0.086) 7.860 17.189 ( 13.408 7.741 -3.601) 15.895 18.272 ( -42.491 -24.532 0.658) 49.069 19.080 ( -0.295 -0.170 -0.075) 0.349 19.126 ( 76.955 44.430 -7.268) 89.157 20.155 ( 23.770 13.724 2.389) 27.551 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 23.162 13.372 -0.326) 26.747 1.153 ( 22.554 13.022 -0.428) 26.047 1.982 ( 39.156 22.607 0.005) 45.214 3.380 ( 7.751 4.475 0.188) 8.952 3.851 ( 22.402 12.934 0.820) 25.880 4.531 ( 1.770 1.022 -0.492) 2.102 4.598 ( 1.623 0.937 0.455) 1.928 4.689 ( 2.462 1.421 -0.030) 2.843 5.158 ( 15.752 9.094 3.165) 18.462 5.220 ( 17.273 9.973 -5.160) 20.602 7.722 ( -9.049 -5.225 5.412) 11.767 7.752 ( -12.354 -7.132 -5.524) 15.297 16.322 ( -12.695 -7.330 0.148) 14.660 17.148 ( -10.795 -6.232 0.648) 12.482 17.329 ( -35.961 -20.762 -2.376) 41.592 19.069 ( -0.555 -0.320 -0.125) 0.653 20.502 ( 20.288 11.713 -10.919) 25.846 21.009 ( 56.284 32.495 9.587) 65.694 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -0.000 16.072 0.524) 16.080 0.606 ( -0.000 27.079 0.590) 27.085 1.024 ( -0.000 48.284 -0.244) 48.284 3.237 ( 0.000 4.922 -0.145) 4.924 3.384 ( -0.000 18.308 -0.184) 18.309 4.500 ( -0.000 0.896 0.397) 0.980 4.566 ( 0.000 1.347 -0.363) 1.395 4.648 ( 0.000 2.944 -0.114) 2.947 4.769 ( -0.000 17.808 4.256) 18.309 4.802 ( 0.000 19.060 -4.680) 19.626 7.898 ( -0.000 -7.009 1.760) 7.226 8.075 ( 0.000 -16.619 -1.073) 16.653 16.553 ( 0.000 -7.835 -0.078) 7.836 17.184 ( 0.000 15.745 -1.871) 15.856 18.273 ( 0.000 -50.162 0.280) 50.163 19.079 ( -0.000 -0.361 0.069) 0.368 19.095 ( -0.000 86.299 2.317) 86.330 20.177 ( 0.000 30.461 -4.585) 30.804 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 12.256 21.228 -0.000) 24.512 1.104 ( 15.321 26.537 -0.000) 30.642 1.690 ( 21.978 38.067 -0.000) 43.956 3.355 ( 4.765 8.253 -0.000) 9.530 3.691 ( 11.634 20.150 -0.000) 23.268 4.539 ( 1.544 2.674 -0.000) 3.088 4.588 ( 1.181 2.046 -0.000) 2.363 4.675 ( 1.039 1.800 -0.000) 2.079 5.060 ( 9.149 15.846 -0.000) 18.298 5.091 ( 10.051 17.410 -0.000) 20.103 7.777 ( -4.703 -8.146 0.000) 9.406 7.830 ( -7.738 -13.402 -0.000) 15.476 16.410 ( -5.834 -10.104 -0.000) 11.667 17.201 ( -4.069 -7.048 -0.000) 8.138 17.560 ( -22.701 -39.319 -0.000) 45.402 19.028 ( -0.806 -1.396 -0.000) 1.612 20.502 ( 41.392 71.693 -0.000) 82.785 20.523 ( 10.424 18.054 0.000) 20.848 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.83e-04 5.83e-04 1.84e-05 1.84e-05 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.171 ( -0.000 0.000 0.000) 0.000 0.171 ( -0.000 0.000 0.000) 0.000 0.305 ( -0.000 0.000 0.000) 0.000 3.186 ( -0.000 0.000 0.000) 0.000 3.186 ( -0.000 0.000 0.000) 0.000 4.491 ( -0.000 0.000 0.000) 0.000 4.491 ( -0.000 0.000 0.000) 0.000 4.551 ( -0.000 0.000 0.000) 0.000 4.551 ( -0.000 0.000 0.000) 0.000 4.676 ( -0.000 0.000 0.000) 0.000 7.974 ( -0.000 0.000 0.000) 0.000 8.304 ( -0.000 