----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:59:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.770640740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.532978660000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.169808460000000 Atomic positions (fractional): *1 O 0.69061433276723 0.44065633563464 0.82571667308804 15.999 2 O 0.80938566723277 0.55934366436536 0.32571667308804 15.999 3 O 0.19061433276723 0.05934366436536 0.67428332691196 15.999 4 O 0.30938566723277 0.94065633563464 0.17428332691196 15.999 5 O 0.30938566723277 0.55934366436536 0.17428332691196 15.999 6 O 0.19061433276723 0.44065633563464 0.67428332691196 15.999 7 O 0.80938566723277 0.94065633563464 0.32571667308804 15.999 8 O 0.69061433276723 0.05934366436536 0.82571667308804 15.999 *9 O 0.54852894638745 0.25000000000000 0.36808219969466 15.999 10 O 0.95147105361255 0.75000000000000 0.86808219969467 15.999 11 O 0.04852894638745 0.25000000000000 0.13191780030534 15.999 12 O 0.45147105361255 0.75000000000000 0.63191780030533 15.999 *13 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 14 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 15 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 16 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 *17 Tb 0.08718302894205 0.75000000000000 0.46660220690706 158.925 18 Tb 0.41281697105795 0.25000000000000 0.96660220690706 158.925 19 Tb 0.58718302894205 0.75000000000000 0.03339779309294 158.925 20 Tb 0.91281697105795 0.25000000000000 0.53339779309294 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.770640740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.532978660000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.169808460000000 Atomic positions (fractional): *1 O 0.69061433276723 0.44065633563464 0.82571667308804 15.999 > 1 2 O 0.80938566723277 0.55934366436536 0.32571667308804 15.999 > 2 3 O 0.19061433276723 0.05934366436536 0.67428332691196 15.999 > 3 4 O 0.30938566723277 0.94065633563464 0.17428332691196 15.999 > 4 5 O 0.30938566723277 0.55934366436536 0.17428332691196 15.999 > 5 6 O 0.19061433276723 0.44065633563464 0.67428332691196 15.999 > 6 7 O 0.80938566723277 0.94065633563464 0.32571667308804 15.999 > 7 8 O 0.69061433276723 0.05934366436536 0.82571667308804 15.999 > 8 *9 O 0.54852894638745 0.25000000000000 0.36808219969466 15.999 > 9 10 O 0.95147105361255 0.75000000000000 0.86808219969467 15.999 > 10 11 O 0.04852894638745 0.25000000000000 0.13191780030534 15.999 > 11 12 O 0.45147105361255 0.75000000000000 0.63191780030533 15.999 > 12 *13 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 13 14 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 14 15 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 15 16 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 16 *17 Tb 0.08718302894205 0.75000000000000 0.46660220690706 158.925 > 17 18 Tb 0.41281697105795 0.25000000000000 0.96660220690706 158.925 > 18 19 Tb 0.58718302894205 0.75000000000000 0.03339779309294 158.925 > 19 20 Tb 0.91281697105795 0.25000000000000 0.53339779309294 158.925 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.541281480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.532978660000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.339616919999999 Atomic positions (fractional): *1 O 0.34530716638362 0.44065633563464 0.41285833654402 15.999 > 1 2 O 0.84530716638362 0.44065633563464 0.41285833654402 15.999 > 1 3 O 0.34530716638362 0.44065633563464 0.91285833654402 15.999 > 1 4 O 0.84530716638362 0.44065633563464 0.91285833654402 15.999 > 1 5 O 0.40469283361638 0.55934366436536 0.16285833654402 15.999 > 2 6 O 0.90469283361638 0.55934366436536 0.16285833654402 15.999 > 2 7 O 0.40469283361638 0.55934366436536 0.66285833654402 15.999 > 2 8 O 0.90469283361638 0.55934366436536 0.66285833654402 15.999 > 2 9 O 0.09530716638362 0.05934366436536 0.33714166345598 15.999 > 3 10 O 0.59530716638362 0.05934366436536 0.33714166345598 15.999 > 3 11 O 0.09530716638362 0.05934366436536 0.83714166345598 15.999 > 3 12 O 0.59530716638362 0.05934366436536 0.83714166345598 15.999 > 3 13 O 0.15469283361638 0.94065633563464 0.08714166345598 15.999 > 4 14 O 0.65469283361638 0.94065633563464 0.08714166345598 15.999 > 4 15 O 0.15469283361638 0.94065633563464 0.58714166345598 15.999 > 4 16 O 0.65469283361638 0.94065633563464 0.58714166345598 15.999 > 4 17 O 0.15469283361638 0.55934366436536 0.08714166345598 15.999 > 5 18 O 0.65469283361638 0.55934366436536 0.08714166345598 15.999 > 5 19 O 0.15469283361638 0.55934366436536 0.58714166345598 15.999 > 5 20 O 0.65469283361638 0.55934366436536 0.58714166345598 15.999 > 5 21 O 0.09530716638362 0.44065633563464 0.33714166345598 15.999 > 6 22 O 0.59530716638362 0.44065633563464 0.33714166345598 15.999 > 6 23 O 0.09530716638362 0.44065633563464 0.83714166345598 15.999 > 6 24 O 0.59530716638362 0.44065633563464 0.83714166345598 15.999 > 6 25 O 0.40469283361638 0.94065633563464 0.16285833654402 15.999 > 7 26 O 0.90469283361638 0.94065633563464 0.16285833654402 15.999 > 7 27 O 0.40469283361638 0.94065633563464 0.66285833654402 15.999 > 7 28 O 0.90469283361638 0.94065633563464 0.66285833654402 15.999 > 7 29 O 0.34530716638362 0.05934366436536 0.41285833654402 15.999 > 8 30 O 0.84530716638362 0.05934366436536 0.41285833654402 15.999 > 8 31 O 0.34530716638362 0.05934366436536 0.91285833654402 15.999 > 8 32 O 0.84530716638362 0.05934366436536 0.91285833654402 15.999 > 8 *33 O 0.27426447319372 0.25000000000000 0.18404109984733 15.999 > 9 34 O 0.77426447319372 0.25000000000000 0.18404109984733 15.999 > 9 35 O 0.27426447319372 0.25000000000000 0.68404109984733 15.999 > 9 36 O 0.77426447319372 0.25000000000000 0.68404109984733 15.999 > 9 37 O 0.47573552680628 0.75000000000000 0.43404109984733 15.999 > 10 38 O 0.97573552680628 0.75000000000000 0.43404109984733 15.999 > 10 39 O 0.47573552680628 0.75000000000000 0.93404109984733 15.999 > 10 40 O 0.97573552680628 0.75000000000000 0.93404109984733 15.999 > 10 41 O 0.02426447319372 0.25000000000000 0.06595890015267 15.999 > 11 42 O 0.52426447319372 0.25000000000000 0.06595890015267 15.999 > 11 43 O 0.02426447319372 0.25000000000000 0.56595890015267 15.999 > 11 44 O 0.52426447319372 0.25000000000000 0.56595890015267 15.999 > 11 45 O 0.22573552680628 0.75000000000000 0.31595890015267 15.999 > 12 46 O 0.72573552680628 0.75000000000000 0.31595890015267 15.999 > 12 47 O 0.22573552680628 0.75000000000000 0.81595890015267 15.999 > 12 48 O 0.72573552680628 0.75000000000000 0.81595890015267 15.999 > 12 *49 Rh 0.25000000000000 0.50000000000000 0.25000000000000 102.906 > 13 50 Rh 0.75000000000000 0.50000000000000 0.25000000000000 102.906 > 13 51 Rh 0.25000000000000 0.50000000000000 0.75000000000000 102.906 > 13 52 Rh 0.75000000000000 0.50000000000000 0.75000000000000 102.906 > 13 53 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 14 54 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 14 55 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 14 56 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 14 57 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 15 58 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 15 59 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 15 60 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 15 61 Rh 0.25000000000000 0.00000000000000 0.25000000000000 102.906 > 16 62 Rh 0.75000000000000 0.00000000000000 0.25000000000000 102.906 > 16 63 Rh 0.25000000000000 0.00000000000000 0.75000000000000 102.906 > 16 64 Rh 0.75000000000000 0.00000000000000 0.75000000000000 102.906 > 16 *65 Tb 0.04359151447103 0.75000000000000 0.23330110345353 158.925 > 17 66 Tb 0.54359151447103 0.75000000000000 0.23330110345353 158.925 > 17 67 Tb 0.04359151447103 0.75000000000000 0.73330110345353 158.925 > 17 68 Tb 0.54359151447103 0.75000000000000 0.73330110345353 158.925 > 17 69 Tb 0.20640848552897 0.25000000000000 0.48330110345353 158.925 > 18 70 Tb 0.70640848552897 0.25000000000000 0.48330110345353 158.925 > 18 71 Tb 0.20640848552897 0.25000000000000 0.98330110345353 158.925 > 18 72 Tb 0.70640848552897 0.25000000000000 0.98330110345353 158.925 > 18 73 Tb 0.29359151447103 0.75000000000000 0.01669889654647 158.925 > 19 74 Tb 0.79359151447103 0.75000000000000 0.01669889654647 158.925 > 19 75 Tb 0.29359151447103 0.75000000000000 0.51669889654647 158.925 > 19 76 Tb 0.79359151447103 0.75000000000000 0.51669889654647 158.925 > 19 77 Tb 0.45640848552897 0.25000000000000 0.26669889654647 158.925 > 20 78 Tb 0.95640848552897 0.25000000000000 0.26669889654647 158.925 > 20 79 Tb 0.45640848552897 0.25000000000000 0.76669889654647 158.925 > 20 80 Tb 0.95640848552897 0.25000000000000 0.76669889654647 158.925 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.7371042 0.0000000 0.0000000 0.0000000 10.1853926 0.0000000 0.0000000 0.0000000 11.1021597 -------------------------- Born effective charges -------------------------- 1 O -2.3309276 -0.0655330 -0.6946632 0.0343756 -1.3932760 -0.1620723 -0.8489635 -0.3322327 -1.8779978 2 O -2.3309276 -0.0655330 0.6946632 0.0343756 -1.3932760 0.1620723 0.8489635 0.3322327 -1.8779978 3 O -2.3309276 0.0655330 0.6946632 -0.0343756 -1.3932760 -0.1620723 0.8489635 -0.3322327 -1.8779978 4 O -2.3309276 0.0655330 -0.6946632 -0.0343756 -1.3932760 0.1620723 -0.8489635 0.3322327 -1.8779978 5 O -2.3309276 -0.0655330 -0.6946632 0.0343756 -1.3932760 -0.1620723 -0.8489635 -0.3322327 -1.8779978 6 O -2.3309276 -0.0655330 0.6946632 0.0343756 -1.3932760 0.1620723 0.8489635 0.3322327 -1.8779978 7 O -2.3309276 0.0655330 0.6946632 -0.0343756 -1.3932760 -0.1620723 0.8489635 -0.3322327 -1.8779978 8 O -2.3309276 0.0655330 -0.6946632 -0.0343756 -1.3932760 0.1620723 -0.8489635 0.3322327 -1.8779978 9 O -1.1960680 0.0000000 -0.6303592 0.0000000 -2.7990127 0.0000000 -0.7323548 0.0000000 -1.4041130 10 O -1.1960680 0.0000000 0.6303592 0.0000000 -2.7990127 0.0000000 0.7323548 0.0000000 -1.4041130 11 O -1.1960680 0.0000000 0.6303592 0.0000000 -2.7990127 0.0000000 0.7323548 0.0000000 -1.4041130 12 O -1.1960680 0.0000000 -0.6303592 0.0000000 -2.7990127 0.0000000 -0.7323548 0.0000000 -1.4041130 13 Rh 1.5938028 -0.3202002 0.9235255 -0.7444160 1.5875720 0.9990005 -0.2773552 -0.4591595 0.8464662 14 Rh 1.5938028 -0.3202002 -0.9235255 -0.7444160 1.5875720 -0.9990005 0.2773552 0.4591595 0.8464662 15 Rh 1.5938028 0.3202002 -0.9235255 0.7444160 1.5875720 0.9990005 0.2773552 -0.4591595 0.8464662 16 Rh 1.5938028 0.3202002 0.9235255 0.7444160 1.5875720 -0.9990005 -0.2773552 0.4591595 0.8464662 17 Tb 4.2641205 0.0000000 0.0900192 0.0000000 3.9979926 0.0000000 0.2902385 0.0000000 4.3136424 18 Tb 4.2641205 0.0000000 -0.0900192 0.0000000 3.9979926 0.0000000 -0.2902385 0.0000000 4.3136424 19 Tb 4.2641205 0.0000000 -0.0900192 0.0000000 3.9979926 0.0000000 -0.2902385 0.0000000 4.3136424 20 Tb 4.2641205 0.0000000 0.0900192 0.0000000 3.9979926 0.0000000 0.2902385 0.0000000 4.3136424 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.730 Solver_block: 200 / 320 - Time: 0.731 Solver_block: 300 / 320 - Time: 0.731 Solver_block: 320 / 320 - Time: 0.183 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.393 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:59:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:59:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.770640740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.532978660000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.169808460000000 Atomic positions (fractional): 1 O 0.69061433276723 0.44065633563464 0.82571667308804 15.999 2 O 0.80938566723277 0.55934366436536 0.32571667308804 15.999 3 O 0.19061433276723 0.05934366436536 0.67428332691196 15.999 4 O 0.30938566723277 0.94065633563464 0.17428332691196 15.999 5 O 0.30938566723277 0.55934366436536 0.17428332691196 15.999 6 O 0.19061433276723 0.44065633563464 0.67428332691196 15.999 7 O 0.80938566723277 0.94065633563464 0.32571667308804 15.999 8 O 0.69061433276723 0.05934366436536 0.82571667308804 15.999 9 O 0.54852894638745 0.25000000000000 0.36808219969466 15.999 10 O 0.95147105361255 0.75000000000000 0.86808219969467 15.999 11 O 0.04852894638745 0.25000000000000 0.13191780030534 15.999 12 O 0.45147105361255 0.75000000000000 0.63191780030533 15.999 13 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 14 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 15 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 16 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 17 Tb 0.08718302894205 0.75000000000000 0.46660220690706 158.925 18 Tb 0.41281697105795 0.25000000000000 0.96660220690706 158.925 19 Tb 0.58718302894205 0.75000000000000 0.03339779309294 158.925 20 Tb 0.91281697105795 0.25000000000000 0.53339779309294 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.541281480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.532978660000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.339616919999999 Atomic positions (fractional): 1 O 0.34530716638362 0.44065633563464 0.41285833654402 15.999 > 1 2 O 0.84530716638362 0.44065633563464 0.41285833654402 15.999 > 1 3 O 0.34530716638362 0.44065633563464 0.91285833654402 15.999 > 1 4 O 0.84530716638362 0.44065633563464 0.91285833654402 15.999 > 1 5 O 0.40469283361638 0.55934366436536 0.16285833654402 15.999 > 5 6 O 0.90469283361638 0.55934366436536 0.16285833654402 15.999 > 5 7 O 0.40469283361638 0.55934366436536 0.66285833654402 15.999 > 5 8 O 0.90469283361638 0.55934366436536 0.66285833654402 15.999 > 5 9 O 0.09530716638362 0.05934366436536 0.33714166345598 15.999 > 9 10 O 0.59530716638362 0.05934366436536 0.33714166345598 15.999 > 9 11 O 0.09530716638362 0.05934366436536 0.83714166345598 15.999 > 9 12 O 0.59530716638362 0.05934366436536 0.83714166345598 15.999 > 9 13 O 0.15469283361638 0.94065633563464 0.08714166345598 15.999 > 13 14 O 0.65469283361638 0.94065633563464 0.08714166345598 15.999 > 13 15 O 0.15469283361638 0.94065633563464 0.58714166345598 15.999 > 13 16 O 0.65469283361638 0.94065633563464 0.58714166345598 15.999 > 13 17 O 0.15469283361638 0.55934366436536 0.08714166345598 15.999 > 17 18 O 0.65469283361638 0.55934366436536 0.08714166345598 15.999 > 17 19 O 0.15469283361638 0.55934366436536 0.58714166345598 15.999 > 17 20 O 0.65469283361638 0.55934366436536 0.58714166345598 15.999 > 17 21 O 0.09530716638362 0.44065633563464 0.33714166345598 15.999 > 21 22 O 0.59530716638362 0.44065633563464 0.33714166345598 15.999 > 21 23 O 0.09530716638362 0.44065633563464 0.83714166345598 15.999 > 21 24 O 0.59530716638362 0.44065633563464 0.83714166345598 15.999 > 21 25 O 0.40469283361638 0.94065633563464 0.16285833654402 15.999 > 25 26 O 0.90469283361638 0.94065633563464 0.16285833654402 15.999 > 25 27 O 0.40469283361638 0.94065633563464 0.66285833654402 15.999 > 25 28 O 0.90469283361638 0.94065633563464 0.66285833654402 15.999 > 25 29 O 0.34530716638362 0.05934366436536 0.41285833654402 15.999 > 29 30 O 0.84530716638362 0.05934366436536 0.41285833654402 15.999 > 29 31 O 0.34530716638362 0.05934366436536 0.91285833654402 15.999 > 29 32 O 0.84530716638362 0.05934366436536 0.91285833654402 15.999 > 29 33 O 0.27426447319372 0.25000000000000 0.18404109984733 15.999 > 33 34 O 0.77426447319372 0.25000000000000 0.18404109984733 15.999 > 33 35 O 0.27426447319372 0.25000000000000 0.68404109984733 15.999 > 33 36 O 0.77426447319372 0.25000000000000 0.68404109984733 15.999 > 33 37 O 0.47573552680628 0.75000000000000 0.43404109984733 15.999 > 37 38 O 0.97573552680628 0.75000000000000 0.43404109984733 15.999 > 37 39 O 0.47573552680628 0.75000000000000 0.93404109984733 15.999 > 37 40 O 0.97573552680628 0.75000000000000 0.93404109984733 15.999 > 37 41 O 0.02426447319372 0.25000000000000 0.06595890015267 15.999 > 41 42 O 0.52426447319372 0.25000000000000 0.06595890015267 15.999 > 41 43 O 0.02426447319372 0.25000000000000 0.56595890015267 15.999 > 41 44 O 0.52426447319372 0.25000000000000 0.56595890015267 15.999 > 41 45 O 0.22573552680628 0.75000000000000 0.31595890015267 15.999 > 45 46 O 0.72573552680628 0.75000000000000 0.31595890015267 15.999 > 45 47 O 0.22573552680628 0.75000000000000 0.81595890015267 15.999 > 45 48 O 0.72573552680628 0.75000000000000 0.81595890015267 15.999 > 45 49 Rh 0.25000000000000 0.50000000000000 0.25000000000000 102.906 > 49 50 Rh 0.75000000000000 0.50000000000000 0.25000000000000 102.906 > 49 51 Rh 0.25000000000000 0.50000000000000 0.75000000000000 102.906 > 49 52 Rh 0.75000000000000 0.50000000000000 0.75000000000000 102.906 > 49 53 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 53 54 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 53 55 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 53 56 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 53 57 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 57 58 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 57 59 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 57 60 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 57 61 Rh 0.25000000000000 0.00000000000000 0.25000000000000 102.906 > 61 62 Rh 0.75000000000000 0.00000000000000 0.25000000000000 102.906 > 61 63 Rh 0.25000000000000 0.00000000000000 0.75000000000000 102.906 > 61 64 Rh 0.75000000000000 0.00000000000000 0.75000000000000 102.906 > 61 65 Tb 0.04359151447103 0.75000000000000 0.23330110345353 158.925 > 65 66 Tb 0.54359151447103 0.75000000000000 0.23330110345353 158.925 > 65 67 Tb 0.04359151447103 0.75000000000000 0.73330110345353 158.925 > 65 68 Tb 0.54359151447103 0.75000000000000 0.73330110345353 158.925 > 65 69 Tb 0.20640848552897 0.25000000000000 0.48330110345353 158.925 > 69 70 Tb 0.70640848552897 0.25000000000000 0.48330110345353 158.925 > 69 71 Tb 0.20640848552897 0.25000000000000 0.98330110345353 158.925 > 69 72 Tb 0.70640848552897 0.25000000000000 0.98330110345353 158.925 > 69 73 Tb 0.29359151447103 0.75000000000000 0.01669889654647 158.925 > 73 74 Tb 0.79359151447103 0.75000000000000 0.01669889654647 158.925 > 73 75 Tb 0.29359151447103 0.75000000000000 0.51669889654647 158.925 > 73 76 Tb 0.79359151447103 0.75000000000000 0.51669889654647 158.925 > 73 77 Tb 0.45640848552897 0.25000000000000 0.26669889654647 158.925 > 77 78 Tb 0.95640848552897 0.25000000000000 0.26669889654647 158.925 > 77 79 Tb 0.45640848552897 0.25000000000000 0.76669889654647 158.925 > 77 80 Tb 0.95640848552897 0.25000000000000 0.76669889654647 158.925 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.7371042 0.0000000 0.0000000 0.0000000 10.1853926 0.0000000 0.0000000 0.0000000 11.1021597 -------------------------- Born effective charges -------------------------- 1 O -2.3309276 -0.0655330 -0.6946632 0.0343756 -1.3932760 -0.1620723 -0.8489635 -0.3322327 -1.8779978 2 O -2.3309276 -0.0655330 0.6946632 0.0343756 -1.3932760 0.1620723 0.8489635 0.3322327 -1.8779978 3 O -2.3309276 0.0655330 0.6946632 -0.0343756 -1.3932760 -0.1620723 0.8489635 -0.3322327 -1.8779978 4 O -2.3309276 0.0655330 -0.6946632 -0.0343756 -1.3932760 0.1620723 -0.8489635 0.3322327 -1.8779978 5 O -2.3309276 -0.0655330 -0.6946632 0.0343756 -1.3932760 -0.1620723 -0.8489635 -0.3322327 -1.8779978 6 O -2.3309276 -0.0655330 0.6946632 0.0343756 -1.3932760 0.1620723 0.8489635 0.3322327 -1.8779978 7 O -2.3309276 0.0655330 0.6946632 -0.0343756 -1.3932760 -0.1620723 0.8489635 -0.3322327 -1.8779978 8 O -2.3309276 0.0655330 -0.6946632 -0.0343756 -1.3932760 0.1620723 -0.8489635 0.3322327 -1.8779978 9 O -1.1960680 0.0000000 -0.6303592 0.0000000 -2.7990127 0.0000000 -0.7323548 0.0000000 -1.4041130 10 O -1.1960680 0.0000000 0.6303592 0.0000000 -2.7990127 0.0000000 0.7323548 0.0000000 -1.4041130 11 O -1.1960680 0.0000000 0.6303592 0.0000000 -2.7990127 0.0000000 0.7323548 0.0000000 -1.4041130 12 O -1.1960680 0.0000000 -0.6303592 0.0000000 -2.7990127 0.0000000 -0.7323548 0.0000000 -1.4041130 13 Rh 1.5938028 -0.3202002 0.9235255 -0.7444160 1.5875720 0.9990005 -0.2773552 -0.4591595 0.8464662 14 Rh 1.5938028 -0.3202002 -0.9235255 -0.7444160 1.5875720 -0.9990005 0.2773552 0.4591595 0.8464662 15 Rh 1.5938028 0.3202002 -0.9235255 0.7444160 1.5875720 0.9990005 0.2773552 -0.4591595 0.8464662 16 Rh 1.5938028 0.3202002 0.9235255 0.7444160 1.5875720 -0.9990005 -0.2773552 0.4591595 0.8464662 17 Tb 4.2641205 0.0000000 0.0900192 0.0000000 3.9979926 0.0000000 0.2902385 0.0000000 4.3136424 18 Tb 4.2641205 0.0000000 -0.0900192 0.0000000 3.9979926 0.0000000 -0.2902385 0.0000000 4.3136424 19 Tb 4.2641205 0.0000000 -0.0900192 0.0000000 3.9979926 0.0000000 -0.2902385 0.0000000 4.3136424 20 Tb 4.2641205 0.0000000 0.0900192 0.0000000 3.9979926 0.0000000 0.2902385 0.0000000 4.3136424 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:59:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:59:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.770640740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.532978660000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.169808460000000 Atomic positions (fractional): 1 O 0.69061433276723 0.44065633563464 0.82571667308804 15.999 2 O 0.80938566723277 0.55934366436536 0.32571667308804 15.999 3 O 0.19061433276723 0.05934366436536 0.67428332691196 15.999 4 O 0.30938566723277 0.94065633563464 0.17428332691196 15.999 5 O 0.30938566723277 0.55934366436536 0.17428332691196 15.999 6 O 0.19061433276723 0.44065633563464 0.67428332691196 15.999 7 O 0.80938566723277 0.94065633563464 0.32571667308804 15.999 8 O 0.69061433276723 0.05934366436536 0.82571667308804 15.999 9 O 0.54852894638745 0.25000000000000 0.36808219969466 15.999 10 O 0.95147105361255 0.75000000000000 0.86808219969467 15.999 11 O 0.04852894638745 0.25000000000000 0.13191780030534 15.999 12 O 0.45147105361255 0.75000000000000 0.63191780030533 15.999 13 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 14 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 15 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 16 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 17 Tb 0.08718302894205 0.75000000000000 0.46660220690706 158.925 18 Tb 0.41281697105795 0.25000000000000 0.96660220690706 158.925 19 Tb 0.58718302894205 0.75000000000000 0.03339779309294 158.925 20 Tb 0.91281697105795 0.25000000000000 0.53339779309294 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.541281480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.532978660000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.339616919999999 Atomic positions (fractional): 1 O 0.34530716638362 0.44065633563464 0.41285833654402 15.999 > 1 2 O 0.84530716638362 0.44065633563464 0.41285833654402 15.999 > 1 3 O 0.34530716638362 0.44065633563464 0.91285833654402 15.999 > 1 4 O 0.84530716638362 0.44065633563464 0.91285833654402 15.999 > 1 5 O 0.40469283361638 0.55934366436536 0.16285833654402 15.999 > 5 6 O 0.90469283361638 0.55934366436536 0.16285833654402 15.999 > 5 7 O 0.40469283361638 0.55934366436536 0.66285833654402 15.999 > 5 8 O 0.90469283361638 0.55934366436536 0.66285833654402 15.999 > 5 9 O 0.09530716638362 0.05934366436536 0.33714166345598 15.999 > 9 10 O 0.59530716638362 0.05934366436536 0.33714166345598 15.999 > 9 11 O 0.09530716638362 0.05934366436536 0.83714166345598 15.999 > 9 12 O 0.59530716638362 0.05934366436536 0.83714166345598 15.999 > 9 13 O 0.15469283361638 0.94065633563464 0.08714166345598 15.999 > 13 14 O 0.65469283361638 0.94065633563464 0.08714166345598 15.999 > 13 15 O 0.15469283361638 0.94065633563464 0.58714166345598 15.999 > 13 16 O 0.65469283361638 0.94065633563464 0.58714166345598 15.999 > 13 17 O 0.15469283361638 0.55934366436536 0.08714166345598 15.999 > 17 18 O 0.65469283361638 0.55934366436536 0.08714166345598 15.999 > 17 19 O 0.15469283361638 0.55934366436536 0.58714166345598 15.999 > 17 20 O 0.65469283361638 0.55934366436536 0.58714166345598 15.999 > 17 21 O 0.09530716638362 0.44065633563464 0.33714166345598 15.999 > 21 22 O 0.59530716638362 0.44065633563464 0.33714166345598 15.999 > 21 23 O 0.09530716638362 0.44065633563464 0.83714166345598 15.999 > 21 24 O 0.59530716638362 0.44065633563464 0.83714166345598 15.999 > 21 25 O 0.40469283361638 0.94065633563464 0.16285833654402 15.999 > 25 26 O 0.90469283361638 0.94065633563464 0.16285833654402 15.999 > 25 27 O 0.40469283361638 0.94065633563464 0.66285833654402 15.999 > 25 28 O 0.90469283361638 0.94065633563464 0.66285833654402 15.999 > 25 29 O 0.34530716638362 0.05934366436536 0.41285833654402 15.999 > 29 30 O 0.84530716638362 0.05934366436536 0.41285833654402 15.999 > 29 31 O 0.34530716638362 0.05934366436536 0.91285833654402 15.999 > 29 32 O 0.84530716638362 0.05934366436536 0.91285833654402 15.999 > 29 33 O 0.27426447319372 0.25000000000000 0.18404109984733 15.999 > 33 34 O 0.77426447319372 0.25000000000000 0.18404109984733 15.999 > 33 35 O 0.27426447319372 0.25000000000000 0.68404109984733 15.999 > 33 36 O 0.77426447319372 0.25000000000000 0.68404109984733 15.999 > 33 37 O 0.47573552680628 0.75000000000000 0.43404109984733 15.999 > 37 38 O 0.97573552680628 0.75000000000000 0.43404109984733 15.999 > 37 39 O 0.47573552680628 0.75000000000000 0.93404109984733 15.999 > 37 40 O 0.97573552680628 0.75000000000000 0.93404109984733 15.999 > 37 41 O 0.02426447319372 0.25000000000000 0.06595890015267 15.999 > 41 42 O 0.52426447319372 0.25000000000000 0.06595890015267 15.999 > 41 43 O 0.02426447319372 0.25000000000000 0.56595890015267 15.999 > 41 44 O 0.52426447319372 0.25000000000000 0.56595890015267 15.999 > 41 45 O 0.22573552680628 0.75000000000000 0.31595890015267 15.999 > 45 46 O 0.72573552680628 0.75000000000000 0.31595890015267 15.999 > 45 47 O 0.22573552680628 0.75000000000000 0.81595890015267 15.999 > 45 48 O 0.72573552680628 0.75000000000000 0.81595890015267 15.999 > 45 49 Rh 0.25000000000000 0.50000000000000 0.25000000000000 102.906 > 49 50 Rh 0.75000000000000 0.50000000000000 0.25000000000000 102.906 > 49 51 Rh 0.25000000000000 0.50000000000000 0.75000000000000 102.906 > 49 52 Rh 0.75000000000000 0.50000000000000 0.75000000000000 102.906 > 49 53 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 53 54 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 53 55 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 53 56 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 53 57 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 57 58 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 57 59 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 57 60 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 57 61 Rh 0.25000000000000 0.00000000000000 0.25000000000000 102.906 > 61 62 Rh 0.75000000000000 0.00000000000000 0.25000000000000 102.906 > 61 63 Rh 0.25000000000000 0.00000000000000 0.75000000000000 102.906 > 61 64 Rh 0.75000000000000 0.00000000000000 0.75000000000000 102.906 > 61 65 Tb 0.04359151447103 0.75000000000000 0.23330110345353 158.925 > 65 66 Tb 0.54359151447103 0.75000000000000 0.23330110345353 158.925 > 65 67 Tb 0.04359151447103 0.75000000000000 0.73330110345353 158.925 > 65 68 Tb 0.54359151447103 0.75000000000000 0.73330110345353 158.925 > 65 69 Tb 0.20640848552897 0.25000000000000 0.48330110345353 158.925 > 69 70 Tb 0.70640848552897 0.25000000000000 0.48330110345353 158.925 > 69 71 Tb 0.20640848552897 0.25000000000000 0.98330110345353 158.925 > 69 72 Tb 0.70640848552897 0.25000000000000 0.98330110345353 158.925 > 69 73 Tb 0.29359151447103 0.75000000000000 0.01669889654647 158.925 > 73 74 Tb 0.79359151447103 0.75000000000000 0.01669889654647 158.925 > 73 75 Tb 0.29359151447103 0.75000000000000 0.51669889654647 158.925 > 73 76 Tb 0.79359151447103 0.75000000000000 0.51669889654647 158.925 > 73 77 Tb 0.45640848552897 0.25000000000000 0.26669889654647 158.925 > 77 78 Tb 0.95640848552897 0.25000000000000 0.26669889654647 158.925 > 77 79 Tb 0.45640848552897 0.25000000000000 0.76669889654647 158.925 > 77 80 Tb 0.95640848552897 0.25000000000000 0.76669889654647 158.925 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.7371042 0.0000000 0.0000000 0.0000000 10.1853926 0.0000000 0.0000000 0.0000000 11.1021597 -------------------------- Born effective charges -------------------------- 1 O -2.3309276 -0.0655330 -0.6946632 0.0343756 -1.3932760 -0.1620723 -0.8489635 -0.3322327 -1.8779978 2 O -2.3309276 -0.0655330 0.6946632 0.0343756 -1.3932760 0.1620723 0.8489635 0.3322327 -1.8779978 3 O -2.3309276 0.0655330 0.6946632 -0.0343756 -1.3932760 -0.1620723 0.8489635 -0.3322327 -1.8779978 4 O -2.3309276 0.0655330 -0.6946632 -0.0343756 -1.3932760 0.1620723 -0.8489635 0.3322327 -1.8779978 5 O -2.3309276 -0.0655330 -0.6946632 0.0343756 -1.3932760 -0.1620723 -0.8489635 -0.3322327 -1.8779978 6 O -2.3309276 -0.0655330 0.6946632 0.0343756 -1.3932760 0.1620723 0.8489635 0.3322327 -1.8779978 7 O -2.3309276 0.0655330 0.6946632 -0.0343756 -1.3932760 -0.1620723 0.8489635 -0.3322327 -1.8779978 8 O -2.3309276 0.0655330 -0.6946632 -0.0343756 -1.3932760 0.1620723 -0.8489635 0.3322327 -1.8779978 9 O -1.1960680 0.0000000 -0.6303592 0.0000000 -2.7990127 0.0000000 -0.7323548 0.0000000 -1.4041130 10 O -1.1960680 0.0000000 0.6303592 0.0000000 -2.7990127 0.0000000 0.7323548 0.0000000 -1.4041130 11 O -1.1960680 0.0000000 0.6303592 0.0000000 -2.7990127 0.0000000 0.7323548 0.0000000 -1.4041130 12 O -1.1960680 0.0000000 -0.6303592 0.0000000 -2.7990127 0.0000000 -0.7323548 0.0000000 -1.4041130 13 Rh 1.5938028 -0.3202002 0.9235255 -0.7444160 1.5875720 0.9990005 -0.2773552 -0.4591595 0.8464662 14 Rh 1.5938028 -0.3202002 -0.9235255 -0.7444160 1.5875720 -0.9990005 0.2773552 0.4591595 0.8464662 15 Rh 1.5938028 0.3202002 -0.9235255 0.7444160 1.5875720 0.9990005 0.2773552 -0.4591595 0.8464662 16 Rh 1.5938028 0.3202002 0.9235255 0.7444160 1.5875720 -0.9990005 -0.2773552 0.4591595 0.8464662 17 Tb 4.2641205 0.0000000 0.0900192 0.0000000 3.9979926 0.0000000 0.2902385 0.0000000 4.3136424 18 Tb 4.2641205 0.0000000 -0.0900192 0.0000000 3.9979926 0.0000000 -0.2902385 0.0000000 4.3136424 19 Tb 4.2641205 0.0000000 -0.0900192 0.0000000 3.9979926 0.0000000 -0.2902385 0.0000000 4.3136424 20 Tb 4.2641205 0.0000000 0.0900192 0.0000000 3.9979926 0.0000000 0.2902385 0.0000000 4.3136424 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) 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 ... [ 9 7 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 307, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.515 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 0.000) 0.000 11.577 ( 0.000 0.000 0.000) 0.000 12.648 ( 0.000 0.000 0.000) 0.000 12.793 ( 0.000 0.000 0.000) 0.000 13.287 ( 0.000 0.000 0.000) 0.000 13.518 ( 0.000 0.000 0.000) 0.000 14.049 ( 0.000 0.000 0.000) 0.000 14.512 ( 0.000 