0.000 0.000) 0.000 16.634 ( -0.000 0.000 0.000) 0.000 16.634 ( -0.000 0.000 0.000) 0.000 18.236 ( -0.000 0.000 0.000) 0.000 19.083 ( -0.000 0.000 0.000) 0.000 19.083 ( -0.000 0.000 0.000) 0.000 19.622 ( -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 3/73728 10.0 74.846 74.846 -2.365 0.000 -0.000 -0.000 3/73728 20.0 135.459 135.459 -1.250 0.000 -0.000 -0.000 3/73728 30.0 139.029 139.029 -0.942 0.000 -0.000 -0.000 3/73728 40.0 107.290 107.290 -0.835 0.000 -0.000 -0.000 3/73728 50.0 81.068 81.068 -0.817 0.000 -0.000 -0.000 3/73728 60.0 63.852 63.852 -0.868 0.000 -0.000 -0.000 3/73728 70.0 52.499 52.499 -0.992 0.000 -0.000 -0.000 3/73728 80.0 44.651 44.651 -1.220 0.000 -0.000 -0.000 3/73728 90.0 38.951 38.951 -1.634 0.000 -0.000 -0.000 3/73728 100.0 34.626 34.626 -2.491 0.000 -0.000 -0.000 3/73728 110.0 31.224 31.224 -5.069 0.000 -0.000 -0.000 3/73728 120.0 28.468 28.468 -272.398 -0.000 0.000 -0.000 3/73728 130.0 26.181 26.181 5.611 0.000 -0.000 -0.000 3/73728 140.0 24.248 24.248 2.868 0.000 -0.000 -0.000 3/73728 150.0 22.587 22.587 1.966 0.000 -0.000 -0.000 3/73728 160.0 21.142 21.142 1.517 0.000 -0.000 -0.000 3/73728 170.0 19.873 19.873 1.247 0.000 -0.000 -0.000 3/73728 180.0 18.749 18.749 1.067 0.000 -0.000 -0.000 3/73728 190.0 17.745 17.745 0.938 0.000 -0.000 -0.000 3/73728 200.0 16.843 16.843 0.841 0.000 -0.000 -0.000 3/73728 210.0 16.029 16.029 0.765 0.000 -0.000 -0.000 3/73728 220.0 15.290 15.290 0.703 0.000 -0.000 -0.000 3/73728 230.0 14.616 14.616 0.653 0.000 -0.000 -0.000 3/73728 240.0 13.999 13.999 0.610 0.000 -0.000 -0.000 3/73728 250.0 13.433 13.433 0.573 0.000 -0.000 -0.000 3/73728 260.0 12.911 12.911 0.542 0.000 -0.000 -0.000 3/73728 270.0 12.428 12.428 0.514 0.000 -0.000 -0.000 3/73728 280.0 11.980 11.980 0.489 0.000 -0.000 -0.000 3/73728 290.0 11.564 11.564 0.468 0.000 -0.000 -0.000 3/73728 300.0 11.176 11.176 0.448 0.000 -0.000 -0.000 3/73728 310.0 10.813 10.813 0.430 0.000 -0.000 -0.000 3/73728 320.0 10.473 10.473 0.414 0.000 -0.000 -0.000 3/73728 330.0 10.155 10.155 0.399 0.000 -0.000 -0.000 3/73728 340.0 9.855 9.855 0.385 0.000 -0.000 -0.000 3/73728 350.0 9.573 9.573 0.372 0.000 -0.000 -0.000 3/73728 360.0 9.306 9.306 0.361 0.000 -0.000 -0.000 3/73728 370.0 9.054 9.054 0.350 0.000 -0.000 -0.000 3/73728 380.0 8.816 8.816 0.339 0.000 -0.000 -0.000 3/73728 390.0 8.590 8.590 0.330 0.000 -0.000 -0.000 3/73728 400.0 8.376 8.376 0.321 0.000 -0.000 -0.000 3/73728 410.0 8.172 8.172 0.312 0.000 -0.000 -0.000 3/73728 420.0 7.977 7.977 0.304 0.000 -0.000 -0.000 3/73728 430.0 7.792 7.792 0.297 0.000 -0.000 -0.000 3/73728 440.0 7.616 7.616 0.290 0.000 -0.000 -0.000 3/73728 450.0 7.447 7.447 0.283 0.000 -0.000 -0.000 3/73728 460.0 7.286 7.286 0.276 0.000 -0.000 -0.000 3/73728 470.0 7.131 7.131 0.270 0.000 -0.000 -0.000 3/73728 480.0 6.984 6.984 0.264 0.000 -0.000 -0.000 