0.000 0.000) 0.000 14.656 ( 0.000 0.000 0.000) 0.000 14.965 ( 0.000 0.000 0.000) 0.000 15.218 ( 0.000 0.000 0.000) 0.000 15.364 ( 0.000 0.000 0.000) 0.000 15.796 ( 0.000 0.000 0.000) 0.000 15.941 ( 0.000 0.000 0.000) 0.000 16.327 ( 0.000 0.000 0.000) 0.000 16.328 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 16.939 ( 0.000 0.000 0.000) 0.000 16.974 ( 0.000 0.000 0.000) 0.000 17.024 ( 0.000 0.000 0.000) 0.000 17.131 ( 0.000 0.000 0.000) 0.000 17.194 ( 0.000 0.000 0.000) 0.000 17.623 ( 0.000 0.000 0.000) 0.000 17.767 ( 0.000 0.000 0.000) 0.000 17.835 ( 0.000 0.000 0.000) 0.000 17.898 ( 0.000 0.000 0.000) 0.000 18.149 ( 0.000 0.000 0.000) 0.000 18.255 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 29.007 0.000 0.000) 29.007 0.707 ( 35.882 0.000 0.000) 35.882 1.234 ( 63.147 0.000 0.000) 63.147 1.960 ( 2.562 0.000 0.000) 2.562 2.955 ( 4.486 0.000 0.000) 4.486 3.128 ( -1.030 0.000 0.000) 1.030 3.351 ( -9.837 0.000 0.000) 9.837 3.434 ( 0.310 0.000 0.000) 0.310 3.689 ( -3.576 0.000 0.000) 3.576 3.963 ( 4.195 0.000 0.000) 4.195 4.083 ( 14.613 0.000 0.000) 14.613 4.235 ( -3.558 0.000 0.000) 3.558 4.480 ( 3.445 0.000 0.000) 3.445 4.608 ( 5.886 0.000 0.000) 5.886 4.756 ( -7.207 0.000 0.000) 7.207 4.894 ( 13.219 0.000 0.000) 13.219 5.101 ( -7.488 0.000 0.000) 7.488 5.609 ( -3.427 0.000 0.000) 3.427 6.536 ( -5.514 0.000 0.000) 5.514 6.876 ( -9.375 0.000 0.000) 9.375 7.018 ( 3.521 0.000 0.000) 3.521 7.294 ( -8.659 0.000 0.000) 8.659 7.462 ( -5.594 0.000 0.000) 5.594 7.471 ( -8.939 0.000 0.000) 8.939 7.492 ( 0.348 0.000 0.000) 0.348 7.825 ( 9.976 0.000 0.000) 9.976 7.847 ( -3.511 0.000 0.000) 3.511 8.085 ( -7.143 0.000 0.000) 7.143 8.172 ( 2.308 0.000 0.000) 2.308 8.206 ( -6.796 0.000 0.000) 6.796 9.467 ( 2.923 0.000 0.000) 2.923 9.585 ( 4.048 0.000 0.000) 4.048 10.383 ( 2.580 0.000 0.000) 2.580 11.525 ( -5.357 0.000 0.000) 5.357 12.779 ( -1.127 0.000 0.000) 1.127 12.797 ( 0.752 0.000 0.000) 0.752 13.476 ( 16.147 0.000 0.000) 16.147 13.481 ( -3.583 0.000 0.000) 3.583 14.079 ( 3.080 0.000 0.000) 3.080 14.545 ( 3.211 0.000 0.000) 3.211 14.664 ( 1.196 0.000 0.000) 1.196 14.966 ( -0.054 0.000 0.000) 0.054 15.102 ( -11.773 0.000 0.000) 11.773 15.751 ( -4.662 0.000 0.000) 4.662 15.765 ( -4.639 0.000 0.000) 4.639 15.974 ( 2.082 0.000 0.000) 2.082 16.280 ( -3.650 0.000 0.000) 3.650 16.327 ( 0.041 0.000 0.000) 0.041 16.646 ( 0.875 0.000 0.000) 0.875 16.899 ( -5.479 0.000 0.000) 5.479 16.956 ( 1.678 0.000 0.000) 1.678 17.074 ( 2.945 0.000 0.000) 2.945 17.113 ( -1.745 0.000 0.000) 1.745 17.191 ( -0.381 0.000 0.000) 0.381 17.643 ( 2.063 0.000 0.000) 2.063 17.767 ( -0.014 0.000 0.000) 0.014 17.825 ( -0.906 0.000 0.000) 0.906 18.153 ( 0.396 0.000 0.000) 0.396 18.246 ( -0.910 0.000 0.000) 0.910 18.789 ( -5.574 0.000 0.000) 5.574 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 29.263 0.000 0.000) 29.263 1.368 ( 32.501 0.000 0.000) 32.501 2.027 ( 4.292 0.000 0.000) 4.292 2.407 ( 57.665 0.000 0.000) 57.665 3.079 ( 8.116 0.000 0.000) 8.116 3.108 ( -1.051 0.000 0.000) 1.051 3.160 ( -9.030 0.000 0.000) 9.030 3.432 ( -0.422 0.000 0.000) 0.422 3.607 ( -4.703 0.000 0.000) 4.703 4.035 ( 2.093 0.000 0.000) 2.093 4.136 ( -6.576 0.000 0.000) 6.576 4.423 ( -7.572 0.000 0.000) 7.572 4.441 ( 14.275 0.000 0.000) 14.275 4.571 ( -4.361 0.000 0.000) 4.361 4.779 ( 8.246 0.000 0.000) 8.246 4.929 ( -5.562 0.000 0.000) 5.562 5.319 ( 27.709 0.000 0.000) 27.709 5.534 ( -3.433 0.000 0.000) 3.433 6.429 ( -4.736 0.000 0.000) 4.736 6.671 ( -11.264 0.000 0.000) 11.264 7.008 ( -14.483 0.000 0.000) 14.483 7.140 ( 2.316 0.000 0.000) 2.316 7.238 ( -15.008 0.000 0.000) 15.008 7.291 ( -12.719 0.000 0.000) 12.719 7.459 ( -4.529 0.000 0.000) 4.529 7.709 ( -11.129 0.000 0.000) 11.129 7.939 ( -6.747 0.000 0.000) 6.747 8.025 ( 10.024 0.000 0.000) 10.024 8.079 ( -4.967 0.000 0.000) 4.967 8.231 ( 3.621 0.000 0.000) 3.621 9.547 ( 5.077 0.000 0.000) 5.077 9.676 ( 4.883 0.000 0.000) 4.883 10.443 ( 3.704 0.000 0.000) 3.704 11.377 ( -9.836 0.000 0.000) 9.836 12.829 ( 6.071 0.000 0.000) 6.071 12.845 ( 4.915 0.000 0.000) 4.915 13.393 ( -5.102 0.000 0.000) 5.102 13.806 ( 16.598 0.000 0.000) 16.598 14.164 ( 5.470 0.000 0.000) 5.470 14.628 ( 5.116 0.000 0.000) 5.116 14.728 ( 6.214 0.000 0.000) 6.214 14.784 ( -20.312 0.000 0.000) 20.312 14.949 ( -2.110 0.000 0.000) 2.110 15.601 ( -11.367 0.000 0.000) 11.367 15.641 ( -7.875 0.000 0.000) 7.875 15.938 ( -6.534 0.000 0.000) 6.534 16.282 ( 5.160 0.000 0.000) 5.160 16.334 ( 0.832 0.000 0.000) 0.832 16.668 ( 1.246 0.000 0.000) 1.246 16.780 ( -6.740 0.000 0.000) 6.740 16.999 ( 2.566 0.000 0.000) 2.566 17.075 ( -1.919 0.000 0.000) 1.919 17.121 ( 1.928 0.000 0.000) 1.928 17.174 ( -1.512 0.000 0.000) 1.512 17.701 ( 3.961 0.000 0.000) 3.961 17.767 ( 0.037 0.000 0.000) 0.037 17.805 ( -1.086 0.000 0.000) 1.086 18.163 ( 0.551 0.000 0.000) 0.551 18.223 ( -1.371 0.000 0.000) 1.371 18.636 ( -9.991 0.000 0.000) 9.991 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 26.454 0.000 0.000) 26.454 1.952 ( 27.990 0.000 0.000) 27.990 2.118 ( 4.792 0.000 0.000) 4.792 3.027 ( -5.721 0.000 0.000) 5.721 3.029 ( -3.838 0.000 0.000) 3.838 3.257 ( 10.060 0.000 0.000) 10.060 3.382 ( 21.656 0.000 0.000) 21.656 3.498 ( 25.491 0.000 0.000) 25.491 3.502 ( -6.927 0.000 0.000) 6.927 3.990 ( -8.254 0.000 0.000) 8.254 4.015 ( -4.343 0.000 0.000) 4.343 4.219 ( -15.773 0.000 0.000) 15.773 4.242 ( -10.283 0.000 0.000) 10.283 4.645 ( -11.319 0.000 0.000) 11.319 5.003 ( 28.676 0.000 0.000) 28.676 5.190 ( 21.863 0.000 0.000) 21.863 5.529 ( 4.812 0.000 0.000) 4.812 5.864 ( 26.390 0.000 0.000) 26.390 6.375 ( -0.695 0.000 0.000) 0.695 6.453 ( -11.013 0.000 0.000) 11.013 6.622 ( -23.089 0.000 0.000) 23.089 6.919 ( -16.778 0.000 0.000) 16.778 6.934 ( -24.919 0.000 0.000) 24.919 7.221 ( 3.739 0.000 0.000) 3.739 7.302 ( -11.915 0.000 0.000) 11.915 7.483 ( -10.211 0.000 0.000) 10.211 7.858 ( -1.238 0.000 0.000) 1.238 8.012 ( -2.795 0.000 0.000) 2.795 8.193 ( 7.166 0.000 0.000) 7.166 8.297 ( 2.805 0.000 0.000) 2.805 9.651 ( 5.368 0.000 0.000) 5.368 9.755 ( 2.907 0.000 0.000) 2.907 10.536 ( 6.254 0.000 0.000) 6.254 11.158 ( -12.501 0.000 0.000) 12.501 12.978 ( 8.328 0.000 0.000) 8.328 13.009 ( 12.404 0.000 0.000) 12.404 13.297 ( -4.754 0.000 0.000) 4.754 14.098 ( 14.237 0.000 0.000) 14.237 14.199 ( -11.763 0.000 0.000) 11.763 14.436 ( -5.291 0.000 0.000) 5.291 14.722 ( 3.654 0.000 0.000) 3.654 14.874 ( -5.762 0.000 0.000) 5.762 14.913 ( 12.411 0.000 0.000) 12.411 15.329 ( -15.252 0.000 0.000) 15.252 15.478 ( -8.512 0.000 0.000) 8.512 15.768 ( -10.417 0.000 0.000) 10.417 16.363 ( 2.315 0.000 0.000) 2.315 16.431 ( 8.854 0.000 0.000) 8.854 16.647 ( -6.915 0.000 0.000) 6.915 16.687 ( 0.558 0.000 0.000) 0.558 17.045 ( -1.130 0.000 0.000) 1.130 17.051 ( 2.784 0.000 0.000) 2.784 17.130 ( -2.938 0.000 0.000) 2.938 17.145 ( 0.467 0.000 0.000) 0.467 17.768 ( 0.110 0.000 0.000) 0.110 17.787 ( -0.736 0.000 0.000) 0.736 17.802 ( 6.688 0.000 0.000) 6.688 18.173 ( 0.388 0.000 0.000) 0.388 18.198 ( -1.095 0.000 0.000) 1.095 18.417 ( -12.333 0.000 0.000) 12.333 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 13.950 0.000 0.000) 13.950 2.183 ( 0.660 0.000 0.000) 0.660 2.441 ( 22.640 0.000 0.000) 22.640 2.814 ( -15.695 0.000 0.000) 15.695 3.056 ( 7.800 0.000 0.000) 7.800 3.299 ( -14.178 0.000 0.000) 14.178 3.444 ( 8.239 0.000 0.000) 8.239 3.500 ( 3.142 0.000 0.000) 3.142 3.847 ( -4.550 0.000 0.000) 4.550 3.888 ( -7.208 0.000 0.000) 7.208 4.015 ( -3.623 0.000 0.000) 3.623 4.064 ( -7.206 0.000 0.000) 7.206 4.128 ( 23.869 0.000 0.000) 23.869 4.437 ( -11.174 0.000 0.000) 11.174 5.556 ( 27.784 0.000 0.000) 27.784 5.651 ( 25.111 0.000 0.000) 25.111 5.790 ( 22.567 0.000 0.000) 22.567 6.015 ( -16.609 0.000 0.000) 16.609 6.154 ( -24.642 0.000 0.000) 24.642 6.366 ( -31.986 0.000 0.000) 31.986 6.402 ( 3.323 0.000 0.000) 3.323 6.429 ( 6.939 0.000 0.000) 6.939 6.713 ( 2.586 0.000 0.000) 2.586 7.006 ( -18.309 0.000 0.000) 18.309 7.276 ( 2.475 0.000 0.000) 2.475 7.341 ( -4.891 0.000 0.000) 4.891 7.883 ( 3.130 0.000 0.000) 3.130 7.952 ( -3.554 0.000 0.000) 3.554 8.296 ( 3.460 0.000 0.000) 3.460 8.327 ( 0.135 0.000 0.000) 0.135 9.740 ( 3.593 0.000 0.000) 3.593 9.780 ( -0.405 0.000 0.000) 0.405 10.692 ( 9.970 0.000 0.000) 9.970 10.912 ( -12.546 0.000 0.000) 12.546 13.117 ( 5.853 0.000 0.000) 5.853 13.211 ( -4.306 0.000 0.000) 4.306 13.325 ( 20.281 0.000 0.000) 20.281 13.769 ( -24.917 0.000 0.000) 24.917 14.386 ( 16.057 0.000 0.000) 16.057 14.548 ( 9.470 0.000 0.000) 9.470 14.675 ( -10.901 0.000 0.000) 10.901 14.730 ( -8.912 0.000 0.000) 8.912 15.129 ( 5.736 0.000 0.000) 5.736 15.136 ( -1.962 0.000 0.000) 1.962 15.371 ( 1.273 0.000 0.000) 1.273 15.547 ( -12.192 0.000 0.000) 12.192 16.425 ( 4.134 0.000 0.000) 4.134 16.522 ( -5.872 0.000 0.000) 5.872 16.588 ( 6.792 0.000 0.000) 6.792 16.675 ( -2.258 0.000 0.000) 2.258 17.037 ( 0.551 0.000 0.000) 0.551 17.071 ( -2.822 0.000 0.000) 2.822 17.102 ( 2.391 0.000 0.000) 2.391 17.138 ( -1.204 0.000 0.000) 1.204 17.771 ( 0.189 0.000 0.000) 0.189 17.776 ( -0.373 0.000 0.000) 0.373 17.962 ( 9.921 0.000 0.000) 9.921 18.177 ( -12.194 0.000 0.000) 12.194 18.178 ( 0.206 0.000 0.000) 0.206 18.183 ( -0.468 0.000 0.000) 0.468 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 0.000 18.343 0.000) 18.343 0.603 ( 0.000 31.627 0.000) 31.627 1.125 ( 0.000 57.031 0.000) 57.031 1.941 ( 0.000 -0.746 0.000) 0.746 2.866 ( 0.000 -2.981 0.000) 2.981 3.041 ( 0.000 -10.344 0.000) 10.344 3.296 ( 0.000 -5.299 0.000) 5.299 3.542 ( 0.000 4.344 0.000) 4.344 3.696 ( 0.000 -3.677 0.000) 3.677 3.952 ( 0.000 3.570 0.000) 3.570 3.975 ( 0.000 3.833 0.000) 3.833 4.091 ( 0.000 -14.239 0.000) 14.239 4.545 ( 0.000 -0.797 0.000) 0.797 4.681 ( 0.000 9.027 0.000) 9.027 4.920 ( 0.000 5.268 0.000) 5.268 5.205 ( 0.000 -1.136 0.000) 1.136 5.217 ( 0.000 8.466 0.000) 8.466 5.393 ( 0.000 3.385 0.000) 3.385 6.587 ( 0.000 -0.958 0.000) 0.958 6.834 ( 0.000 -11.808 0.000) 11.808 7.140 ( 0.000 -20.938 0.000) 20.938 7.339 ( 0.000 -0.816 0.000) 0.816 7.417 ( 0.000 -2.245 0.000) 2.245 7.523 ( 0.000 -4.796 0.000) 4.796 7.693 ( 0.000 -0.758 0.000) 0.758 7.866 ( 0.000 -9.102 0.000) 9.102 8.118 ( 0.000 -2.915 0.000) 2.915 8.185 ( 0.000 16.532 0.000) 16.532 8.228 ( 0.000 1.259 0.000) 1.259 8.314 ( 0.000 10.878 0.000) 10.878 9.237 ( 0.000 -4.146 0.000) 4.146 9.533 ( 0.000 -1.315 0.000) 1.315 10.543 ( 0.000 18.620 0.000) 18.620 11.720 ( 0.000 14.512 0.000) 14.512 12.571 ( 0.000 -7.989 0.000) 7.989 12.821 ( 0.000 2.823 0.000) 2.823 13.268 ( 0.000 -2.004 0.000) 2.004 13.453 ( 0.000 -6.722 0.000) 6.722 14.084 ( 0.000 3.427 0.000) 3.427 14.499 ( 0.000 -1.470 0.000) 1.470 14.731 ( 0.000 7.904 0.000) 7.904 15.019 ( 0.000 3.332 0.000) 3.332 15.245 ( 0.000 2.902 0.000) 2.902 15.351 ( 0.000 -1.390 0.000) 1.390 15.797 ( 0.000 0.273 0.000) 0.273 15.917 ( 0.000 -2.507 0.000) 2.507 16.262 ( 0.000 -6.538 0.000) 6.538 16.382 ( 0.000 5.589 0.000) 5.589 16.526 ( 0.000 -11.332 0.000) 11.332 16.947 ( 0.000 0.636 0.000) 0.636 17.004 ( 0.000 0.825 0.000) 0.825 17.027 ( 0.000 0.235 0.000) 0.235 17.122 ( 0.000 -0.915 0.000) 0.915 17.210 ( 0.000 1.771 0.000) 1.771 17.537 ( 0.000 -8.385 0.000) 8.385 17.797 ( 0.000 3.076 0.000) 3.076 17.809 ( 0.000 -7.526 0.000) 7.526 18.154 ( 0.000 0.042 0.000) 0.042 18.354 ( 0.000 8.475 0.000) 8.475 19.048 ( 0.000 -2.650 0.000) 2.650 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 32.139 7.673 0.000) 33.042 0.963 ( 21.057 26.550 0.000) 33.886 1.575 ( 45.032 34.772 0.000) 56.895 1.975 ( 3.276 0.346 0.000) 3.294 2.907 ( 4.252 -3.575 0.000) 5.555 3.024 ( -1.414 -10.719 0.000) 10.811 3.243 ( -5.440 -4.783 0.000) 7.244 3.541 ( -0.217 5.727 0.000) 5.731 3.660 ( -3.312 -3.329 0.000) 4.695 4.000 ( 4.209 3.751 0.000) 5.638 4.103 ( -0.143 -10.874 0.000) 10.875 4.116 ( 13.913 2.982 0.000) 14.229 4.588 ( 4.698 -1.591 0.000) 4.960 4.796 ( 9.113 12.658 0.000) 15.597 4.842 ( -7.695 4.550 0.000) 8.940 5.042 ( -6.036 17.087 0.000) 18.122 5.160 ( -5.802 9.929 0.000) 11.500 5.449 ( 1.569 -11.116 0.000) 11.226 6.531 ( -4.914 -0.375 0.000) 4.929 6.879 ( 3.808 -11.147 0.000) 11.780 7.039 ( -22.795 6.622 0.000) 23.737 7.155 ( 0.715 -20.115 0.000) 20.128 7.274 ( -9.090 -1.679 0.000) 9.244 7.493 ( -3.341 -3.999 0.000) 5.211 7.512 ( -14.775 1.365 0.000) 14.837 7.758 ( 1.330 -5.411 0.000) 5.572 7.977 ( -9.703 2.981 0.000) 10.151 8.138 ( -7.785 -6.568 0.000) 10.186 8.263 ( -1.105 14.901 0.000) 14.941 8.310 ( 6.899 16.883 0.000) 18.238 9.384 ( 6.799 -7.283 0.000) 9.963 9.573 ( 3.805 -1.555 0.000) 4.111 10.561 ( 2.319 18.165 0.000) 18.312 11.669 ( -5.294 14.574 0.000) 15.506 12.652 ( 2.473 -10.651 0.000) 10.934 12.836 ( 2.038 3.111 0.000) 3.719 13.416 ( -3.646 -6.784 0.000) 7.702 13.424 ( 14.559 -4.695 0.000) 15.298 14.111 ( 2.826 3.185 0.000) 4.258 14.527 ( 2.674 -1.871 0.000) 3.264 14.739 ( 1.141 7.904 0.000) 7.986 15.007 ( -0.234 3.970 0.000) 3.976 15.141 ( -10.558 4.087 0.000) 11.321 15.557 ( 7.197 -12.395 0.000) 14.333 15.746 ( -4.985 -0.410 0.000) 5.002 15.958 ( 2.585 -1.651 0.000) 3.068 16.212 ( -3.742 -6.731 0.000) 7.701 16.374 ( -0.668 4.811 0.000) 4.857 16.537 ( 1.017 -11.106 0.000) 11.153 16.919 ( -5.471 1.747 0.000) 5.743 16.963 ( 1.466 0.447 0.000) 1.533 17.074 ( 2.143 -0.307 0.000) 2.165 17.098 ( -2.026 -1.327 0.000) 2.422 17.208 ( -0.197 1.891 0.000) 1.901 17.562 ( 2.400 -7.722 0.000) 8.087 17.795 ( -1.105 -5.543 0.000) 5.652 17.800 ( 0.343 3.263 0.000) 3.281 18.157 ( 0.374 0.029 0.000) 0.375 18.311 ( -3.087 7.596 0.000) 8.199 18.872 ( -10.964 3.578 0.000) 11.533 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 22.443 21.361 0.000) 30.984 1.401 ( 31.123 3.557 0.000) 31.326 2.056 ( 4.905 2.228 0.000) 5.388 2.555 ( 50.884 14.994 0.000) 53.047 2.993 ( -1.356 -10.249 0.000) 10.338 3.026 ( 7.960 -4.562 0.000) 9.174 3.133 ( -4.661 -0.519 0.000) 4.690 3.530 ( -0.781 6.624 0.000) 6.669 3.581 ( -4.756 -3.193 0.000) 5.728 4.051 ( -5.072 -6.667 0.000) 8.377 4.064 ( 1.161 3.225 0.000) 3.428 4.482 ( 23.076 2.091 0.000) 23.170 4.578 ( -12.631 0.988 0.000) 12.670 4.708 ( -12.400 24.029 0.000) 27.040 4.807 ( 11.895 0.518 0.000) 11.907 5.008 ( -9.031 12.059 0.000) 15.065 5.305 ( 24.841 -1.682 0.000) 24.898 5.466 ( 1.882 -5.399 0.000) 5.718 6.440 ( -3.724 1.385 0.000) 3.973 6.685 ( -14.243 1.572 0.000) 14.330 6.950 ( -5.752 -7.699 0.000) 9.610 7.061 ( -5.524 -6.349 0.000) 8.416 7.132 ( -3.995 -16.169 0.000) 16.655 7.228 ( -15.867 -1.013 0.000) 15.899 7.383 ( -8.499 -3.093 0.000) 9.045 7.721 ( -4.318 -11.845 0.000) 12.608 7.742 ( -15.097 0.128 0.000) 15.097 7.973 ( -7.777 -9.345 0.000) 12.158 8.306 ( 5.169 17.559 0.000) 18.304 8.432 ( 5.531 17.380 0.000) 18.239 9.500 ( 5.955 -4.795 0.000) 7.645 9.659 ( 4.604 -2.043 0.000) 5.037 10.620 ( 3.695 17.883 0.000) 18.261 11.522 ( -9.680 14.788 0.000) 17.675 12.706 ( 4.267 -9.281 0.000) 10.215 12.923 ( 7.478 4.591 0.000) 8.775 13.325 ( -5.419 -7.151 0.000) 8.973 13.735 ( 16.213 -7.093 0.000) 17.697 14.190 ( 5.158 2.582 0.000) 5.768 14.576 ( 0.446 -3.926 0.000) 3.951 14.786 ( 3.830 6.117 0.000) 7.217 14.871 ( -15.052 7.500 0.000) 16.817 15.001 ( -0.436 5.194 0.000) 5.212 15.566 ( -4.155 -6.562 0.000) 7.767 15.589 ( -11.883 -1.277 0.000) 11.952 15.926 ( -6.314 -1.268 0.000) 6.440 16.225 ( 5.969 -5.738 0.000) 8.280 16.366 ( 0.072 3.296 0.000) 3.297 16.562 ( 1.518 -10.609 0.000) 10.717 16.805 ( -6.333 2.442 0.000) 6.788 16.982 ( -0.237 -2.744 0.000) 2.754 17.074 ( 0.401 0.903 0.000) 0.988 17.101 ( 0.364 -1.757 0.000) 1.795 17.202 ( -0.307 2.564 0.000) 2.582 17.621 ( 3.522 -6.893 0.000) 7.741 17.774 ( -0.967 -4.244 0.000) 4.353 17.813 ( 1.076 3.773 0.000) 3.923 18.167 ( 0.590 0.050 0.000) 0.592 18.253 ( -2.948 4.209 0.000) 5.139 18.666 ( -11.013 1.990 0.000) 11.192 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 22.366 13.468 0.000) 26.108 1.960 ( 26.572 1.051 0.000) 26.593 2.159 ( 5.577 3.581 0.000) 6.628 2.886 ( -5.143 -10.143 0.000) 11.372 3.067 ( -1.917 1.531 0.000) 2.453 3.202 ( 9.935 -5.157 0.000) 11.193 3.417 ( 16.152 2.872 0.000) 16.405 3.469 ( -7.523 -3.761 0.000) 8.411 3.617 ( 24.731 10.179 0.000) 26.744 3.926 ( -7.212 -4.143 0.000) 8.317 4.021 ( -5.446 1.680 0.000) 5.699 4.287 ( -14.610 4.175 0.000) 15.195 4.465 ( -11.332 20.285 0.000) 23.236 4.784 ( -7.917 15.718 0.000) 17.599 5.007 ( 26.358 0.641 0.000) 26.366 5.165 ( 21.670 -2.508 0.000) 21.814 5.521 ( 7.834 -0.044 0.000) 7.834 5.848 ( 26.435 -1.904 0.000) 26.503 6.403 ( -0.011 3.090 0.000) 3.090 6.428 ( -13.363 -2.011 0.000) 13.514 6.612 ( -21.154 -1.637 0.000) 21.217 6.907 ( -16.449 -0.708 0.000) 16.464 6.926 ( -20.126 -2.324 0.000) 20.260 7.117 ( 3.663 -10.803 0.000) 11.408 7.192 ( -9.207 -9.214 0.000) 13.026 7.434 ( -15.552 -4.131 0.000) 16.091 7.654 ( -1.417 -14.889 0.000) 14.956 7.852 ( -5.181 -13.194 0.000) 14.174 8.421 ( 5.900 17.092 0.000) 18.082 8.517 ( 3.147 17.609 0.000) 17.888 9.615 ( 5.699 -3.850 0.000) 6.877 9.733 ( 2.661 -2.525 0.000) 3.668 10.710 ( 5.961 17.581 0.000) 18.564 11.308 ( -12.203 15.231 0.000) 19.517 12.824 ( 7.687 -10.742 0.000) 13.209 13.125 ( 13.203 6.665 0.000) 14.789 13.218 ( -5.586 -8.186 0.000) 9.910 14.033 ( 15.130 -6.724 0.000) 16.556 14.233 ( -9.949 3.319 0.000) 10.488 14.428 ( -4.407 -0.721 0.000) 4.466 14.759 ( 0.925 3.728 0.000) 3.841 14.832 ( -1.703 0.079 0.000) 1.705 15.034 ( 5.680 7.892 0.000) 9.724 15.306 ( -15.665 -2.380 0.000) 15.844 15.455 ( -6.143 -1.822 0.000) 6.407 15.772 ( -9.159 0.560 0.000) 9.176 16.372 ( 5.953 -3.035 0.000) 6.682 16.393 ( 4.937 0.131 0.000) 4.939 16.588 ( 0.760 -9.463 0.000) 9.494 16.680 ( -6.402 2.643 0.000) 6.926 16.963 ( -0.983 -5.856 0.000) 5.938 17.079 ( -2.619 -3.157 0.000) 4.102 17.108 ( 2.451 3.422 0.000) 4.209 17.198 ( -0.198 3.370 0.000) 3.376 17.690 ( 3.266 -6.302 0.000) 7.098 17.759 ( -0.571 -3.539 0.000) 3.585 17.853 ( 3.575 3.824 0.000) 5.235 18.179 ( 0.688 0.318 0.000) 0.758 18.197 ( -3.003 1.106 0.000) 3.201 18.446 ( -11.512 1.985 0.000) 11.682 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 11.697 8.214 0.000) 14.293 2.239 ( 2.214 5.018 0.000) 5.484 2.422 ( 20.405 -1.843 0.000) 20.488 2.735 ( -11.592 -7.114 0.000) 13.601 3.069 ( 4.763 1.205 0.000) 4.913 3.267 ( -12.921 -3.032 0.000) 13.272 3.388 ( 8.614 -5.382 0.000) 10.157 3.486 ( -0.543 -2.477 0.000) 2.536 3.819 ( -1.755 -0.456 0.000) 1.814 3.890 ( -7.034 1.669 0.000) 7.229 4.056 ( 5.835 1.328 0.000) 5.984 4.089 ( -4.614 4.642 0.000) 6.545 4.399 ( 8.957 23.622 0.000) 25.263 4.610 ( -9.706 18.677 0.000) 21.049 5.543 ( 27.281 -1.192 0.000) 27.307 5.619 ( 24.696 -2.925 0.000) 24.869 5.809 ( 20.793 2.187 0.000) 20.908 6.015 ( -14.799 0.106 0.000) 14.799 6.106 ( -22.342 -3.934 0.000) 22.686 6.379 ( -23.081 2.370 0.000) 23.202 6.464 ( -4.138 5.158 0.000) 6.613 6.467 ( 9.977 2.205 0.000) 10.218 6.682 ( -0.827 -2.265 0.000) 2.411 6.965 ( -17.195 -4.386 0.000) 17.745 7.160 ( 1.405 -11.694 0.000) 11.779 7.212 ( -5.686 -12.136 0.000) 13.402 7.678 ( 3.419 -16.079 0.000) 16.438 7.760 ( -4.604 -15.448 0.000) 16.119 8.514 ( 3.431 17.012 0.000) 17.355 8.548 ( -0.057 17.358 0.000) 17.358 9.709 ( 3.821 -3.369 0.000) 5.095 9.753 ( -0.631 -2.959 0.000) 3.026 10.858 ( 9.490 16.841 0.000) 19.331 11.069 ( -12.099 15.952 0.000) 20.021 12.979 ( 7.715 -11.747 0.000) 14.054 13.109 ( -5.911 -10.085 0.000) 11.690 13.429 ( 18.571 7.953 0.000) 20.203 13.837 ( -23.138 6.322 0.000) 23.986 14.337 ( 16.420 -5.431 0.000) 17.295 14.519 ( 5.131 -3.063 0.000) 5.976 14.691 ( -8.823 1.871 0.000) 9.019 14.730 ( -7.308 0.882 0.000) 7.361 15.115 ( -1.632 -2.225 0.000) 2.760 15.136 ( 0.862 -0.135 0.000) 0.873 15.409 ( 4.261 4.450 0.000) 6.161 15.579 ( -10.566 3.427 0.000) 11.108 16.445 ( 4.323 1.792 0.000) 4.680 16.531 ( 5.979 -5.687 0.000) 8.251 16.543 ( -5.446 1.025 0.000) 5.541 16.603 ( -1.844 -6.474 0.000) 6.732 16.963 ( 1.280 -5.874 0.000) 6.012 17.013 ( -3.608 -4.366 0.000) 5.664 17.154 ( 2.170 3.861 0.000) 4.429 17.187 ( -1.125 3.704 0.000) 3.871 17.734 ( 1.327 -4.354 0.000) 4.551 17.750 ( -0.515 -3.353 0.000) 3.392 17.964 ( 7.760 1.289 0.000) 7.866 18.117 ( -6.433 -1.253 0.000) 6.554 18.197 ( 1.377 1.296 0.000) 1.891 18.258 ( -6.397 3.173 0.000) 7.140 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.000 19.996 0.000) 19.996 1.196 ( 0.000 30.768 0.000) 30.768 1.827 ( 0.000 -12.372 0.000) 12.372 2.109 ( 0.000 44.419 0.000) 44.419 2.764 ( 0.000 -17.591 0.000) 17.591 2.892 ( 0.000 7.119 0.000) 7.119 3.216 ( 0.000 -3.077 0.000) 3.077 3.583 ( 0.000 -8.425 0.000) 8.425 3.590 ( 0.000 0.277 0.000) 0.277 3.812 ( 0.000 -14.100 0.000) 14.100 4.036 ( 0.000 4.685 0.000) 4.685 4.052 ( 0.000 3.708 0.000) 3.708 4.539 ( 0.000 0.774 0.000) 0.774 4.846 ( 0.000 8.206 0.000) 8.206 4.887 ( 0.000 -6.612 0.000) 6.612 5.171 ( 0.000 -2.633 0.000) 2.633 5.501 ( 0.000 8.360 0.000) 8.360 5.595 ( 0.000 27.874 0.000) 27.874 6.519 ( 0.000 -20.519 0.000) 20.519 6.577 ( 0.000 0.514 0.000) 0.514 6.778 ( 0.000 -16.683 0.000) 16.683 7.325 ( 0.000 -0.593 0.000) 0.593 7.342 ( 0.000 -14.854 0.000) 14.854 7.372 ( 0.000 -2.212 0.000) 2.212 7.671 ( 0.000 -1.411 0.000) 1.411 7.719 ( 0.000 -5.898 0.000) 5.898 8.057 ( 0.000 -2.994 0.000) 2.994 8.094 ( 0.000 -5.806 0.000) 5.806 8.530 ( 0.000 11.669 0.000) 11.669 8.645 ( 0.000 22.591 0.000) 22.591 9.124 ( 0.000 -7.614 0.000) 7.614 9.473 ( 0.000 -5.503 0.000) 5.503 10.994 ( 0.000 27.137 0.000) 27.137 12.089 ( 0.000 23.052 0.000) 23.052 12.348 ( 0.000 -15.517 0.000) 15.517 12.896 ( 0.000 4.897 0.000) 4.897 13.209 ( 0.000 -4.215 0.000) 4.215 13.266 ( 0.000 -13.017 0.000) 13.017 14.169 ( 0.000 5.303 0.000) 5.303 14.455 ( 0.000 -3.173 0.000) 3.173 14.949 ( 0.000 14.118 0.000) 14.118 15.112 ( 0.000 6.981 0.000) 6.981 15.311 ( 0.000 -2.778 0.000) 2.778 15.330 ( 0.000 6.147 0.000) 6.147 15.815 ( 0.000 1.813 0.000) 1.813 15.838 ( 0.000 -6.206 0.000) 6.206 16.106 ( 0.000 -8.896 0.000) 8.896 16.226 ( 0.000 -19.723 0.000) 19.723 16.529 ( 0.000 9.644 0.000) 9.644 16.955 ( 0.000 -0.030 0.000) 0.030 17.021 ( 0.000 0.780 0.000) 0.780 17.031 ( 0.000 0.194 0.000) 0.194 17.102 ( 0.000 -1.095 0.000) 1.095 17.265 ( 0.000 4.142 0.000) 4.142 17.337 ( 0.000 -11.816 0.000) 11.816 17.655 ( 0.000 -8.285 0.000) 8.285 17.876 ( 0.000 5.030 0.000) 5.030 18.136 ( 0.000 -2.092 0.000) 2.092 18.530 ( 0.000 9.531 0.000) 9.531 18.974 ( 0.000 -5.103 0.000) 5.103 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 24.656 13.700 0.000) 28.207 1.430 ( 18.466 24.041 0.000) 30.315 1.900 ( 6.880 -9.654 0.000) 11.855 2.323 ( 22.352 36.334 0.000) 42.659 2.762 ( 0.667 -14.137 0.000) 14.153 2.907 ( 1.776 5.278 0.000) 5.569 3.193 ( -2.084 -0.932 0.000) 2.283 3.551 ( -3.080 -8.285 0.000) 8.840 3.599 ( 0.400 -0.283 0.000) 0.490 3.874 ( 5.034 -11.721 0.000) 12.756 4.093 ( 4.951 5.598 0.000) 7.473 4.175 ( 12.317 2.796 0.000) 12.630 4.562 ( 2.908 -0.652 0.000) 2.980 4.819 ( -6.610 -5.398 0.000) 8.534 4.939 ( 10.195 5.617 0.000) 11.640 5.251 ( 6.292 -5.397 0.000) 8.289 5.405 ( -8.659 15.121 0.000) 17.424 5.546 ( -4.997 27.721 0.000) 28.168 6.539 ( -2.901 1.956 0.000) 3.499 6.564 ( 4.470 -20.718 0.000) 21.195 6.793 ( 0.778 -17.404 0.000) 17.421 7.129 ( -20.523 3.319 0.000) 20.789 7.241 ( -10.121 -1.698 0.000) 10.262 7.333 ( -0.989 -13.658 0.000) 13.694 7.499 ( -14.751 -1.576 0.000) 14.835 7.650 ( -4.840 -5.733 0.000) 7.503 7.963 ( -8.944 -2.246 0.000) 9.222 8.001 ( -9.490 -6.307 0.000) 11.394 8.548 ( 2.592 14.383 0.000) 14.615 8.699 ( 4.794 21.231 0.000) 21.766 9.225 ( 7.714 -9.244 0.000) 12.039 9.508 ( 3.381 -5.696 0.000) 6.624 11.012 ( 2.055 27.496 0.000) 27.573 12.039 ( -5.103 23.177 0.000) 23.732 12.397 ( 3.623 -16.427 0.000) 16.822 12.918 ( 2.809 5.419 0.000) 6.103 13.226 ( -3.922 -13.188 0.000) 13.759 13.314 ( 10.269 -6.722 0.000) 12.273 14.191 ( 2.263 4.989 0.000) 5.478 14.475 ( 1.800 -3.556 0.000) 3.986 14.949 ( 0.021 13.026 0.000) 13.026 15.113 ( 0.555 7.679 0.000) 7.699 15.254 ( -7.911 7.790 0.000) 11.103 15.391 ( 5.395 -5.821 0.000) 7.937 15.733 ( -6.241 -1.472 0.000) 6.413 15.912 ( 4.363 -3.099 0.000) 5.351 16.052 ( -4.316 -9.019 0.000) 9.998 16.243 ( 1.718 -19.208 0.000) 19.285 16.501 ( -2.486 8.306 0.000) 8.670 16.951 ( -1.652 -2.629 0.000) 3.105 16.959 ( -4.201 2.306 0.000) 4.793 17.061 ( 0.944 -1.036 0.000) 1.401 17.082 ( -0.143 0.303 0.000) 0.335 17.264 ( -0.030 4.108 0.000) 4.108 17.386 ( 4.106 -9.984 0.000) 10.795 17.653 ( -0.214 -8.301 0.000) 8.304 17.882 ( 0.564 5.086 0.000) 5.117 18.140 ( 0.400 -2.060 0.000) 2.098 18.482 ( -4.554 9.392 0.000) 10.437 18.874 ( -8.869 -2.717 0.000) 9.275 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 27.343 7.626 0.000) 28.387 1.767 ( 16.379 19.050 0.000) 25.123 2.057 ( 8.627 -3.647 0.000) 9.366 2.686 ( 3.670 -10.967 0.000) 11.565 2.972 ( 5.170 0.722 0.000) 5.221 3.012 ( 31.529 17.980 0.000) 36.296 3.148 ( -1.810 2.995 0.000) 3.500 3.474 ( -4.893 -8.169 0.000) 9.523 3.603 ( 0.912 0.754 0.000) 1.183 3.937 ( 0.518 -4.163 0.000) 4.195 4.157 ( -0.022 6.278 0.000) 6.278 4.476 ( 11.260 -2.339 0.000) 11.500 4.606 ( 1.509 1.668 0.000) 2.250 4.770 ( 10.198 -3.516 0.000) 10.787 5.129 ( -12.419 13.960 0.000) 18.685 5.256 ( 19.636 -2.461 0.000) 19.790 5.414 ( -8.168 28.022 0.000) 29.188 5.439 ( 9.274 7.159 0.000) 11.716 6.496 ( -1.177 5.043 0.000) 5.179 6.667 ( 3.443 -19.445 0.000) 19.748 6.737 ( -16.477 2.654 0.000) 16.690 6.789 ( -1.261 -18.498 0.000) 18.541 6.970 ( -16.983 -3.867 0.000) 17.418 7.210 ( -15.417 -0.383 0.000) 15.421 7.293 ( -3.990 -8.880 0.000) 9.735 7.513 ( -8.344 -10.165 0.000) 13.151 7.706 ( -17.876 -3.382 0.000) 18.194 7.777 ( -12.406 -8.825 0.000) 15.225 8.633 ( 5.822 16.492 0.000) 17.490 8.798 ( 4.902 19.759 0.000) 20.358 9.371 ( 7.236 -8.719 0.000) 11.330 9.585 ( 4.067 -6.138 0.000) 7.363 11.068 ( 3.555 27.591 0.000) 27.819 11.899 ( -9.227 23.600 0.000) 25.340 12.469 ( 4.166 -15.999 0.000) 16.532 13.027 ( 8.921 6.570 0.000) 11.079 13.125 ( -6.306 -13.913 0.000) 15.275 13.562 ( 14.541 -10.405 0.000) 17.881 14.255 ( 4.255 4.050 0.000) 5.874 14.500 ( -0.378 -4.007 0.000) 4.025 14.941 ( -1.216 9.189 0.000) 9.269 15.041 ( -12.831 10.199 0.000) 16.391 15.135 ( 1.569 8.329 0.000) 8.475 15.451 ( 0.813 -3.882 0.000) 3.966 15.547 ( -13.668 -3.508 0.000) 14.111 15.897 ( -4.718 -1.433 0.000) 4.931 16.086 ( 7.347 -8.117 0.000) 10.948 16.286 ( 2.561 -17.933 0.000) 18.115 16.455 ( -1.726 6.018 0.000) 6.260 16.866 ( -5.405 3.780 0.000) 6.596 16.887 ( -3.855 -6.705 0.000) 7.735 17.061 ( -1.073 -2.423 0.000) 2.649 17.120 ( 3.253 3.559 0.000) 4.822 17.266 ( 0.241 4.202 0.000) 4.208 17.470 ( 4.462 -8.363 0.000) 9.479 17.649 ( -0.095 -7.996 0.000) 7.997 17.900 ( 1.347 5.186 0.000) 5.358 18.151 ( 0.753 -1.921 0.000) 2.064 18.375 ( -6.070 7.661 0.000) 9.774 18.678 ( -11.023 -1.107 0.000) 11.078 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 23.101 3.200 0.000) 23.322 2.075 ( 15.356 12.590 0.000) 19.857 2.214 ( 7.581 1.192 0.000) 7.674 2.684 ( -2.543 -10.743 0.000) 11.040 3.105 ( 8.280 -3.694 0.000) 9.067 3.107 ( -1.307 2.928 0.000) 3.206 3.361 ( -7.020 -7.299 0.000) 10.127 3.422 ( 2.921 -3.811 0.000) 4.801 3.819 ( 22.410 10.077 0.000) 24.571 3.902 ( -3.039 2.425 0.000) 3.888 4.088 ( -6.197 5.005 0.000) 7.966 4.321 ( -12.103 -0.422 0.000) 12.110 4.916 ( -5.884 25.141 0.000) 25.820 4.999 ( 26.271 1.107 0.000) 26.294 5.107 ( 21.827 -3.185 0.000) 22.058 5.255 ( -7.851 29.214 0.000) 30.251 5.576 ( 12.638 7.105 0.000) 14.498 5.786 ( 25.930 -4.670 0.000) 26.347 6.398 ( -16.924 -0.915 0.000) 16.949 6.498 ( 1.315 6.981 0.000) 7.104 6.550 ( -19.777 -4.750 0.000) 20.339 6.745 ( -3.961 -16.065 0.000) 16.546 6.816 ( 1.624 -19.026 0.000) 19.095 6.921 ( -12.963 1.413 0.000) 13.040 7.105 ( -17.480 0.081 0.000) 17.481 7.339 ( -18.554 -6.083 0.000) 19.526 7.377 ( -4.662 -13.768 0.000) 14.536 7.551 ( -9.666 -17.424 0.000) 19.925 8.751 ( 5.978 17.086 0.000) 18.102 8.873 ( 2.627 18.890 0.000) 19.072 9.503 ( 6.337 -7.986 0.000) 10.195 9.648 ( 2.156 -6.635 0.000) 6.976 11.151 ( 5.389 27.344 0.000) 27.870 11.696 ( -11.425 24.389 0.000) 26.933 12.567 ( 6.148 -16.662 0.000) 17.760 12.993 ( -7.248 -15.386 0.000) 17.008 13.261 ( 15.032 7.920 0.000) 16.991 13.858 ( 16.215 -11.015 0.000) 19.602 14.307 ( -6.052 3.974 0.000) 7.240 14.415 ( -3.097 -0.603 0.000) 3.156 14.855 ( -5.225 6.190 0.000) 8.100 14.890 ( -4.299 5.456 0.000) 6.947 15.153 ( -0.572 2.739 0.000) 2.798 15.237 ( -16.369 -4.885 0.000) 17.083 15.463 ( 1.847 4.882 0.000) 5.220 15.801 ( -5.455 2.951 0.000) 6.202 16.239 ( 7.587 -8.964 0.000) 11.744 16.336 ( 2.463 -16.324 0.000) 16.509 16.452 ( 1.658 4.400 0.000) 4.702 16.752 ( -6.389 4.625 0.000) 7.888 16.830 ( -1.590 -7.732 0.000) 7.894 17.014 ( -3.747 -3.678 0.000) 5.250 17.185 ( 3.243 4.682 0.000) 5.696 17.272 ( 0.224 4.505 0.000) 4.511 17.553 ( 3.974 -7.707 0.000) 8.671 17.650 ( 0.064 -7.398 0.000) 7.398 17.939 ( 2.917 5.040 0.000) 5.823 18.170 ( 1.258 -1.520 0.000) 1.974 18.258 ( -5.994 4.864 0.000) 7.719 18.465 ( -10.623 -0.261 0.000) 10.626 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 7.552 6.360 0.000) 9.874 2.328 ( 5.410 3.377 0.000) 6.378 2.383 ( 14.234 -1.829 0.000) 14.351 2.590 ( -7.276 -7.270 0.000) 10.286 3.102 ( 1.629 2.351 0.000) 2.860 3.203 ( -7.849 -3.192 0.000) 8.473 3.271 ( 7.573 -6.091 0.000) 9.719 3.389 ( -4.163 -6.978 0.000) 8.125 3.869 ( 1.149 5.120 0.000) 5.247 3.955 ( -6.769 4.788 0.000) 8.291 4.082 ( 4.109 0.607 0.000) 4.154 4.142 ( -5.448 0.859 0.000) 5.515 4.960 ( 7.944 33.997 0.000) 34.912 5.111 ( -7.196 32.061 0.000) 32.859 5.519 ( 26.231 -1.153 0.000) 26.257 5.560 ( 24.699 -2.866 0.000) 24.865 5.878 ( 9.176 4.645 0.000) 10.285 6.031 ( -3.300 1.059 0.000) 3.466 6.036 ( -21.849 -1.884 0.000) 21.930 6.425 ( 19.944 -7.494 0.000) 21.306 6.463 ( -23.058 6.029 0.000) 23.833 6.563 ( 0.533 3.812 0.000) 3.849 6.690 ( -7.483 2.556 0.000) 7.908 6.816 ( -9.380 -11.550 0.000) 14.879 6.862 ( 0.407 -18.037 0.000) 18.042 6.972 ( -17.429 -10.256 0.000) 20.223 7.354 ( 1.903 -17.278 0.000) 17.382 7.421 ( -4.707 -19.763 0.000) 20.316 8.848 ( 3.858 17.549 0.000) 17.968 8.893 ( -0.630 18.177 0.000) 18.188 9.607 ( 4.268 -7.513 0.000) 8.641 9.660 ( -1.088 -7.097 0.000) 7.180 11.284 ( 8.506 26.575 0.000) 27.903 11.475 ( -11.073 25.471 0.000) 27.774 12.701 ( 7.553 -17.617 0.000) 19.168 12.849 ( -7.634 -17.080 0.000) 18.708 13.591 ( 19.008 9.113 0.000) 21.080 13.980 ( -20.694 8.299 0.000) 22.296 14.186 ( 17.284 -9.948 0.000) 19.943 14.433 ( -3.900 -5.927 0.000) 7.095 14.749 ( -4.849 4.280 0.000) 6.468 14.786 ( -5.690 4.896 0.000) 7.507 15.053 ( -0.932 -4.184 0.000) 4.287 15.103 ( -3.883 -3.305 0.000) 5.099 15.547 ( 6.388 9.876 0.000) 11.762 15.681 ( -6.964 7.426 0.000) 10.181 16.349 ( 3.394 -11.418 0.000) 11.912 16.371 ( 0.788 -14.297 0.000) 14.318 16.517 ( 4.814 3.965 0.000) 6.236 16.627 ( -6.350 4.551 0.000) 7.813 16.841 ( 2.812 -6.615 0.000) 