3/73728 490.0 6.842 6.842 0.259 0.000 -0.000 -0.000 3/73728 500.0 6.706 6.706 0.253 0.000 -0.000 -0.000 3/73728 510.0 6.575 6.575 0.248 0.000 -0.000 -0.000 3/73728 520.0 6.449 6.449 0.243 0.000 -0.000 -0.000 3/73728 530.0 6.328 6.328 0.239 0.000 -0.000 -0.000 3/73728 540.0 6.212 6.212 0.234 0.000 -0.000 -0.000 3/73728 550.0 6.099 6.099 0.230 0.000 -0.000 -0.000 3/73728 560.0 5.991 5.991 0.226 0.000 -0.000 -0.000 3/73728 570.0 5.887 5.887 0.222 0.000 -0.000 -0.000 3/73728 580.0 5.786 5.786 0.218 0.000 -0.000 -0.000 3/73728 590.0 5.689 5.689 0.214 0.000 -0.000 -0.000 3/73728 600.0 5.595 5.595 0.210 0.000 -0.000 -0.000 3/73728 610.0 5.504 5.504 0.207 0.000 -0.000 -0.000 3/73728 620.0 5.416 5.416 0.204 0.000 -0.000 -0.000 3/73728 630.0 5.330 5.330 0.200 0.000 -0.000 -0.000 3/73728 640.0 5.248 5.248 0.197 0.000 -0.000 -0.000 3/73728 650.0 5.168 5.168 0.194 0.000 -0.000 -0.000 3/73728 660.0 5.090 5.090 0.191 0.000 -0.000 -0.000 3/73728 670.0 5.015 5.015 0.188 0.000 -0.000 -0.000 3/73728 680.0 4.941 4.941 0.186 0.000 -0.000 -0.000 3/73728 690.0 4.870 4.870 0.183 0.000 -0.000 -0.000 3/73728 700.0 4.801 4.801 0.180 0.000 -0.000 -0.000 3/73728 710.0 4.734 4.734 0.178 0.000 -0.000 -0.000 3/73728 720.0 4.669 4.669 0.175 0.000 -0.000 -0.000 3/73728 730.0 4.606 4.606 0.173 0.000 -0.000 -0.000 3/73728 740.0 4.544 4.544 0.171 0.000 -0.000 -0.000 3/73728 750.0 4.484 4.484 0.168 0.000 -0.000 -0.000 3/73728 760.0 4.425 4.425 0.166 0.000 -0.000 -0.000 3/73728 770.0 4.368 4.368 0.164 0.000 -0.000 -0.000 3/73728 780.0 4.313 4.313 0.162 0.000 -0.000 -0.000 3/73728 790.0 4.259 4.259 0.160 0.000 -0.000 -0.000 3/73728 800.0 4.206 4.206 0.158 0.000 -0.000 -0.000 3/73728 810.0 4.155 4.155 0.156 0.000 -0.000 -0.000 3/73728 820.0 4.104 4.104 0.154 0.000 -0.000 -0.000 3/73728 830.0 4.055 4.055 0.152 0.000 -0.000 -0.000 3/73728 840.0 4.008 4.008 0.150 0.000 -0.000 -0.000 3/73728 850.0 3.961 3.961 0.149 0.000 -0.000 -0.000 3/73728 860.0 3.915 3.915 0.147 0.000 -0.000 -0.000 3/73728 870.0 3.871 3.871 0.145 0.000 -0.000 -0.000 3/73728 880.0 3.827 3.827 0.144 0.000 -0.000 -0.000 3/73728 890.0 3.784 3.784 0.142 0.000 -0.000 -0.000 3/73728 900.0 3.743 3.743 0.140 0.000 -0.000 -0.000 3/73728 910.0 3.702 3.702 0.139 0.000 -0.000 -0.000 3/73728 920.0 3.662 3.662 0.137 0.000 -0.000 -0.000 3/73728 930.0 3.623 3.623 0.136 0.000 -0.000 -0.000 3/73728 940.0 3.585 3.585 0.135 0.000 -0.000 -0.000 3/73728 950.0 3.547 3.547 0.133 0.000 -0.000 -0.000 3/73728 960.0 3.511 3.511 0.132 0.000 -0.000 -0.000 3/73728 970.0 3.475 3.475 0.130 0.000 -0.000 -0.000 3/73728 980.0 3.440 3.440 0.129 0.000 -0.000 -0.000 3/73728 990.0 3.405 3.405 0.128 0.000 -0.000 -0.000 3/73728 1000.0 3.372 3.372 0.127 0.000 -0.000 -0.000 3/73728 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:27:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|