7.188 16.925 ( -5.157 -4.913 0.000) 7.122 17.238 ( 2.226 5.029 0.000) 5.499 17.268 ( -0.804 4.877 0.000) 4.943 17.616 ( 2.456 -7.335 0.000) 7.735 17.646 ( -0.678 -7.072 0.000) 7.105 18.019 ( 5.514 4.067 0.000) 6.852 18.140 ( -6.465 3.149 0.000) 7.191 18.206 ( 2.722 -0.629 0.000) 2.793 18.292 ( -6.746 0.288 0.000) 6.752 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.000 21.501 0.000) 21.501 1.502 ( 0.000 -20.419 0.000) 20.419 1.765 ( 0.000 29.018 0.000) 29.018 2.279 ( 0.000 -23.843 0.000) 23.843 2.869 ( 0.000 25.126 0.000) 25.126 3.109 ( 0.000 14.130 0.000) 14.130 3.153 ( 0.000 -5.786 0.000) 5.786 3.377 ( 0.000 -13.123 0.000) 13.123 3.557 ( 0.000 -2.390 0.000) 2.390 3.596 ( 0.000 -7.522 0.000) 7.522 4.103 ( 0.000 1.870 0.000) 1.870 4.104 ( 0.000 1.577 0.000) 1.577 4.595 ( 0.000 5.469 0.000) 5.469 4.735 ( 0.000 -8.490 0.000) 8.490 4.990 ( 0.000 6.909 0.000) 6.909 5.102 ( 0.000 -4.733 0.000) 4.733 5.728 ( 0.000 16.010 0.000) 16.010 6.100 ( 0.000 -22.236 0.000) 22.236 6.140 ( 0.000 26.145 0.000) 26.145 6.500 ( 0.000 -13.911 0.000) 13.911 6.650 ( 0.000 9.246 0.000) 9.246 6.974 ( 0.000 -21.998 0.000) 21.998 7.322 ( 0.000 0.337 0.000) 0.337 7.338 ( 0.000 -1.380 0.000) 1.380 7.646 ( 0.000 -0.958 0.000) 0.958 7.649 ( 0.000 -1.633 0.000) 1.633 8.016 ( 0.000 -1.139 0.000) 1.139 8.021 ( 0.000 -1.857 0.000) 1.857 8.750 ( 0.000 11.370 0.000) 11.370 8.954 ( 0.000 -10.039 0.000) 10.039 9.032 ( 0.000 17.842 0.000) 17.842 9.312 ( 0.000 -11.609 0.000) 11.609 11.517 ( 0.000 26.958 0.000) 26.958 11.988 ( 0.000 -22.222 0.000) 22.222 12.545 ( 0.000 23.826 0.000) 23.826 12.959 ( 0.000 -19.286 0.000) 19.286 13.000 ( 0.000 5.938 0.000) 5.938 13.113 ( 0.000 -5.715 0.000) 5.715 14.276 ( 0.000 5.739 0.000) 5.739 14.378 ( 0.000 -4.869 0.000) 4.869 15.150 ( 0.000 6.337 0.000) 6.337 15.246 ( 0.000 -4.169 0.000) 4.169 15.376 ( 0.000 20.770 0.000) 20.770 15.480 ( 0.000 9.558 0.000) 9.558 15.676 ( 0.000 -10.360 0.000) 10.360 15.808 ( 0.000 -23.439 0.000) 23.439 15.868 ( 0.000 3.781 0.000) 3.781 15.960 ( 0.000 -6.146 0.000) 6.146 16.734 ( 0.000 11.371 0.000) 11.371 16.915 ( 0.000 -5.826 0.000) 5.826 17.031 ( 0.000 0.295 0.000) 0.295 17.033 ( 0.000 0.037 0.000) 0.037 17.088 ( 0.000 0.059 0.000) 0.059 17.140 ( 0.000 -6.959 0.000) 6.959 17.366 ( 0.000 6.392 0.000) 6.392 17.502 ( 0.000 -7.757 0.000) 7.757 17.978 ( 0.000 5.460 0.000) 5.460 18.074 ( 0.000 -4.358 0.000) 4.358 18.705 ( 0.000 8.738 0.000) 8.738 18.857 ( 0.000 -7.184 0.000) 7.184 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 17.704 17.520 0.000) 24.907 1.628 ( 12.047 -17.451 0.000) 21.205 1.888 ( 10.756 24.039 0.000) 26.336 2.325 ( 4.218 -21.150 0.000) 21.567 2.991 ( 12.042 20.869 0.000) 24.094 3.095 ( -1.240 13.003 0.000) 13.062 3.183 ( 2.353 -1.956 0.000) 3.060 3.348 ( -2.709 -12.730 0.000) 13.016 3.566 ( 1.864 0.257 0.000) 1.881 3.680 ( 8.102 -9.327 0.000) 12.355 4.185 ( 7.529 3.336 0.000) 8.235 4.209 ( 10.383 0.579 0.000) 10.399 4.585 ( -0.411 3.550 0.000) 3.573 4.692 ( -3.949 -7.000 0.000) 8.037 5.042 ( 5.486 5.357 0.000) 7.668 5.143 ( 3.304 -5.377 0.000) 6.311 5.731 ( 0.757 19.138 0.000) 19.153 6.087 ( -5.095 26.313 0.000) 26.802 6.137 ( 3.751 -23.075 0.000) 23.378 6.477 ( -2.407 -15.891 0.000) 16.073 6.656 ( 0.700 10.692 0.000) 10.715 6.984 ( 0.982 -21.160 0.000) 21.183 7.179 ( -15.381 2.058 0.000) 15.518 7.211 ( -11.927 -1.485 0.000) 12.019 7.491 ( -12.630 1.275 0.000) 12.694 7.549 ( -9.374 -4.555 0.000) 10.423 7.925 ( -9.179 -1.262 0.000) 9.265 7.929 ( -9.459 -1.605 0.000) 9.594 8.805 ( 5.191 12.807 0.000) 13.819 9.033 ( 6.778 -11.116 0.000) 13.020 9.070 ( 3.574 17.393 0.000) 17.757 9.346 ( 3.213 -11.564 0.000) 12.002 11.544 ( 2.631 27.498 0.000) 27.623 12.025 ( 3.306 -22.734 0.000) 22.973 12.498 ( -4.784 24.008 0.000) 24.480 12.916 ( -4.357 -19.498 0.000) 19.979 13.037 ( 4.142 7.017 0.000) 8.148 13.177 ( 6.572 -7.523 0.000) 9.990 14.292 ( 1.686 5.533 0.000) 5.784 14.393 ( 1.436 -4.953 0.000) 5.157 15.141 ( -1.122 6.803 0.000) 6.895 15.237 ( -0.910 -2.247 0.000) 2.424 15.433 ( -5.578 10.764 0.000) 12.123 15.433 ( 5.231 17.003 0.000) 17.789 15.637 ( -5.429 -9.374 0.000) 10.833 15.837 ( 2.908 -22.676 0.000) 22.861 15.874 ( 1.737 0.395 0.000) 1.782 15.922 ( -2.979 -4.381 0.000) 5.298 16.677 ( -4.771 9.804 0.000) 10.904 16.850 ( -5.597 -7.750 0.000) 9.560 17.001 ( -2.343 2.076 0.000) 3.130 17.036 ( -0.550 -1.567 0.000) 1.661 17.118 ( 3.727 3.471 0.000) 5.094 17.217 ( 5.534 -7.167 0.000) 9.055 17.363 ( -0.184 6.280 0.000) 6.282 17.498 ( -0.273 -7.795 0.000) 7.800 17.984 ( 0.581 5.438 0.000) 5.469 18.079 ( 0.495 -4.307 0.000) 4.335 18.651 ( -5.344 8.214 0.000) 9.799 18.788 ( -6.674 -6.110 0.000) 9.048 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 21.935 11.164 0.000) 24.612 1.908 ( 15.502 -11.039 0.000) 19.031 2.103 ( 10.608 16.892 0.000) 19.947 2.415 ( 4.560 -15.872 0.000) 16.514 3.076 ( -0.230 9.432 0.000) 9.435 3.185 ( 2.084 4.765 0.000) 5.201 3.259 ( 6.752 -0.172 0.000) 6.755 3.283 ( -3.780 -11.313 0.000) 11.928 3.689 ( 12.882 10.722 0.000) 16.760 3.864 ( 8.933 -5.694 0.000) 10.593 4.287 ( -0.330 6.990 0.000) 6.998 4.405 ( 2.087 -5.111 0.000) 5.520 4.642 ( 10.189 2.309 0.000) 10.447 4.698 ( 11.130 -3.590 0.000) 11.695 5.197 ( 4.149 0.676 0.000) 4.204 5.227 ( 13.531 -1.929 0.000) 13.667 5.775 ( 3.821 22.948 0.000) 23.264 5.966 ( -6.913 27.706 0.000) 28.556 6.232 ( 5.492 -24.534 0.000) 25.141 6.415 ( -3.681 -19.809 0.000) 20.148 6.679 ( 1.608 12.960 0.000) 13.059 6.815 ( -20.195 4.545 0.000) 20.700 6.897 ( -19.495 -4.027 0.000) 19.906 7.007 ( 1.181 -19.265 0.000) 19.301 7.234 ( -13.589 3.272 0.000) 13.978 7.340 ( -11.430 -7.737 0.000) 13.803 7.656 ( -18.361 -0.484 0.000) 18.367 7.682 ( -16.166 -2.747 0.000) 16.398 8.926 ( 6.900 14.361 0.000) 15.932 9.148 ( 4.035 16.702 0.000) 17.182 9.175 ( 7.543 -11.811 0.000) 14.014 9.418 ( 3.775 -11.556 0.000) 12.157 11.607 ( 3.730 28.050 0.000) 28.297 12.097 ( 4.073 -23.051 0.000) 23.408 12.367 ( -8.488 24.648 0.000) 26.069 12.799 ( -7.458 -20.303 0.000) 21.629 13.174 ( 10.299 8.911 0.000) 13.619 13.360 ( 12.228 -10.517 0.000) 16.129 14.337 ( 2.795 4.522 0.000) 5.316 14.422 ( 0.994 -4.320 0.000) 4.433 15.098 ( -3.401 7.060 0.000) 7.836 15.203 ( -2.920 -3.021 0.000) 4.202 15.247 ( -13.191 11.095 0.000) 17.237 15.438 ( -14.719 -8.266 0.000) 16.881 15.548 ( 6.238 15.301 0.000) 16.524 15.889 ( -0.061 1.102 0.000) 1.103 15.910 ( 4.400 -20.740 0.000) 21.202 15.951 ( 5.523 -5.458 0.000) 7.766 16.588 ( -3.764 7.819 0.000) 8.678 16.743 ( -4.854 -8.215 0.000) 9.542 16.941 ( -4.017 3.869 0.000) 5.577 17.008 ( -2.477 -3.182 0.000) 4.032 17.204 ( 4.602 5.282 0.000) 7.006 17.321 ( 5.091 -7.128 0.000) 8.760 17.364 ( 0.278 6.110 0.000) 6.116 17.496 ( 0.159 -7.753 0.000) 7.755 18.001 ( 1.266 5.327 0.000) 5.476 18.093 ( 1.017 -4.120 0.000) 4.244 18.516 ( -8.115 6.792 0.000) 10.582 18.624 ( -9.739 -4.414 0.000) 10.693 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 18.099 5.351 0.000) 18.873 2.182 ( 12.280 -4.324 0.000) 13.019 2.286 ( 8.271 10.306 0.000) 13.215 2.482 ( 1.982 -10.484 0.000) 10.670 3.101 ( 2.925 3.405 0.000) 4.489 3.183 ( -1.006 5.177 0.000) 5.274 3.213 ( -3.281 -7.615 0.000) 8.292 3.303 ( -1.080 -7.167 0.000) 7.248 3.958 ( 7.492 4.014 0.000) 8.500 3.970 ( 4.824 2.649 0.000) 5.504 4.192 ( -7.458 5.500 0.000) 9.267 4.281 ( -9.449 -3.614 0.000) 10.117 5.018 ( 24.230 1.243 0.000) 24.262 5.052 ( 22.692 -2.393 0.000) 22.818 5.346 ( 13.607 18.813 0.000) 23.218 5.617 ( 25.586 -9.724 0.000) 27.372 5.842 ( -5.583 30.318 0.000) 30.828 5.867 ( 5.877 19.608 0.000) 20.470 6.293 ( -3.173 -19.637 0.000) 19.892 6.351 ( -2.573 -22.898 0.000) 23.043 6.448 ( -17.028 -0.756 0.000) 17.045 6.509 ( -18.073 -7.010 0.000) 19.385 6.714 ( 1.916 13.764 0.000) 13.897 6.992 ( -10.646 5.840 0.000) 12.143 7.020 ( -0.432 -14.880 0.000) 14.887 7.146 ( -7.857 -10.335 0.000) 12.982 7.232 ( -24.980 0.272 0.000) 24.981 7.309 ( -22.201 -6.811 0.000) 23.222 9.057 ( 6.441 15.003 0.000) 16.327 9.209 ( 1.999 16.201 0.000) 16.324 9.314 ( 6.656 -11.860 0.000) 13.600 9.475 ( 1.838 -11.644 0.000) 11.788 11.690 ( 5.109 28.217 0.000) 28.676 12.183 ( -10.327 25.765 0.000) 27.758 12.186 ( 5.342 -23.469 0.000) 24.069 12.639 ( -8.917 -21.732 0.000) 23.490 13.431 ( 16.064 10.057 0.000) 18.953 13.639 ( 16.470 -11.627 0.000) 20.161 14.370 ( -2.967 2.511 0.000) 3.887 14.402 ( -2.301 -0.977 0.000) 2.500 14.986 ( -11.661 7.381 0.000) 13.800 15.011 ( -5.537 6.641 0.000) 8.647 15.122 ( -5.233 -4.657 0.000) 7.005 15.124 ( -15.583 -6.876 0.000) 17.033 15.667 ( 6.036 15.332 0.000) 16.477 15.894 ( -0.258 6.915 0.000) 6.919 15.997 ( 4.418 -18.551 0.000) 19.070 16.056 ( 4.604 -9.719 0.000) 10.754 16.553 ( 0.480 6.170 0.000) 6.189 16.683 ( -0.858 -7.497 0.000) 7.546 16.846 ( -5.794 5.057 0.000) 7.691 16.937 ( -4.865 -4.491 0.000) 6.620 17.286 ( 3.798 5.958 0.000) 7.065 17.372 ( 0.473 6.130 0.000) 6.149 17.410 ( 4.100 -7.140 0.000) 8.234 17.503 ( 0.436 -7.570 0.000) 7.582 18.036 ( 2.439 4.983 0.000) 5.548 18.120 ( 1.870 -3.684 0.000) 4.132 18.356 ( -8.161 4.931 0.000) 9.535 18.433 ( -9.597 -3.013 0.000) 10.059 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 9.436 0.297 0.000) 9.441 2.365 ( 6.738 -0.489 0.000) 6.756 2.400 ( 2.627 3.498 0.000) 4.375 2.475 ( -2.954 -4.850 0.000) 5.679 3.162 ( -0.876 4.085 0.000) 4.178 3.163 ( -0.674 -0.715 0.000) 0.982 3.183 ( 3.986 -2.887 0.000) 4.921 3.259 ( -3.161 -6.153 0.000) 6.918 3.979 ( 1.295 5.643 0.000) 5.790 4.052 ( -6.213 4.873 0.000) 7.896 4.062 ( 1.968 -2.815 0.000) 3.434 4.125 ( -5.760 -2.551 0.000) 6.300 5.503 ( 24.930 0.160 0.000) 24.930 5.517 ( 24.828 -1.446 0.000) 24.870 5.625 ( 10.195 34.281 0.000) 35.765 5.754 ( -3.659 33.157 0.000) 33.358 5.947 ( -14.262 2.335 0.000) 14.452 5.983 ( -20.213 -2.229 0.000) 20.336 6.137 ( 23.266 1.260 0.000) 23.300 6.193 ( 10.083 -11.252 0.000) 15.109 6.318 ( -1.329 -24.471 0.000) 24.507 6.432 ( 5.471 -19.569 0.000) 20.319 6.652 ( -24.823 9.459 0.000) 26.564 6.775 ( -7.311 5.732 0.000) 9.290 6.824 ( -20.814 -4.944 0.000) 21.393 6.842 ( -5.073 8.620 0.000) 10.002 7.046 ( -0.851 -18.319 0.000) 18.338 7.054 ( -1.939 -13.712 0.000) 13.849 9.164 ( 4.352 15.388 0.000) 15.992 9.218 ( -1.201 15.784 0.000) 15.829 9.423 ( 4.520 -11.807 0.000) 12.642 9.481 ( -1.363 -11.742 0.000) 11.821 11.812 ( 7.698 27.913 0.000) 28.955 11.984 ( -9.933 27.018 0.000) 28.786 12.308 ( 7.365 -23.774 0.000) 24.889 12.466 ( -8.818 -23.172 0.000) 24.793 13.776 ( 19.229 10.368 0.000) 21.846 13.982 ( 18.529 -11.130 0.000) 21.615 14.142 ( -17.501 8.603 0.000) 19.501 14.300 ( -12.070 -7.878 0.000) 14.414 14.848 ( -1.857 5.842 0.000) 6.130 14.899 ( -5.392 6.530 0.000) 8.468 14.959 ( -0.693 -5.598 0.000) 5.640 15.017 ( -5.119 -5.582 0.000) 7.574 15.777 ( 5.254 14.208 0.000) 15.149 15.861 ( -3.226 11.481 0.000) 11.926 16.072 ( 3.099 -16.372 0.000) 16.663 16.104 ( 0.182 -13.604 0.000) 13.605 16.608 ( 4.928 5.424 0.000) 7.328 16.719 ( 4.330 -6.191 0.000) 7.555 16.724 ( -6.584 5.443 0.000) 8.542 16.827 ( -6.219 -5.355 0.000) 8.207 17.346 ( 2.334 6.273 0.000) 6.693 17.373 ( -0.570 6.277 0.000) 6.303 17.475 ( 2.508 -7.295 0.000) 7.714 17.504 ( -0.578 -7.413 0.000) 7.436 18.101 ( 4.516 4.265 0.000) 6.212 18.171 ( 3.698 -2.901 0.000) 4.701 18.211 ( -6.752 3.810 0.000) 7.753 18.271 ( -6.872 -2.317 0.000) 7.252 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 0.000 0.000 19.164) 19.164 0.718 ( 0.000 0.000 36.334) 36.334 1.057 ( 0.000 0.000 53.902) 53.902 2.019 ( 0.000 0.000 8.250) 8.250 2.870 ( 0.000 0.000 -3.906) 3.906 3.164 ( 0.000 0.000 2.420) 2.420 3.289 ( 0.000 0.000 -15.481) 15.481 3.413 ( 0.000 0.000 3.444) 3.444 3.688 ( 0.000 0.000 -4.092) 4.092 3.946 ( 0.000 0.000 -4.637) 4.637 4.088 ( 0.000 0.000 13.535) 13.535 4.220 ( 0.000 0.000 -4.918) 4.918 4.428 ( 0.000 0.000 2.881) 2.881 4.855 ( 0.000 0.000 6.405) 6.405 4.868 ( 0.000 0.000 3.776) 3.776 5.114 ( 0.000 0.000 -4.925) 4.925 5.303 ( 0.000 0.000 7.443) 7.443 5.340 ( 0.000 0.000 -2.868) 2.868 6.526 ( 0.000 0.000 -6.683) 6.683 6.916 ( 0.000 0.000 -5.585) 5.585 6.985 ( 0.000 0.000 3.265) 3.265 7.287 ( 0.000 0.000 -6.086) 6.086 7.454 ( 0.000 0.000 -6.058) 6.058 7.607 ( 0.000 0.000 5.710) 5.710 7.612 ( 0.000 0.000 -1.967) 1.967 7.718 ( 0.000 0.000 0.907) 0.907 7.762 ( 0.000 0.000 -17.858) 17.858 8.135 ( 0.000 0.000 -0.994) 0.994 8.184 ( 0.000 0.000 -2.918) 2.918 8.605 ( 0.000 0.000 20.737) 20.737 9.098 ( 0.000 0.000 -14.851) 14.851 9.620 ( 0.000 0.000 4.897) 4.897 10.387 ( 0.000 0.000 3.375) 3.375 11.556 ( 0.000 0.000 -2.276) 2.276 12.671 ( 0.000 0.000 2.398) 2.398 12.807 ( 0.000 0.000 1.550) 1.550 13.297 ( 0.000 0.000 1.218) 1.218 13.606 ( 0.000 0.000 -3.086) 3.086 14.066 ( 0.000 0.000 1.721) 1.721 14.555 ( 0.000 0.000 4.022) 4.022 14.699 ( 0.000 0.000 4.389) 4.389 14.914 ( 0.000 0.000 -5.371) 5.371 15.180 ( 0.000 0.000 -3.845) 3.845 15.263 ( 0.000 0.000 -9.037) 9.037 15.818 ( 0.000 0.000 1.302) 1.302 16.016 ( 0.000 0.000 1.851) 1.851 16.329 ( 0.000 0.000 0.243) 0.243 16.484 ( 0.000 0.000 -1.923) 1.923 16.694 ( 0.000 0.000 5.647) 5.647 16.810 ( 0.000 0.000 -7.751) 7.751 17.050 ( 0.000 0.000 2.562) 2.562 17.080 ( 0.000 0.000 5.524) 5.524 17.112 ( 0.000 0.000 -1.918) 1.918 17.195 ( 0.000 0.000 0.155) 0.155 17.767 ( 0.000 0.000 -0.037) 0.037 17.824 ( 0.000 0.000 -1.026) 1.026 17.866 ( 0.000 0.000 -3.216) 3.216 18.159 ( 0.000 0.000 0.917) 0.917 18.250 ( 0.000 0.000 -0.546) 0.546 18.514 ( 0.000 0.000 -4.421) 4.421 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 24.479 0.000 11.228) 26.931 0.687 ( 21.434 0.000 14.376) 25.808 1.760 ( 47.610 0.000 39.035) 61.567 2.034 ( 1.612 0.000 7.358) 7.533 2.900 ( 2.924 0.000 -5.222) 5.985 3.135 ( -0.638 0.000 2.382) 2.466 3.225 ( -6.375 0.000 -12.013) 13.600 3.436 ( 0.526 0.000 0.937) 1.074 3.664 ( -2.832 0.000 -3.101) 4.200 3.980 ( 3.489 0.000 -1.214) 3.694 4.094 ( 5.400 0.000 2.703) 6.038 4.182 ( -3.889 0.000 -5.031) 6.359 4.502 ( 0.835 0.000 0.802) 1.158 4.755 ( -12.982 0.000 8.624) 15.586 4.786 ( -7.163 0.000 2.806) 7.693 5.028 ( 18.336 0.000 13.332) 22.670 5.067 ( -6.861 0.000 -3.211) 7.575 5.654 ( 4.443 0.000 3.395) 5.592 6.461 ( -5.868 0.000 -6.914) 9.068 6.838 ( -7.717 0.000 -3.925) 8.658 7.033 ( 3.128 0.000 1.185) 3.344 7.220 ( -7.179 0.000 -5.996) 9.354 7.385 ( -7.356 0.000 -7.270) 10.342 7.496 ( -9.934 0.000 -1.525) 10.050 7.531 ( -4.795 0.000 1.233) 4.951 7.728 ( -0.721 0.000 -9.015) 9.044 7.853 ( 10.509 0.000 3.420) 11.052 8.062 ( -9.664 0.000 -1.451) 9.772 8.177 ( 3.747 0.000 0.455) 3.775 8.387 ( -13.237 0.000 12.146) 17.965 9.288 ( 10.847 0.000 -9.544) 14.447 9.689 ( 4.198 0.000 4.675) 6.283 10.405 ( 2.006 0.000 2.693) 3.358 11.510 ( -4.937 0.000 -1.743) 5.236 12.744 ( 3.666 0.000 -0.781) 3.748 12.803 ( 0.043 0.000 0.823) 0.824 13.424 ( 6.861 0.000 -0.990) 6.932 13.543 ( 2.009 0.000 0.474) 2.064 14.110 ( 4.483 0.000 3.176) 5.494 14.583 ( 2.645 0.000 3.773) 4.608 14.696 ( 0.097 0.000 3.152) 3.153 14.851 ( -7.603 0.000 -10.074) 12.621 15.130 ( -3.993 0.000 1.068) 4.133 15.395 ( 4.841 0.000 -17.529) 18.185 15.823 ( 0.078 0.000 0.569) 0.575 16.042 ( -1.820 0.000 1.166) 2.161 16.327 ( -7.433 0.000 2.951) 7.998 16.329 ( 0.082 0.000 0.276) 0.288 16.702 ( 0.773 0.000 5.598) 5.651 16.817 ( 0.196 0.000 -6.117) 6.120 17.001 ( -2.757 0.000 3.198) 4.222 17.119 ( 2.137 0.000 3.674) 4.250 17.131 ( -0.300 0.000 -0.137) 0.330 17.200 ( 0.501 0.000 0.792) 0.937 17.691 ( -6.201 0.000 2.027) 6.524 17.766 ( -0.095 0.000 -0.119) 0.153 17.819 ( -0.488 0.000 -0.597) 0.771 18.161 ( 0.246 0.000 0.770) 0.808 18.241 ( -0.866 0.000 -0.506) 1.003 18.642 ( 1.998 0.000 -10.588) 10.775 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 27.923 0.000 7.192) 28.834 1.288 ( 34.195 0.000 -3.196) 34.344 2.082 ( 3.357 0.000 5.627) 6.552 2.675 ( 42.918 0.000 21.100) 47.824 2.982 ( 7.464 0.000 -4.114) 8.523 3.081 ( -7.378 0.000 -7.752) 10.702 3.169 ( 3.948 0.000 3.138) 5.043 3.423 ( -0.792 0.000 -0.558) 0.969 3.584 ( -5.098 0.000 -2.597) 5.721 4.046 ( 0.015 0.000 -1.530) 1.530 4.084 ( -4.036 0.000 -2.855) 4.943 4.312 ( 10.277 0.000 -7.720) 12.853 4.441 ( -1.710 0.000 -1.723) 2.428 4.589 ( -11.081 0.000 2.215) 11.300 4.711 ( 3.444 0.000 -4.529) 5.690 4.914 ( -6.440 0.000 -1.425) 6.596 5.503 ( 27.994 0.000 16.273) 32.380 5.672 ( 0.005 0.000 10.693) 10.693 6.344 ( -5.381 0.000 -7.230) 9.013 6.653 ( -10.540 0.000 -2.690) 10.878 6.928 ( -16.079 0.000 -7.940) 17.932 7.145 ( -16.520 0.000 -9.948) 19.284 7.147 ( -0.321 0.000 -0.016) 0.322 7.301 ( -8.941 0.000 0.902) 8.986 7.462 ( -3.950 0.000 0.642) 4.002 7.676 ( -7.014 0.000 -3.416) 7.802 7.876 ( -7.214 0.000 -3.104) 7.854 8.059 ( 10.101 0.000 3.565) 10.711 8.152 ( -10.385 0.000 3.584) 10.986 8.258 ( 4.285 0.000 2.220) 4.826 9.483 ( 9.461 0.000 -2.743) 9.850 9.761 ( 3.308 0.000 5.313) 6.259 10.460 ( 3.687 0.000 1.988) 4.189 11.371 ( -9.346 0.000 -0.739) 9.376 12.832 ( 3.688 0.000 -1.017) 3.825 12.835 ( 6.562 0.000 0.879) 6.621 13.374 ( -5.200 0.000 -1.785) 5.498 13.805 ( 16.388 0.000 -0.584) 16.398 14.225 ( 6.541 0.000 5.870) 8.788 14.600 ( -17.217 0.000 -13.751) 22.035 14.646 ( 3.835 0.000 1.528) 4.128 14.728 ( 3.779 0.000 0.591) 3.825 15.061 ( -3.429 0.000 6.447) 7.302 15.395 ( -3.683 0.000 -12.751) 13.273 15.740 ( -11.301 0.000 3.342) 11.785 15.917 ( -5.853 0.000 -2.178) 6.245 16.338 ( 1.036 0.000 0.518) 1.158 16.340 ( 5.830 0.000 5.261) 7.853 16.720 ( 0.971 0.000 5.292) 5.380 16.783 ( -4.112 0.000 -0.210) 4.117 16.982 ( 1.164 0.000 -0.618) 1.317 17.107 ( -1.574 0.000 2.257) 2.752 17.151 ( 1.041 0.000 2.346) 2.567 17.192 ( -1.517 0.000 2.005) 2.514 17.666 ( 2.317 0.000 -3.261) 4.001 17.764 ( -0.009 0.000 -0.229) 0.230 17.807 ( -0.700 0.000 0.193) 0.726 18.168 ( 0.380 0.000 0.456) 0.594 18.219 ( -1.290 0.000 -0.386) 1.347 18.571 ( -7.815 0.000 -6.305) 10.041 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 25.572 0.000 5.274) 26.110 1.908 ( 29.537 0.000 -3.031) 29.692 2.157 ( 4.052 0.000 4.029) 5.714 2.941 ( -2.459 0.000 -7.509) 7.902 2.977 ( -2.473 0.000 -5.073) 5.644 3.241 ( 4.575 0.000 -2.628) 5.276 3.387 ( 8.181 0.000 0.051) 8.181 3.471 ( -7.102 0.000 -3.176) 7.780 3.639 ( 31.875 0.000 14.020) 34.822 3.912 ( -8.585 0.000 -7.023) 11.092 4.073 ( -1.223 0.000 5.075) 5.221 4.202 ( -11.145 0.000 -2.451) 11.411 4.258 ( -14.504 0.000 2.161) 14.665 4.644 ( -8.060 0.000 -0.356) 8.067 4.854 ( 26.680 0.000 -12.348) 29.399 5.033 ( 16.406 0.000 -9.875) 19.149 5.727 ( 7.282 0.000 13.948) 15.734 5.994 ( 16.781 0.000 7.284) 18.293 6.292 ( 3.204 0.000 -1.712) 3.633 6.459 ( -8.562 0.000 -2.671) 8.969 6.538 ( -23.551 0.000 -8.040) 24.886 6.803 ( -17.146 0.000 -11.823) 20.827 6.911 ( -21.434 0.000 -2.514) 21.581 7.279 ( 2.198 0.000 5.380) 5.812 7.333 ( -9.959 0.000 3.266) 10.481 7.486 ( -9.632 0.000 -0.173) 9.634 7.812 ( -0.479 0.000 -3.671) 3.703 8.004 ( -5.309 0.000 -1.653) 5.560 8.227 ( 7.159 0.000 3.368) 7.912 8.330 ( 2.939 0.000 3.012) 4.208 9.648 ( 7.521 0.000 1.029) 7.591 9.812 ( 1.830 0.000 4.698) 5.042 10.554 ( 6.338 0.000 1.927) 6.624 11.162 ( -11.997 0.000 0.295) 12.000 12.968 ( 10.797 0.000 -3.567) 11.371 12.984 ( 8.024 0.000 0.613) 8.047 13.279 ( -4.437 0.000 -1.591) 4.714 14.091 ( 13.506 0.000 -1.103) 13.551 14.119 ( -21.602 0.000 -9.874) 23.752 14.462 ( 7.679 0.000 6.034) 9.766 14.718 ( 1.875 0.000 -4.226) 4.623 14.835 ( 6.895 0.000 -1.946) 7.164 14.977 ( -5.668 0.000 8.160) 9.936 15.283 ( -7.316 0.000 -7.209) 10.270 15.494 ( -10.142 0.000 4.579) 11.128 15.804 ( -7.334 0.000 1.688) 7.526 16.373 ( 2.728 0.000 1.132) 2.953 16.483 ( 8.319 0.000 5.125) 9.770 16.675 ( -6.475 0.000 2.792) 7.051 16.734 ( 0.303 0.000 4.765) 4.775 17.028 ( 3.047 0.000 -1.968) 3.627 17.080 ( -1.194 0.000 3.326) 3.534 17.146 ( -3.028 0.000 1.752) 3.498 17.157 ( -0.384 0.000 0.938) 1.013 17.756 ( 6.843 0.000 -4.405) 8.138 17.766 ( 0.217 0.000 -0.147) 0.262 17.794 ( -0.650 0.000 0.622) 0.900 18.174 ( 0.267 0.000 0.172) 0.318 18.196 ( -1.012 0.000 -0.228) 1.037 18.378 ( -11.610 0.000 -4.067) 12.302 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 13.104 0.000 3.529) 13.570 2.212 ( 0.454 0.000 2.959) 2.994 2.412 ( 22.605 0.000 -2.286) 22.720 2.771 ( -14.378 0.000 -3.709) 14.849 3.028 ( 8.770 0.000 -2.787) 9.202 3.274 ( -13.605 0.000 -2.550) 13.842 3.361 ( 7.919 0.000 -8.593) 11.685 3.475 ( -0.708 0.000 -3.909) 3.973 3.791 ( -0.517 0.000 -3.396) 3.435 3.883 ( -5.914 0.000 1.314) 6.058 4.018 ( -4.426 0.000 0.125) 4.428 4.054 ( -6.963 0.000 -0.636) 6.992 4.263 ( 17.385 0.000 10.967) 20.555 4.494 ( -8.185 0.000 4.965) 9.573 5.396 ( 28.321 0.000 -13.983) 31.585 5.459 ( 27.487 0.000 -11.855) 29.935 5.888 ( -20.556 0.000 -11.734) 23.669 5.967 ( 7.105 0.000 7.425) 10.276 6.047 ( -16.959 0.000 -5.521) 17.835 6.371 ( 1.522 0.000 -5.105) 5.327 6.435 ( -25.755 0.000 4.647) 26.171 6.455 ( -4.380 0.000 -3.244) 5.450 6.710 ( 16.699 0.000 4.728) 17.355 7.072 ( -17.031 0.000 6.644) 18.281 7.308 ( 1.210 0.000 2.940) 3.179 7.353 ( -4.188 0.000 0.929) 4.290 7.844 ( 3.332 0.000 -3.594) 4.901 7.919 ( -4.100 0.000 -3.328) 5.280 8.330 ( 3.490 0.000 3.283) 4.792 8.362 ( 0.121 0.000 3.245) 3.248 9.766 ( 4.597 0.000 2.973) 5.475 9.821 ( -1.109 0.000 3.969) 4.121 10.710 ( 9.818 0.000 1.755) 9.974 10.925 ( -12.163 0.000 1.189) 12.221 13.116 ( 5.483 0.000 -0.063) 5.483 13.202 ( -3.856 0.000 -0.843) 3.947 13.252 ( 18.521 0.000 -6.567) 19.651 13.664 ( -23.566 0.000 -9.496) 25.408 14.355 ( 14.402 0.000 -3.606) 14.847 14.624 ( -11.682 0.000 -6.879) 13.557 14.650 ( 10.380 0.000 9.653) 14.175 14.838 ( -8.721 0.000 9.437) 12.850 14.981 ( 7.980 0.000 -3.930) 8.896 15.136 ( -7.928 0.000 -4.781) 9.258 15.454 ( 5.881 0.000 7.177) 9.279 15.630 ( -10.257 0.000 5.144) 11.475 16.445 ( 4.661 0.000 2.064) 5.097 16.551 ( -6.204 0.000 2.914) 6.854 16.633 ( 6.563 0.000 4.480) 7.946 16.719 ( -2.316 0.000 4.417) 4.988 17.066 ( 0.012 0.000 3.000) 3.000 17.088 ( 2.930 0.000 -1.370) 3.235 17.089 ( -2.417 0.000 1.998) 3.136 17.135 ( -1.896 0.000 -0.349) 1.928 17.773 ( 0.428 0.000 0.170) 0.461 17.782 ( -0.552 0.000 0.532) 0.767 17.923 ( 10.355 0.000 -3.801) 11.030 18.144 ( -12.216 0.000 -3.405) 12.681 18.178 ( 0.140 0.000 -0.005) 0.140 18.182 ( -0.411 0.000 -0.098) 0.423 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.000 19.212 25.815) 32.180 0.935 ( 0.000 20.093 27.603) 34.142 1.329 ( 0.000 37.348 28.662) 47.079 2.036 ( 0.000 0.338 9.163) 9.169 2.834 ( 0.000 -2.098 -2.958) 3.626 3.063 ( 0.000 -9.723 2.734) 10.100 3.248 ( 0.000 -3.121 -7.156) 7.807 3.476 ( 0.000 4.905 -3.062) 5.783 3.670 ( 0.000 -2.556 -2.998) 3.940 3.958 ( 0.000 2.507 -2.567) 3.589 4.070 ( 0.000 -12.071 -2.465) 12.320 4.098 ( 0.000 0.912 11.395) 11.432 4.651 ( 0.000 10.056 6.024) 11.723 4.830 ( 0.000 -1.717 12.659) 12.775 4.925 ( 0.000 1.056 -0.348) 1.112 5.180 ( 0.000 10.099 -0.830) 10.133 5.267 ( 0.000 1.066 -9.508) 9.568 5.300 ( 0.000 0.951 7.070) 7.134 6.513 ( 0.000 -1.349 -6.831) 6.963 6.880 ( 0.000 -10.976 4.227) 11.762 7.104 ( 0.000 -9.745 -7.153) 12.088 7.178 ( 0.000 -1.167 -14.256) 14.303 7.274 ( 0.000 -1.019 -6.700) 6.777 7.471 ( 0.000 -1.879 -7.755) 7.979 7.580 ( 0.000 -5.626 -4.134) 6.981 7.698 ( 0.000 -2.059 -0.227) 2.071 8.049 ( 0.000 5.007 -11.330) 12.387 8.107 ( 0.000 -2.656 -0.895) 2.802 8.298 ( 0.000 14.864 -0.739) 14.883 8.609 ( 0.000 2.808 21.972) 22.151 9.077 ( 0.000 -2.301 -13.335) 13.532 9.608 ( 0.000 -1.680 4.988) 5.264 10.568 ( 0.000 18.038 2.735) 18.244 11.689 ( 0.000 13.469 -3.197) 13.843 12.598 ( 0.000 -7.481 2.702) 7.954 12.836 ( 0.000 2.933 1.709) 3.395 13.279 ( 0.000 -1.953 1.300) 2.347 13.479 ( 0.000 -10.105 -0.411) 10.114 14.108 ( 0.000 3.738 2.135) 4.305 14.541 ( 0.000 -1.543 4.033) 4.318 14.769 ( 0.000 7.479 3.734) 8.359 14.954 ( 0.000 3.650 -5.930) 6.963 15.163 ( 0.000 -1.056 -8.046) 8.115 15.309 ( 0.000 4.102 -3.800) 5.591 15.810 ( 0.000 -0.669 0.776) 1.025 15.957 ( 0.000 -4.371 2.704) 5.140 16.348 ( 0.000 -10.255 3.516) 10.841 16.363 ( 0.000 2.382 -1.109) 2.628 16.603 ( 0.000 -8.329 6.726) 10.706 16.834 ( 0.000 2.097 -7.436) 7.726 17.046 ( 0.000 -0.503 1.617) 1.693 17.080 ( 0.000 -0.710 3.980) 4.043 17.105 ( 0.000 -0.474 -1.230) 1.318 17.213 ( 0.000 2.244 0.744) 2.364 17.624 ( 0.000 -12.912 5.136) 13.896 17.771 ( 0.000 -3.927 -2.215) 4.509 17.814 ( 0.000 0.206 0.000) 0.206 18.155 ( 0.000 -0.074 0.247) 0.258 18.337 ( 0.000 7.640 -1.669) 7.820 18.762 ( 0.000 10.399 -17.339) 20.219 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 13.721 13.556 14.639) 24.214 1.130 ( 14.091 31.134 9.281) 35.412 1.922 ( 43.458 18.530 30.960) 56.485 2.058 ( 2.593 1.343 8.377) 8.871 2.858 ( 2.219 -3.169 -4.357) 5.826 3.035 ( -1.976 -9.641 0.552) 9.857 3.207 ( -3.585 -1.257 -3.527) 5.184 3.497 ( 1.018 4.974 -3.155) 5.977 3.638 ( -3.122 -3.006 -2.550) 5.029 3.997 ( 3.238 0.810 -2.594) 4.227 4.024 ( 1.082 -5.727 -2.965) 6.539 4.187 ( 4.839 1.109 3.881) 6.302 4.651 ( -2.348 0.101 5.055) 5.574 4.795 ( -4.265 7.109 -1.293) 8.391 4.898 ( -7.201 10.953 1.433) 13.187 5.079 ( 9.041 6.372 7.890) 13.587 5.151 ( -5.542 12.300 -0.627) 13.505 5.515 ( 7.128 -10.712 6.178) 14.273 6.452 ( -5.352 -0.769 -7.132) 8.950 6.899 ( -4.016 -3.550 -1.330) 5.522 6.959 ( -6.790 -1.562 -2.853) 7.529 7.138 ( -2.191 -18.778 -4.017) 19.327 7.211 ( -6.465 -2.863 -5.344) 8.863 7.383 ( -9.077 -1.176 -8.957) 12.806 7.521 ( -5.300 -4.629 -0.160) 7.038 7.689 ( -1.651 -4.357 -4.889) 6.753 8.007 ( -8.781 -3.868 -3.592) 10.245 8.052 ( -0.978 2.957 -0.874) 3.235 8.287 ( 0.429 14.678 1.024) 14.719 8.478 ( -5.593 10.412 11.767) 16.678 9.252 ( 11.251 -3.634 -7.742) 14.132 9.661 ( 3.957 -2.881 5.079) 7.054 10.583 ( 1.833 17.903 2.432) 18.160 11.645 ( -4.726 13.678 -2.543) 14.693 12.649 ( 3.067 -8.781 0.704) 9.327 12.842 ( 1.222 3.313 0.891) 3.642 13.383 ( 2.773 -4.593 -0.867) 5.435 13.460 ( 5.941 -7.505 0.513) 9.585 14.144 ( 3.829 3.251 3.285) 6.002 14.564 ( 2.081 -1.968 3.636) 4.629 14.767 ( 0.003 7.542 2.610) 7.981 14.895 ( -6.592 4.386 -9.856) 12.643 15.149 ( -2.366 1.662 -1.264) 3.156 15.374 ( 3.619 -1.021 -10.987) 11.613 15.797 ( -1.285 -2.251 1.610) 3.051 15.991 ( 0.122 -3.759 1.359) 3.999 16.253 ( -5.317 -7.248 3.274) 9.567 16.359 ( -0.233 2.326 -0.838) 2.484 16.609 ( 0.648 -8.698 6.533) 10.898 16.842 ( 0.355 2.479 -5.638) 6.169 17.006 ( -2.541 0.372 2.929) 3.895 17.084 ( -0.614 -3.330 0.437) 3.414 17.131 ( 1.697 -0.111 2.316) 2.873 17.219 ( 0.309 2.129 1.162) 2.445 17.585 ( -1.837 -8.965 1.550) 9.282 17.779 ( 0.292 -4.536 -1.138) 4.685 17.804 ( -0.481 2.542 -0.030) 2.587 18.160 ( 0.418 -0.202 0.304) 0.555 18.300 ( -2.777 6.616 -1.099) 7.259 18.728 ( -4.109 5.213 -11.641) 13.400 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 30.196 6.968 -1.415) 31.022 1.482 ( 21.631 20.141 5.838) 30.128 2.114 ( 3.828 2.449 5.858) 7.414 2.771 ( 36.370 9.356 15.819) 40.750 2.910 ( 2.930 -7.671 -3.943) 9.109 3.010 ( 3.582 -4.066 -1.859) 5.728 3.169 ( 1.260 0.068 2.962) 3.220 3.493 ( -1.158 5.089 -3.141) 6.091 3.567 ( -3.361 -1.758 -1.540) 4.094 3.995 ( -4.252 -5.570 -5.558) 8.945 4.076 ( 2.052 1.884 0.799) 2.898 4.389 ( 16.890 4.014 -6.881) 18.675 4.571 ( -10.435 -1.946 -0.915) 10.654 4.656 ( -9.643 19.720 -4.799) 22.470 4.763 ( 2.482 3.353 -2.533) 4.881 5.009 ( -8.275 13.369 0.179) 15.724 5.481 ( 25.219 -2.426 15.622) 29.765 5.609 ( 5.241 -4.795 11.596) 13.599 6.348 ( -4.705 0.638 -7.726) 9.068 6.665 ( -12.578 1.238 -2.956) 12.980 6.904 ( -14.101 -2.778 -6.183) 15.646 7.036 ( -0.695 -11.739 -1.695) 11.881 7.129 ( -15.006 -3.005 -9.127) 17.818 7.146 ( -2.649 -12.705 0.631) 12.993 7.395 ( -8.010 -2.979 0.812) 8.585 7.630 ( -4.998 -7.271 -4.703) 9.998 7.776 ( -12.951 -5.596 -0.267) 14.111 7.981 ( -7.014 -9.200 0.427) 11.576 8.330 ( 4.938 17.416 2.341) 18.253 8.476 ( 3.330 16.873 3.542) 17.560 9.452 ( 9.532 -3.362 -2.067) 10.317 9.733 ( 3.411 -2.975 5.151) 6.857 10.636 ( 3.563 17.711 1.771) 18.153 11.510 ( -9.086 14.186 -1.346) 16.900 12.712 ( 4.121 -8.887 0.777) 9.827 12.910 ( 6.343 4.150 -0.964) 7.641 13.309 ( -5.349 -6.728 -1.467) 8.720 13.731 ( 15.748 -7.286 -0.607) 17.362 14.247 ( 6.252 2.244 5.572) 8.670 14.553 ( -8.500 -2.659 -4.908) 10.169 14.739 ( -3.090 5.967 -4.632) 8.161 14.785 ( 1.348 7.188 -1.913) 7.559 15.098 ( -2.773 3.490 5.296) 6.922 15.378 ( -2.923 -1.380 -10.765) 11.239 15.699 ( -10.561 -3.691 4.070) 11.905 15.907 ( -5.095 -0.882 -1.861) 5.496 16.280 ( 6.243 -5.963 5.025) 9.989 16.362 ( 0.822 2.116 0.081) 2.271 16.625 ( 0.950 -9.214 5.961) 11.015 16.810 ( -4.102 2.695 0.078) 4.909 16.987 ( 0.547 -0.285 0.203) 0.649 17.061 ( -1.126 -3.406 0.632) 3.642 17.150 ( -0.102 -0.760 3.162) 3.254 17.217 ( -0.431 2.604 1.381) 2.979 17.592 ( 2.392 -6.714 -2.752) 7.640 17.774 ( -0.546 -4.062 -0.039) 4.098 17.808 ( 0.822 3.774 -0.371) 3.880 18.169 ( 0.478 -0.132 0.182) 0.528 18.246 ( -2.808 3.691 -0.715) 4.692 18.601 ( -8.775 2.099 -6.313) 11.012 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 24.132 9.744 2.312) 26.127 1.938 ( 25.112 4.642 -0.512) 25.542 2.198 ( 4.691 3.585 4.048) 7.159 2.865 ( -5.575 -8.043 -2.321) 10.057 2.959 ( 2.830 -0.604 -8.687) 9.156 3.218 ( 4.042 -2.370 -0.360) 4.699 3.393 ( 4.138 -2.818 -2.334) 5.524 3.433 ( -3.707 0.077 -2.975) 4.754 3.746 ( 26.162 8.560 11.630) 29.882 3.872 ( -7.217 -2.390 -5.106) 9.158 4.062 ( -2.659 0.540 3.906) 4.756 4.293 ( -14.037 3.723 0.314) 14.525 4.438 ( -9.325 19.499 -2.206) 21.727 4.774 ( 1.524 12.231 -2.915) 12.665 4.873 ( 18.175 4.176 -9.536) 20.945 5.022 ( 15.870 -0.702 -8.687) 18.105 5.709 ( 9.382 -0.982 13.578) 16.533 5.984 ( 18.447 -1.254 8.752) 20.457 6.291 ( 0.710 -0.043 -3.851) 3.916 6.434 ( -12.829 -1.706 -3.887) 13.513 6.551 ( -18.028 0.584 -6.241) 19.087 6.794 ( -17.197 -0.407 -10.964) 20.399 6.893 ( -15.717 -3.316 -3.360) 16.411 7.170 ( 1.122 -11.795 4.022) 12.512 7.221 ( -8.095 -7.854 3.565) 11.829 7.441 ( -12.906 -4.710 0.348) 13.743 7.632 ( -1.993 -13.907 -1.662) 14.147 7.846 ( -6.191 -12.873 -1.061) 14.324 8.444 ( 5.895 16.930 2.372) 18.083 8.542 ( 2.815 17.300 2.233) 17.669 9.617 ( 7.519 -3.378 1.250) 8.337 9.786 ( 1.784 -2.971 4.498) 5.679 10.725 ( 5.972 17.288 1.615) 18.362 11.307 ( -11.662 14.761 -0.198) 18.813 12.821 ( 7.188 -10.246 -0.233) 12.518 13.079 ( 9.990 3.766 -3.757) 11.318 13.213 ( -3.624 -5.762 -0.613) 6.835 14.016 ( 13.681 -7.321 -2.037) 15.650 14.164 ( -19.690 4.131 -8.780) 21.951 14.454 ( 7.203 -0.656 5.734) 9.230 14.758 ( -0.287 3.615 -2.875) 4.628 14.830 ( 2.912 0.839 -1.426) 3.349 15.035 ( -3.690 4.534 4.934) 7.650 15.277 ( -7.120 -0.606 -5.830) 9.222 15.489 ( -7.304 -0.036 5.561) 9.180 15.805 ( -6.589 0.302 1.733) 6.820 16.388 ( 3.128 0.551 1.070) 3.351 16.435 ( 7.899 -4.082 4.805) 10.107 16.641 ( 0.294 -8.944 5.257) 10.379 16.705 ( -6.063 2.570 2.486) 7.039 16.988 ( -0.616 -5.069 2.142) 5.538 17.061 ( 0.332 -1.011 -1.060) 1.501 17.129 ( -1.084 0.198 1.958) 2.247 17.209 ( -0.541 3.493 0.928) 3.655 17.661 ( 4.137 -6.552 -2.990) 8.306 17.764 ( -0.510 -3.471 0.367) 3.528 17.839 ( 2.909 4.324 -1.073) 5.320 18.177 ( 0.144 0.130 -0.233) 0.303 18.192 ( -2.648 0.809 -0.433) 2.803 18.409 ( -10.517 2.162 -3.730) 11.366 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 11.019 7.548 2.803) 13.647 2.264 ( 1.991 4.647 2.546) 5.660 2.399 ( 20.487 -1.216 -1.736) 20.596 2.712 ( -11.520 -5.665 -2.110) 13.010 3.030 ( 6.689 0.278 -3.639) 7.620 3.236 ( -12.261 -3.541 -3.039) 13.119 3.321 ( 7.004 -4.223 -7.399) 11.029 3.441 ( -3.069 -3.762 -5.107) 7.047 3.792 ( 1.286 1.584 -1.350) 2.446 3.892 ( -6.147 2.079 1.376) 6.634 4.095 ( -2.982 4.206 1.404) 5.343 4.099 ( -3.083 3.362 1.348) 4.757 4.457 ( 11.813 20.642 6.154) 24.567 4.653 ( -7.909 17.478 3.922) 19.581 5.386 ( 27.892 -0.782 -13.786) 31.123 5.447 ( 26.794 -1.166 -11.342) 29.119 5.886 ( -19.764 -0.464 -10.127) 22.212 5.958 ( -1.537 -0.250 2.055) 2.578 6.031 ( -7.455 -1.208 -1.779) 7.759 6.382 ( -10.955 0.404 -1.465) 11.060 6.439 ( -4.862 4.309 -3.003) 7.157 6.550 ( -11.818 6.106 0.050) 13.302 6.663 ( 17.396 -4.842 5.258) 18.808 7.017 ( -14.509 -6.005 5.202) 16.541 7.191 ( 0.067 -11.634 2.833) 11.974 7.234 ( -6.135 -10.916 1.858) 12.660 7.655 ( 3.619 -15.432 -2.056) 15.983 7.742 ( -4.943 -14.824 -1.824) 15.733 8.536 ( 3.409 16.732 2.275) 17.227 8.570 ( -0.077 17.041 2.174) 17.180 9.736 ( 4.671 -3.333 2.951) 6.452 9.793 ( -1.222 -3.149 3.822) 5.101 10.872 ( 9.300 16.470 1.376) 18.964 11.077 ( -11.690 15.532 0.752) 19.454 12.970 ( 7.482 -11.771 -0.916) 13.978 13.092 ( -5.121 -10.273 -1.736) 11.609 13.367 ( 16.098 7.976 -5.238) 18.714 13.737 ( -21.670 6.697 -8.909) 24.369 14.299 ( 15.135 -5.949 -4.001) 16.747 14.558 ( -6.068 -5.564 -0.982) 8.291 14.690 ( 2.326 3.092 2.539) 4.628 14.819 ( -5.825 -0.266 7.161) 9.235 15.024 ( 4.240 2.832 -0.740) 5.153 15.140 ( -6.806 0.063 -2.597) 7.284 15.487 ( 6.088 3.740 6.542) 9.687 15.649 ( -9.189 2.259 4.722) 10.575 16.464 ( 4.894 1.700 1.980) 5.546 16.572 ( -5.063 1.133 3.052) 6.019 16.576 ( 4.707 -5.279 4.359) 8.308 16.645 ( -1.602 -7.120 4.271) 8.455 16.985 ( 0.840 -5.855 2.271) 6.336 17.026 ( -2.989 -4.202 1.252) 5.307 17.148 ( 2.261 3.611 -0.339) 4.274 17.188 ( -1.655 3.812 0.170) 4.159 17.725 ( 2.201 -5.092 -0.966) 5.631 17.752 ( -0.842 -3.609 0.141) 3.708 17.940 ( 7.634 2.302 -2.249) 8.285 18.101 ( -7.337 -0.942 -1.753) 7.602 18.194 ( 1.091 1.057 -0.317) 1.552 18.242 ( -5.181 3.063 -1.502) 6.203 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 11.704 33.446) 35.435 1.387 ( 0.000 26.035 17.938) 31.616 1.956 ( 0.000 -9.766 12.298) 15.704 2.153 ( 0.000 40.590 6.158) 41.054 2.811 ( 0.000 -15.987 4.764) 16.682 2.875 ( 0.000 7.364 -1.670) 7.551 3.198 ( 0.000 -1.692 -2.171) 2.752 3.548 ( 0.000 1.770 -3.749) 4.146 3.580 ( 0.000 -6.907 -1.097) 6.994 3.798 ( 0.000 -14.388 -1.023) 14.424 4.053 ( 0.000 5.719 -0.578) 5.748 4.121 ( 0.000 1.475 7.089) 7.241 4.634 ( 0.000 -5.188 9.093) 10.468 4.850 ( 0.000 -7.173 -3.603) 8.027 4.925 ( 0.000 7.910 7.671) 11.019 5.238 ( 0.000 -2.334 6.821) 7.209 5.416 ( 0.000 12.605 -7.773) 14.809 5.617 ( 0.000 27.634 1.883) 27.699 6.467 ( 0.000 -6.342 -5.958) 8.701 6.605 ( 0.000 -13.733 3.924) 14.282 6.752 ( 0.000 -16.379 -2.607) 16.585 7.259 ( 0.000 -0.421 -6.998) 7.011 7.272 ( 0.000 0.372 -10.610) 10.617 7.338 ( 0.000 -13.897 -0.570) 13.909 7.481 ( 0.000 -1.474 -16.369) 16.435 7.643 ( 0.000 -3.654 -3.121) 4.805 8.043 ( 0.000 -2.418 -7.389) 7.775 8.051 ( 0.000 -2.813 -0.988) 2.981 8.566 ( 0.000 11.050 3.918) 11.724 8.787 ( 0.000 15.565 12.161) 19.752 9.010 ( 0.000 -4.773 -9.255) 10.413 9.539 ( 0.000 -5.979 4.924) 7.746 11.008 ( 0.000 26.575 1.547) 26.620 12.014 ( 0.000 17.468 -6.477) 18.630 12.408 ( 0.000 -10.353 5.052) 11.520 12.912 ( 0.000 4.950 1.847) 5.284 13.220 ( 0.000 -4.736 1.135) 4.870 13.256 ( 0.000 -13.297 -1.151) 13.347 14.195 ( 0.000 5.323 2.524) 5.891 14.494 ( 0.000 -3.468 3.765) 5.119 14.979 ( 0.000 12.839 2.948) 13.173 15.044 ( 0.000 7.221 -6.694) 9.847 15.151 ( 0.000 -0.289 -10.302) 10.306 15.407 ( 0.000 6.291 1.732) 6.525 15.801 ( 0.000 -0.304 -1.270) 1.306 15.871 ( 0.000 -5.121 2.901) 5.885 16.140 ( 0.000 -11.226 2.416) 11.483 16.240 ( 0.000 -16.624 1.385) 16.682 16.571 ( 0.000 6.942 3.975) 8.000 16.881 ( 0.000 2.765 -6.005) 6.611 17.026 ( 0.000 -1.655 -1.098) 1.986 17.050 ( 0.000 -2.579 1.807) 3.150 17.103 ( 0.000 0.330 0.939) 0.996 17.277 ( 0.000 4.280 1.202) 4.445 17.382 ( 0.000 -12.421 3.858) 13.006 17.640 ( 0.000 -7.586 -1.358) 7.706 17.882 ( 0.000 4.927 0.411) 4.944 18.137 ( 0.000 -2.029 0.137) 2.034 18.496 ( 0.000 8.609 -3.321) 9.228 18.836 ( 0.000 -0.777 -12.179) 12.204 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 8.338 16.974 15.001) 24.138 1.614 ( 13.590 21.030 13.828) 28.603 2.003 ( 4.633 -8.047 10.064) 13.693 2.433 ( 26.109 27.945 12.351) 40.189 2.783 ( -1.218 -9.859 1.901) 10.114 2.887 ( 1.162 3.212 -1.793) 3.858 3.193 ( -0.489 0.326 0.041) 0.589 3.543 ( -2.145 -5.747 -1.530) 6.322 3.569 ( 0.048 0.156 -2.489) 2.494 3.829 ( 3.673 -10.487 -3.786) 11.739 4.093 ( 3.747 5.889 -1.223) 7.087 4.213 ( 8.403 1.384 4.141) 9.470 4.591 ( -2.642 -3.552 2.638) 5.154 4.778 ( -5.497 -5.485 -2.887) 8.284 5.059 ( 12.463 4.674 10.496) 16.951 5.303 ( -4.765 -0.232 -2.508) 5.390 5.375 ( 5.514 12.995 4.826) 14.918 5.572 ( -4.432 27.002 2.452) 27.473 6.435 ( -2.920 -1.996 -7.667) 8.443 6.635 ( 3.433 -16.810 4.736) 17.799 6.760 ( 0.032 -16.606 -3.253) 16.922 7.054 ( -16.614 2.960 -7.314) 18.392 7.182 ( -9.888 -1.330 -5.982) 11.633 7.335 ( -2.477 -9.537 -2.166) 10.089 7.370 ( -8.440 -5.289 -9.607) 13.838 7.583 ( -6.159 -6.124 -5.479) 10.269 7.941 ( -9.438 -2.949 -4.611) 10.910 7.992 ( -7.232 -4.953 -0.535) 8.782 8.579 ( 2.127 13.520 3.129) 14.040 8.767 ( 1.121 18.123 5.256) 18.903 9.159 ( 10.675 -5.927 -3.608) 12.732 9.574 ( 3.162 -6.611 4.901) 8.816 11.025 ( 1.896 26.933 1.451) 27.038 11.985 ( -3.533 19.747 -5.155) 20.713 12.431 ( 2.077 -13.038 3.340) 13.619 12.924 ( 1.715 5.196 0.834) 5.535 13.217 ( -3.778 -13.013 -1.016) 13.589 13.320 ( 9.745 -6.870 0.662) 11.942 14.223 ( 2.874 4.851 3.171) 6.469 14.509 ( 1.243 -3.790 3.278) 5.163 14.955 ( -2.992 9.254 -1.343) 9.818 15.024 ( -1.763 11.102 -6.978) 13.230 15.177 ( 1.282 1.302 -6.589) 6.837 15.398 ( -0.960 4.026 0.114) 4.140 15.751 ( -3.926 -2.674 1.147) 4.887 15.926 ( 2.487 -3.207 0.784) 4.133 16.077 ( -3.638 -10.392 2.705) 11.338 16.258 ( 1.761 -15.688 1.424) 15.851 16.545 ( -2.230 5.249 4.250) 7.113 16.901 ( 1.132 3.396 -4.045) 5.401 16.998 ( -4.177 -3.852 1.547) 5.889 17.019 ( -0.330 -0.910 -0.384) 1.041 17.126 ( 1.264 -0.221 1.937) 2.324 17.279 ( 0.069 3.905 1.340) 4.129 17.393 ( 1.559 -10.330 0.919) 10.487 17.647 ( 0.504 -7.800 -0.544) 7.835 17.884 ( 0.310 5.112 0.181) 5.124 18.141 ( 0.381 -2.041 0.133) 2.081 18.452 ( -4.177 8.454 -2.944) 9.878 18.771 ( -6.172 -0.648 -9.510) 11.356 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 24.599 10.778 -0.026) 26.856 1.864 ( 13.181 17.782 7.028) 23.224 2.119 ( 6.989 -3.240 6.342) 9.978 2.708 ( 0.161 -12.255 1.410) 12.337 2.898 ( 2.695 2.660 -5.217) 6.446 3.071 ( 21.531 7.892 4.266) 23.325 3.199 ( 3.562 4.046 3.902) 6.654 3.492 ( -2.754 -3.532 1.610) 4.760 3.584 ( 4.749 2.575 -0.657) 5.442 3.898 ( 1.617 -3.305 -3.862) 5.334 4.151 ( 0.794 5.594 -0.899) 5.721 4.434 ( 13.184 -0.060 -3.459) 13.631 4.536 ( -4.308 -0.566 -5.258) 6.821 4.721 ( 4.549 -3.477 -3.001) 6.464 5.083 ( -11.791 17.502 -4.994) 21.686 5.407 ( 9.522 9.535 9.184) 16.308 5.440 ( 4.798 15.098 7.219) 17.410 5.582 ( 10.498 4.857 12.115) 16.751 6.377 ( -2.922 2.374 -9.344) 10.074 6.682 ( -12.159 -2.679 -5.177) 13.484 6.717 ( 2.989 -17.853 2.259) 18.242 6.794 ( -4.900 -10.525 0.128) 11.611 6.926 ( -14.890 -5.290 -4.436) 16.413 7.109 ( -14.933 -0.523 -9.669) 17.798 7.310 ( -3.970 -8.377 0.981) 9.322 7.436 ( -7.732 -11.422 -6.114) 15.087 7.684 ( -16.762 -4.225 -2.543) 17.472 7.799 ( -11.908 -8.337 0.892) 14.564 8.658 ( 5.634 16.269 2.509) 17.399 8.827 ( 4.014 19.014 2.418) 19.583 9.354 ( 9.338 -6.884 -0.108) 11.602 9.641 ( 3.366 -6.997 4.540) 8.994 11.078 ( 3.420 27.185 1.082) 27.421 11.871 ( -8.143 22.357 -2.851) 23.964 12.484 ( 3.509 -15.135 1.609) 15.619 12.992 ( 4.461 2.425 -2.942) 5.868 13.134 ( -3.234 -9.588 0.590) 10.136 13.556 ( 13.793 -10.516 -0.597) 17.355 14.303 ( 5.211 3.485 4.746) 7.863 14.502 ( -4.055 -2.855 -0.798) 5.023 14.860 ( -5.128 7.199 -6.175) 10.782 14.982 ( -2.967 11.724 -5.740) 13.387 15.168 ( -2.012 3.316 1.581) 4.188 15.370 ( -2.489 1.478 -4.527) 5.373 15.626 ( -8.782 -3.357 5.140) 10.715 15.891 ( -3.137 -0.591 -0.756) 3.281 16.132 ( 7.087 -9.044 4.380) 12.296 16.304 ( 2.968 -13.541 1.806) 13.980 16.504 ( -1.722 2.321 4.768) 5.576 16.877 ( -3.986 4.129 0.803) 5.795 16.915 ( -3.728 -6.781 2.584) 8.159 17.034 ( 1.325 -0.165 -1.877) 2.304 17.139 ( 0.413 0.341 1.703) 1.786 17.281 ( 0.243 3.939 1.129) 4.105 17.445 ( 3.574 -8.041 -2.244) 9.081 17.655 ( 0.306 -7.596 0.464) 7.616 17.897 ( 1.111 5.322 -0.228) 5.442 18.151 ( 0.647 -1.948 0.015) 2.053 18.354 ( -5.615 6.869 -2.113) 9.120 18.619 ( -9.255 -0.586 -5.766) 10.920 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 24.197 4.744 -2.340) 24.768 2.125 ( 13.434 10.829 3.610) 17.629 2.254 ( 6.589 1.376 4.053) 7.857 2.686 ( -2.708 -10.023 0.172) 10.383 2.955 ( 4.144 0.530 -8.726) 9.674 3.175 ( 0.809 -1.808 -0.065) 1.982 3.289 ( -2.510 -6.155 -4.056) 7.787 3.424 ( -4.064 -3.404 -1.859) 5.618 3.864 ( 2.802 3.836 -1.140) 4.886 3.919 ( 13.888 6.933 6.430) 16.801 4.108 ( -4.025 3.935 1.852) 5.926 4.317 ( -10.964 -0.665 -0.488) 10.995 4.856 ( 23.307 1.689 -11.606) 26.092 4.890 ( 2.870 21.833 -2.411) 22.152 4.984 ( 13.912 3.333 -8.821) 16.806 5.277 ( -7.309 28.898 2.222) 29.891 5.740 ( 12.887 5.209 12.861) 18.937 5.934 ( 21.841 -4.291 11.632) 25.114 6.290 ( -7.518 -0.112 -7.964) 10.952 6.404 ( -17.019 -1.736 -7.216) 18.567 6.568 ( -10.607 2.101 -2.633) 11.129 6.716 ( -3.431 -14.167 -2.776) 14.839 6.797 ( -12.035 -2.699 -7.460) 14.414 6.877 ( -0.426 -15.062 1.520) 15.145 7.141 ( -14.165 -1.022 3.033) 14.522 7.300 ( -10.499 -10.026 -3.398) 14.909 7.378 ( -8.951 -12.526 0.186) 15.397 7.564 ( -11.229 -15.052 0.772) 18.795 8.774 ( 5.898 17.089 2.316) 18.226 8.894 ( 2.538 18.794 1.992) 19.069 9.516 ( 7.384 -7.372 1.872) 10.600 9.692 ( 1.624 -7.148 3.937) 8.320 11.160 ( 5.327 26.941 0.891) 27.477 11.684 ( -10.756 23.781 -1.226) 26.129 12.571 ( 5.562 -16.416 0.412) 17.337 12.961 ( -6.021 -14.350 -3.098) 15.867 13.239 ( 12.383 6.927 -1.764) 14.298 13.833 ( 14.949 -11.374 -2.456) 18.944 14.259 ( -16.400 5.420 -6.996) 18.635 14.440 ( 4.589 -0.846 4.479) 6.468 14.823 ( -1.006 3.231 -0.171) 3.388 14.894 ( -4.970 4.822 -6.481) 9.485 15.105 ( -4.566 2.447 3.749) 6.395 15.259 ( -8.148 -1.560 -1.997) 8.533 15.532 ( 0.596 5.772 6.777) 8.922 15.829 ( -3.985 2.665 1.881) 5.150 16.276 ( 7.079 -9.643 3.506) 12.466 16.370 ( 3.602 -12.778 3.388) 13.702 16.491 ( 0.707 1.473 4.058) 4.374 16.775 ( -6.140 4.411 2.331) 7.911 16.860 ( -1.769 -7.740 2.878) 8.445 17.022 ( -2.950 -3.049 0.654) 4.293 17.169 ( 2.788 3.672 -1.077) 4.735 17.285 ( -0.075 4.514 0.954) 4.615 17.523 ( 4.322 -7.571 -2.763) 9.145 17.657 ( -0.123 -7.132 0.585) 7.157 17.932 ( 2.671 5.252 -0.652) 5.928 18.167 ( 1.073 -1.555 -0.256) 1.906 18.245 ( -5.731 4.359 -1.421) 7.339 18.432 ( -9.615 -0.040 -3.332) 10.176 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 8.703 4.499 1.110) 9.860 2.347 ( 6.419 3.621 1.431) 7.508 2.378 ( 11.620 -0.443 0.123) 11.629 2.589 ( -7.568 -6.514 -0.066) 9.985 3.043 ( 4.573 1.206 -5.072) 6.935 3.166 ( -7.697 -3.226 -3.815) 9.177 3.221 ( 4.604 -5.281 -5.222) 8.738 3.339 ( -5.598 -6.410 -5.079) 9.911 3.866 ( 2.688 5.807 0.262) 6.404 3.965 ( -6.159 5.151 1.369) 8.145 4.121 ( 1.113 -0.237 2.873) 3.090 4.156 ( -4.664 1.136 1.199) 4.948 4.984 ( 8.330 32.537 2.113) 33.653 5.130 ( -6.403 30.557 1.284) 31.247 5.376 ( 27.142 -0.100 -12.811) 30.013 5.422 ( 26.101 -0.974 -9.726) 27.871 5.874 ( -19.788 -0.307 -7.840) 21.287 5.943 ( -25.195 -1.979 -8.178) 26.563 6.058 ( 16.774 5.260 6.293) 18.672 6.413 ( -8.438 0.866 -0.558) 8.501 6.526 ( 10.219 -1.830 -1.111) 10.441 6.558 ( 2.964 1.274 0.020) 3.227 6.656 ( -5.479 2.720 0.770) 6.166 6.828 ( -7.745 -12.587 1.506) 14.856 6.907 ( -2.980 -16.480 4.528) 17.349 7.029 ( -15.470 -9.248 4.759) 18.641 7.336 ( 1.965 -17.255 -1.379) 17.421 7.409 ( -5.302 -19.625 -1.173) 20.363 8.871 ( 3.818 17.647 2.207) 18.190 8.914 ( -0.593 18.277 2.094) 18.406 9.634 ( 4.766 -7.523 2.859) 9.353 9.694 ( -1.464 -7.380 3.416) 8.263 11.290 ( 8.269 26.135 0.574) 27.418 11.474 ( -10.619 24.993 -0.131) 27.156 12.694 ( 7.023 -17.491 -0.716) 18.862 12.832 ( -7.099 -16.949 -1.737) 18.457 13.528 ( 17.178 9.069 -5.443) 20.173 13.888 ( -19.669 8.827 -8.131) 23.042 14.139 ( 16.235 -10.366 -4.492) 19.779 14.424 ( -10.258 -8.336 -2.696) 13.490 14.769 ( 1.936 5.149 2.361) 5.986 14.855 ( -3.591 3.794 5.320) 7.456 15.049 ( 0.970 -0.508 2.773) 2.981 15.125 ( -5.686 -1.834 0.955) 6.050 15.606 ( 5.917 8.896 5.247) 11.903 15.729 ( -6.247 6.465 3.858) 9.783 16.384 ( 3.802 -11.607 3.439) 12.689 16.416 ( 0.536 -13.818 4.516) 14.547 16.543 ( 4.560 3.528 2.695) 6.364 16.651 ( -6.384 4.387 2.533) 8.150 16.864 ( 2.433 -6.614 2.382) 7.439 16.941 ( -4.819 -4.746 1.674) 6.968 17.227 ( 2.866 4.780 -0.906) 5.647 17.270 ( -1.502 4.887 0.173) 5.116 17.600 ( 3.345 -7.458 -1.611) 8.331 17.645 ( -1.360 -7.084 -0.188) 7.215 18.008 ( 5.319 4.368 -1.144) 6.977 18.127 ( -6.491 3.157 -1.351) 7.343 18.199 ( 2.377 -0.728 -0.639) 2.566 18.275 ( -6.008 0.319 -1.627) 6.233 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 15.093 25.763) 29.859 1.693 ( 0.000 -15.503 17.547) 23.415 1.894 ( 0.000 25.910 12.754) 28.879 2.360 ( 0.000 -21.201 8.272) 22.758 2.852 ( 0.000 21.229 -1.068) 21.256 3.036 ( 0.000 3.638 -4.800) 6.023 3.216 ( 0.000 6.184 3.715) 7.214 3.415 ( 0.000 -10.599 3.042) 11.027 3.531 ( 0.000 -2.505 -2.273) 3.382 3.564 ( 0.000 -8.272 -2.234) 8.568 4.144 ( 0.000 2.771 2.283) 3.590 4.150 ( 0.000 1.308 4.171) 4.371 4.591 ( 0.000 1.823 0.041) 1.824 4.696 ( 0.000 -8.022 -3.478) 8.744 5.064 ( 0.000 6.630 7.366) 9.911 5.172 ( 0.000 -4.616 7.053) 8.429 5.715 ( 0.000 18.836 -0.908) 18.858 6.088 ( 0.000 -7.435 0.135) 7.437 6.197 ( 0.000 10.574 4.137) 11.354 6.494 ( 0.000 -11.974 -0.846) 12.004 6.587 ( 0.000 8.606 -5.840) 10.400 6.934 ( 0.000 -23.735 -3.804) 24.038 7.261 ( 0.000 0.735 -6.540) 6.581 7.283 ( 0.000 -1.198 -5.797) 5.919 7.498 ( 0.000 2.743 -12.907) 13.196 7.567 ( 0.000 -4.134 -7.290) 8.381 8.007 ( 0.000 -0.937 -3.600) 3.720 8.011 ( 0.000 -1.292 -1.768) 2.190 8.748 ( 0.000 8.657 1.659) 8.815 8.897 ( 0.000 -7.020 -3.816) 7.990 9.106 ( 0.000 16.272 6.135) 17.390 9.373 ( 0.000 -11.558 4.897) 12.553 11.520 ( 0.000 26.261 0.351) 26.264 11.966 ( 0.000 -19.467 -2.141) 19.584 12.547 ( 0.000 21.017 0.289) 21.019 12.940 ( 0.000 -19.050 -1.828) 19.138 13.017 ( 0.000 5.911 1.843) 6.191 13.129 ( 0.000 -5.650 1.723) 5.907 14.303 ( 0.000 5.887 2.692) 6.474 14.411 ( 0.000 -5.213 3.149) 6.090 15.097 ( 0.000 3.399 -5.654) 6.597 15.140 ( 0.000 -1.201 -8.772) 8.854 15.357 ( 0.000 20.892 -1.108) 20.922 15.549 ( 0.000 8.239 4.277) 9.283 15.741 ( 0.000 -8.706 5.709) 10.410 15.744 ( 0.000 -11.733 -3.851) 12.349 15.929 ( 0.000 -7.699 4.195) 8.767 15.960 ( 0.000 -6.611 -0.093) 6.611 16.754 ( 0.000 11.035 1.633) 11.155 16.927 ( 0.000 -0.157 -0.443) 0.470 16.962 ( 0.000 -5.426 -3.917) 6.692 16.987 ( 0.000 -2.342 -3.563) 4.263 17.120 ( 0.000 1.732 2.624) 3.144 17.189 ( 0.000 -6.615 3.729) 7.594 17.374 ( 0.000 5.942 0.811) 5.997 17.499 ( 0.000 -7.142 -0.196) 7.144 17.982 ( 0.000 5.394 0.323) 5.404 18.076 ( 0.000 -4.287 0.226) 4.293 18.651 ( 0.000 7.504 -5.283) 9.177 18.774 ( 0.000 -5.197 -7.972) 9.516 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 7.451 17.089 14.967) 23.908 1.755 ( 6.668 -15.172 12.163) 20.557 2.013 ( 9.392 20.187 11.473) 25.047 2.395 ( 3.032 -18.878 6.958) 20.347 2.973 ( 10.519 14.373 -1.113) 17.846 3.027 ( -1.194 6.756 -4.707) 8.320 3.240 ( 2.012 5.309 3.639) 6.744 3.402 ( -0.825 -9.249 4.621) 10.372 3.542 ( 2.721 0.857 -2.000) 3.484 3.658 ( 8.751 -8.154 -1.949) 12.119 4.196 ( 5.047 4.040 0.099) 6.465 4.231 ( 7.723 0.065 2.110) 8.006 4.564 ( -2.078 1.557 -1.689) 3.098 4.652 ( -3.817 -6.765 -3.257) 8.423 5.137 ( 7.435 4.015 9.113) 12.428 5.216 ( 3.298 -4.402 6.579) 8.575 5.737 ( 2.739 20.902 1.180) 21.114 6.096 ( -1.930 16.915 1.364) 17.079 6.174 ( 0.602 -13.595 2.856) 13.905 6.471 ( -2.346 -13.775 -0.820) 13.998 6.585 ( -0.286 9.147 -6.329) 11.127 6.912 ( -3.233 -20.405 -6.361) 21.616 7.156 ( -11.322 0.581 -3.177) 11.773 7.178 ( -8.829 -1.689 -4.329) 9.977 7.373 ( -10.905 3.063 -10.756) 15.620 7.466 ( -9.461 -6.013 -7.378) 13.420 7.905 ( -9.665 -0.594 -3.274) 10.221 7.921 ( -9.048 -2.295 -1.532) 9.459 8.809 ( 5.730 10.862 1.262) 12.345 8.981 ( 7.094 -5.262 -2.896) 9.296 9.144 ( 3.795 13.186 5.861) 14.921 9.401 ( 2.716 -11.690 4.629) 12.863 11.546 ( 2.575 26.814 0.285) 26.938 12.003 ( 3.294 -19.703 -2.228) 20.100 12.499 ( -4.801 20.994 0.222) 21.537 12.892 ( -4.532 -18.110 -2.196) 18.797 13.055 ( 3.807 5.666 1.819) 7.065 13.186 ( 5.972 -7.232 1.100) 9.443 14.322 ( 1.935 5.477 2.937) 6.509 14.424 ( 1.241 -5.096 2.954) 6.020 15.077 ( -2.263 4.862 -6.746) 8.618 15.142 ( -0.398 -1.565 -8.354) 8.509 15.360 ( -0.863 17.641 -2.475) 17.834 15.521 ( -3.305 7.211 2.194) 8.230 15.671 ( -3.586 -5.546 2.789) 7.169 15.828 ( 5.081 -12.255 2.275) 13.460 15.918 ( -2.697 -4.050 0.438) 4.886 15.948 ( 1.858 -9.381 4.341) 10.502 16.697 ( -4.543 9.302 1.767) 10.501 16.867 ( -5.347 -7.901 1.400) 9.643 16.977 ( 1.711 2.920 -3.672) 4.994 17.013 ( 0.469 -0.778 -0.480) 1.027 17.135 ( 1.435 1.711 1.355) 2.612 17.215 ( 2.680 -6.989 0.300) 7.492 17.377 ( 0.371 5.770 1.299) 5.926 17.502 ( 0.299 -7.248 0.373) 7.264 17.986 ( 0.441 5.423 0.201) 5.445 18.081 ( 0.420 -4.271 0.167) 4.294 18.603 ( -4.796 7.176 -4.742) 9.848 18.717 ( -5.563 -4.701 -6.860) 10.005 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 18.070 13.261 2.683) 22.574 1.945 ( 12.310 -11.196 4.050) 17.125 2.188 ( 8.450 14.161 7.457) 18.099 2.457 ( 3.069 -13.913 4.159) 14.842 2.996 ( -1.281 7.259 -5.810) 9.385 3.114 ( 2.114 -3.178 -5.670) 6.835 3.264 ( -0.029 3.718 2.526) 4.495 3.386 ( -1.755 -7.710 3.791) 8.769 3.718 ( 15.694 10.160 3.378) 18.998 3.852 ( 9.376 -3.505 -1.178) 10.079 4.270 ( 0.117 6.496 -2.005) 6.800 4.380 ( 2.166 -4.765 -2.488) 5.795 4.567 ( 6.645 3.106 -5.502) 9.169 4.640 ( 6.858 -4.456 -3.892) 9.058 5.271 ( 3.404 5.325 5.397) 8.310 5.360 ( 16.079 -4.073 11.898) 20.413 5.828 ( 6.346 20.838 5.622) 22.497 5.990 ( -6.959 27.090 2.289) 28.064 6.250 ( 4.897 -20.987 1.021) 21.575 6.413 ( -3.183 -17.669 -0.258) 17.956 6.564 ( -2.974 6.801 -7.830) 10.790 6.732 ( -15.330 -4.946 -8.517) 18.221 6.891 ( -14.403 2.201 -0.791) 14.592 7.049 ( -2.733 -14.677 0.869) 14.955 7.135 ( -13.192 3.577 -9.365) 16.569 7.251 ( -11.755 -8.212 -7.614) 16.235 7.646 ( -17.067 0.428 -1.493) 17.138 7.688 ( -14.827 -3.829 -0.096) 15.314 8.940 ( 7.334 13.311 1.580) 15.279 9.121 ( 6.768 2.610 -1.308) 7.371 9.237 ( 5.443 3.509 5.157) 8.279 9.463 ( 3.244 -11.760 4.035) 12.849 11.609 ( 3.713 27.532 0.186) 27.782 12.074 ( 3.842 -18.593 -2.315) 19.126 12.372 ( -8.022 20.021 0.508) 21.574 12.776 ( -7.316 -19.369 -2.292) 20.831 13.174 ( 8.918 8.205 0.232) 12.121 13.354 ( 11.214 -10.365 -0.411) 15.276 14.374 ( 3.089 3.791 3.469) 5.996 14.443 ( -0.109 -3.429 1.708) 3.832 14.999 ( -5.933 6.859 -8.101) 12.160 15.094 ( -5.531 -1.921 -9.909) 11.510 15.278 ( -6.696 8.981 1.552) 11.310 15.402 ( -9.403 -2.081 -2.208) 9.881 15.646 ( 2.122 9.211 7.336) 11.965 15.892 ( 1.065 -2.314 1.333) 2.875 15.941 ( 5.501 -10.376 2.907) 12.099 16.013 ( 4.528 -10.756 5.121) 12.745 16.614 ( -3.544 7.517 2.525) 8.686 16.767 ( -4.552 -8.342 2.348) 9.789 16.955 ( -3.371 3.772 1.293) 5.221 17.013 ( -1.372 -2.193 0.369) 2.613 17.181 ( 3.433 4.065 -1.620) 5.562 17.284 ( 4.114 -6.116 -3.034) 7.971 17.389 ( 0.770 4.987 1.872) 5.382 17.510 ( 0.492 -7.292 1.151) 7.399 18.001 ( 1.083 5.380 -0.084) 5.489 18.093 ( 0.876 -4.136 -0.026) 4.228 18.481 ( -7.386 6.110 -3.484) 10.199 18.576 ( -8.581 -3.763 -4.706) 10.485 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 18.155 6.756 -1.001) 19.397 2.187 ( 11.858 -4.869 0.651) 12.835 2.335 ( 6.509 8.434 4.434) 11.540 2.502 ( 1.171 -9.208 2.109) 9.518 3.000 ( 2.090 4.418 -7.195) 8.698 3.107 ( -1.234 -5.989 -6.633) 9.022 3.240 ( -2.495 2.028 1.193) 3.429 3.323 ( -4.473 -5.887 -0.239) 7.398 3.955 ( 2.879 4.575 -0.446) 5.424 3.998 ( 8.547 0.729 2.855) 9.041 4.196 ( -6.248 4.943 0.136) 7.968 4.278 ( -8.113 -3.340 -0.477) 8.787 4.884 ( 22.540 1.713 -10.804) 25.054 4.922 ( 20.737 -2.203 -9.880) 23.075 5.411 ( 11.742 23.544 4.503) 26.692 5.748 ( 21.936 -10.570 10.605) 26.559 5.862 ( -4.364 29.311 2.262) 29.720 5.971 ( 7.876 14.399 8.992) 18.714 6.252 ( -9.318 -7.800 -6.141) 13.616 6.361 ( -10.317 -15.823 -2.286) 19.027 6.374 ( -11.218 -6.399 -4.288) 13.608 6.459 ( -5.537 -15.523 -0.631) 16.493 6.720 ( -2.994 11.888 -2.119) 12.441 6.896 ( -10.595 5.890 -8.140) 14.601 7.027 ( -0.851 -17.018 -0.355) 17.043 7.050 ( -8.300 -10.828 -7.112) 15.386 7.261 ( -22.149 2.663 2.141) 22.411 7.358 ( -18.924 -7.142 3.256) 20.488 9.077 ( 6.694 14.594 2.047) 16.186 9.221 ( 3.227 13.148 1.063) 13.580 9.347 ( 5.837 -8.233 3.569) 10.705 9.511 ( 1.462 -11.815 3.439) 12.392 11.691 ( 5.057 27.812 0.126) 28.268 12.122 ( -2.173 5.567 -3.613) 6.983 12.232 ( -2.691 -3.541 2.139) 4.935 12.620 ( -8.664 -21.191 -1.936) 22.975 13.401 ( 14.375 9.923 -2.562) 17.654 13.608 ( 15.063 -11.749 -2.652) 19.286 14.354 ( -9.873 4.238 -3.357) 11.256 14.414 ( -1.589 -2.135 1.234) 2.934 14.891 ( -3.709 3.820 -3.332) 6.281 14.943 ( -6.982 -0.635 -7.949) 10.599 15.150 ( -6.824 3.114 5.811) 9.489 15.214 ( -8.748 -3.093 2.287) 9.556 15.724 ( 5.034 13.973 5.431) 15.814 15.917 ( 0.693 5.894 2.273) 6.355 16.039 ( 4.461 -15.307 3.888) 16.411 16.103 ( 4.100 -11.322 4.650) 12.908 16.579 ( 0.339 6.095 2.647) 6.653 16.710 ( -0.950 -7.576 2.656) 8.084 16.866 ( -5.673 4.816 2.066) 7.723 16.953 ( -4.635 -4.187 1.549) 6.436 17.257 ( 4.147 5.504 -2.356) 7.283 17.361 ( 3.218 -1.634 -2.189) 4.221 17.406 ( 1.359 0.649 0.617) 1.628 17.517 ( 0.053 -7.226 1.006) 7.295 18.031 ( 2.238 5.065 -0.440) 5.555 18.116 ( 1.681 -3.727 -0.337) 4.102 18.334 ( -7.602 4.555 -2.233) 9.139 18.405 ( -8.778 -2.723 -2.849) 9.622 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 10.622 0.775 -0.230) 10.652 2.371 ( 6.715 -0.812 0.514) 6.783 2.418 ( 1.451 3.055 1.797) 3.830 2.484 ( -3.414 -4.365 1.010) 5.633 3.072 ( 4.245 1.696 -6.145) 7.659 3.113 ( 2.631 -2.723 -5.813) 6.937 3.167 ( -4.072 0.540 -2.677) 4.903 3.225 ( -5.589 -4.971 -3.668) 8.331 3.986 ( 2.261 6.204 0.963) 6.673 4.065 ( -4.167 3.983 1.400) 5.932 4.086 ( -0.019 -2.582 1.940) 3.230 4.142 ( -5.190 -2.477 1.481) 5.938 5.361 ( 25.266 1.441 -12.468) 28.211 5.380 ( 25.334 -0.823 -11.994) 28.041 5.654 ( 10.112 31.574 1.188) 33.175 5.729 ( -7.655 26.154 -2.034) 27.328 5.876 ( -23.277 -1.018 -9.915) 25.321 5.929 ( -19.320 5.753 -2.714) 20.340 6.188 ( 15.869 -7.073 3.673) 17.758 6.229 ( 10.181 -6.064 4.113) 12.544 6.372 ( 4.587 -21.538 4.470) 22.470 6.464 ( 7.102 -11.681 3.021) 14.001 6.652 ( -10.399 6.933 -2.610) 12.768 6.736 ( -7.666 3.286 -2.888) 8.827 6.834 ( -11.804 3.502 3.055) 12.686 6.892 ( -13.679 -1.615 2.804) 14.057 7.024 ( -0.275 -16.069 -1.278) 16.122 7.059 ( -6.697 -13.985 0.875) 15.531 9.187 ( 4.486 15.431 2.384) 16.246 9.242 ( -1.001 15.854 2.334) 16.056 9.450 ( 4.524 -11.737 2.765) 12.879 9.511 ( -1.620 -11.955 2.952) 12.420 11.811 ( 7.458 27.569 -0.164) 28.561 11.975 ( -9.253 26.502 -0.983) 28.089 12.304 ( 6.667 -23.453 -0.412) 24.386 12.453 ( -8.463 -22.888 -1.356) 24.441 13.714 ( 17.807 10.566 -5.359) 21.388 13.925 ( 17.392 -11.355 -5.070) 21.381 14.067 ( -17.877 9.554 -6.804) 21.382 14.251 ( -14.816 -9.629 -5.056) 18.379 14.873 ( 3.244 5.416 2.877) 6.938 14.929 ( 1.810 1.857 2.774) 3.797 15.020 ( -4.881 -0.654 5.597) 7.455 15.070 ( -6.415 -3.715 3.824) 8.341 15.822 ( 4.853 13.697 4.359) 15.171 15.898 ( -2.704 11.232 3.524) 12.078 16.112 ( 3.010 -15.906 3.938) 16.660 16.145 ( -0.015 -13.962 4.091) 14.549 16.631 ( 4.820 5.398 2.402) 7.624 16.741 ( 2.778 -4.580 2.318) 5.837 16.746 ( -5.200 3.674 2.321) 6.777 16.846 ( -6.032 -5.218 1.980) 8.218 17.330 ( 3.248 6.085 -1.302) 7.020 17.375 ( -1.200 6.064 -0.030) 6.182 17.459 ( 3.183 -7.084 -1.442) 7.899 17.505 ( -1.467 -7.273 -0.087) 7.420 18.093 ( 4.275 4.336 -0.870) 6.151 18.163 ( 3.400 -2.926 -0.783) 4.553 18.197 ( -6.427 3.708 -1.409) 7.553 18.256 ( -6.343 -2.242 -1.552) 6.904 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 0.000 18.711) 18.711 1.392 ( 0.000 0.000 33.009) 33.009 2.067 ( 0.000 0.000 49.814) 49.814 2.224 ( 0.000 0.000 12.135) 12.135 2.785 ( 0.000 0.000 -4.137) 4.137 2.940 ( 0.000 0.000 -19.759) 19.759 3.227 ( 0.000 0.000 3.648) 3.648 3.505 ( 0.000 0.000 5.798) 5.798 3.584 ( 0.000 0.000 -6.384) 6.384 3.817 ( 0.000 0.000 -8.495) 8.495 4.091 ( 0.000 0.000 -7.867) 7.867 4.414 ( 0.000 0.000 19.750) 19.750 4.449 ( 0.000 0.000 -1.029) 1.029 4.934 ( 0.000 0.000 2.121) 2.121 4.990 ( 0.000 0.000 -7.787) 7.787 5.078 ( 0.000 0.000 16.425) 16.425 5.268 ( 0.000 0.000 -4.252) 4.252 5.500 ( 0.000 0.000 12.841) 12.841 6.379 ( 0.000 0.000 -7.555) 7.555 6.805 ( 0.000 0.000 -5.231) 5.231 6.973 ( 0.000 0.000 -9.659) 9.659 7.197 ( 0.000 0.000 1.480) 1.480 7.253 ( 0.000 0.000 -14.128) 14.128 7.392 ( 0.000 0.000 -15.962) 15.962 7.621 ( 0.000 0.000 -1.546) 1.546 7.681 ( 0.000 0.000 -5.737) 5.737 7.753 ( 0.000 0.000 8.345) 8.345 8.106 ( 0.000 0.000 -4.766) 4.766 8.134 ( 0.000 0.000 1.155) 1.155 8.771 ( 0.000 0.000 -18.012) 18.012 8.979 ( 0.000 0.000 17.337) 17.337 9.688 ( 0.000 0.000 1.973) 1.973 10.486 ( 0.000 0.000 6.889) 6.889 11.487 ( 0.000 0.000 -4.868) 4.868 12.741 ( 0.000 0.000 4.813) 4.813 12.866 ( 0.000 0.000 5.048) 5.048 13.342 ( 0.000 0.000 3.616) 3.616 13.525 ( 0.000 0.000 -4.996) 4.996 14.117 ( 0.000 0.000 3.603) 3.603 14.628 ( 0.000 0.000 1.447) 1.447 14.751 ( 0.000 0.000 -11.567) 11.567 14.819 ( 0.000 0.000 7.734) 7.734 15.073 ( 0.000 0.000 -7.126) 7.126 15.083 ( 0.000 0.000 -7.193) 7.193 15.819 ( 0.000 0.000 -1.456) 1.456 16.035 ( 0.000 0.000 -1.045) 1.045 16.338 ( 0.000 0.000 0.762) 0.762 16.455 ( 0.000 0.000 -0.172) 0.172 16.664 ( 0.000 0.000 -6.992) 6.992 16.826 ( 0.000 0.000 6.382) 6.382 17.076 ( 0.000 0.000 -0.419) 0.419 17.114 ( 0.000 0.000 3.837) 3.837 17.172 ( 0.000 0.000 3.996) 3.996 17.203 ( 0.000 0.000 0.814) 0.814 17.765 ( 0.000 0.000 -0.129) 0.129 17.780 ( 0.000 0.000 -5.468) 5.468 17.800 ( 0.000 0.000 -1.287) 1.287 18.181 ( 0.000 0.000 1.190) 1.190 18.237 ( 0.000 0.000 -0.706) 0.706 18.390 ( 0.000 0.000 -8.333) 8.333 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 18.698 0.000 15.428) 24.241 1.189 ( -5.487 0.000 31.465) 31.940 2.224 ( 0.192 0.000 11.656) 11.658 2.542 ( 34.181 0.000 39.419) 52.175 2.795 ( 2.473 0.000 -4.000) 4.703 2.931 ( -1.281 0.000 -17.422) 17.469 3.207 ( -0.760 0.000 4.183) 4.252 3.464 ( -3.205 0.000 1.467) 3.524 3.568 ( -1.846 0.000 -6.459) 6.718 3.913 ( 6.975 0.000 -5.305) 8.764 4.057 ( -2.895 0.000 -6.956) 7.534 4.216 ( -7.844 0.000 9.234) 12.116 4.500 ( -2.912 0.000 0.317) 2.929 4.836 ( -7.648 0.000 1.439) 7.782 4.857 ( -14.941 0.000 1.286) 14.996 4.997 ( -8.521 0.000 -2.930) 9.011 5.367 ( 23.647 0.000 20.430) 31.250 5.740 ( 10.349 0.000 6.222) 12.075 6.311 ( -5.875 0.000 -7.538) 9.557 6.743 ( -6.715 0.000 -5.207) 8.497 6.932 ( -5.889 0.000 -13.185) 14.440 7.159 ( -10.569 0.000 -15.996) 19.173 7.180 ( -1.614 0.000 1.341) 2.099 7.348 ( -3.247 0.000 -9.764) 10.289 7.537 ( -5.536 0.000 -1.253) 5.676 7.630 ( 0.536 0.000 -2.153) 2.219 7.946 ( 11.481 0.000 5.395) 12.686 8.013 ( -8.482 0.000 -3.409) 9.141 8.190 ( 5.116 0.000 1.057) 5.224 8.479 ( -18.724 0.000 -4.669) 19.297 9.230 ( 15.158 0.000 4.629) 15.849 9.747 ( 4.895 0.000 1.476) 5.113 10.494 ( 0.982 0.000 6.516) 6.589 11.453 ( -3.681 0.000 -4.169) 5.561 12.777 ( 3.448 0.000 3.798) 5.130 12.842 ( -1.919 0.000 3.632) 4.108 13.425 ( 0.152 0.000 0.661) 0.678 13.509 ( 6.801 0.000 -2.834) 7.368 14.199 ( 7.965 0.000 5.903) 9.914 14.605 ( -13.340 0.000 -15.142) 20.180 14.660 ( 3.284 0.000 1.546) 3.630 14.765 ( -4.893 0.000 3.986) 6.311 15.117 ( 2.946 0.000 -2.583) 3.918 15.149 ( 4.721 0.000 -6.810) 8.286 15.814 ( -0.318 0.000 -1.660) 1.690 16.007 ( -5.498 0.000 -4.481) 7.092 16.340 ( 0.279 0.000 0.897) 0.939 16.401 ( -1.212 0.000 5.170) 5.310 16.694 ( 2.791 0.000 -6.243) 6.838 16.841 ( 1.086 0.000 7.830) 7.905 17.073 ( -3.418 0.000 4.044) 5.295 17.107 ( 2.067 0.000 -1.608) 2.619 17.189 ( 0.881 0.000 3.237) 3.355 17.220 ( 1.652 0.000 1.519) 2.244 17.682 ( -7.067 0.000 -2.615) 7.536 17.763 ( -0.197 0.000 -0.169) 0.260 17.805 ( 0.378 0.000 -0.791) 0.877 18.180 ( -0.064 0.000 1.027) 1.029 18.229 ( -0.762 0.000 -0.645) 0.998 18.437 ( 2.068 0.000 -10.822) 11.018 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 24.979 0.000 11.531) 27.512 1.378 ( 22.497 0.000 12.890) 25.928 2.238 ( 1.312 0.000 10.092) 10.177 2.767 ( 0.845 0.000 -5.753) 5.815 2.885 ( -3.039 0.000 -11.923) 12.305 3.210 ( 5.428 0.000 7.080) 8.921 3.246 ( 16.589 0.000 12.979) 21.063 3.462 ( 13.127 0.000 9.418) 16.156 3.502 ( -5.047 0.000 -5.833) 7.713 3.906 ( -6.929 0.000 -8.987) 11.348 4.097 ( 5.727 0.000 1.271) 5.867 4.202 ( 4.511 0.000 -2.589) 5.201 4.394 ( -5.095 0.000 -2.312) 5.595 4.637 ( -12.587 0.000 2.069) 12.756 4.659 ( -4.405 0.000 -0.798) 4.477 4.875 ( -4.621 0.000 -2.590) 5.298 5.838 ( 20.772 0.000 14.862) 25.541 5.867 ( 4.524 0.000 9.186) 10.240 6.222 ( -0.019 0.000 -2.545) 2.546 6.562 ( -11.308 0.000 -6.129) 12.862 6.718 ( -15.854 0.000 -13.493) 20.818 6.855 ( -19.574 0.000 -19.487) 27.620 7.080 ( -9.479 0.000 -7.566) 12.128 7.347 ( 3.058 0.000 4.133) 5.142 7.484 ( -1.808 0.000 0.995) 2.064 7.605 ( -4.675 0.000 -3.314) 5.730 7.840 ( -7.517 0.000 -1.211) 7.614 8.145 ( -15.026 0.000 -4.688) 15.740 8.153 ( 9.727 0.000 5.591) 11.220 8.300 ( 5.760 0.000 2.002) 6.098 9.499 ( 12.627 0.000 4.417) 13.377 9.840 ( 4.453 0.000 2.858) 5.291 10.530 ( 2.876 0.000 5.379) 6.100 11.342 ( -7.754 0.000 -2.324) 8.095 12.825 ( 0.900 0.000 0.731) 1.159 12.871 ( 6.301 0.000 2.981) 6.971 13.335 ( -5.430 0.000 -2.075) 5.814 13.772 ( 15.232 0.000 -2.686) 15.467 14.264 ( -17.489 0.000 -13.340) 21.996 14.417 ( 10.028 0.000 6.138) 11.758 14.656 ( -5.861 0.000 -3.181) 6.668 14.751 ( 5.992 0.000 2.530) 6.504 15.151 ( 0.362 0.000 2.748) 2.772 15.205 ( 0.606 0.000 -4.643) 4.682 15.757 ( -9.260 0.000 -1.584) 9.395 15.860 ( -4.064 0.000 -3.466) 5.341 16.357 ( 1.682 0.000 1.470) 2.234 16.468 ( 6.576 0.000 7.783) 10.189 16.751 ( 2.321 0.000 -3.104) 3.876 16.857 ( 0.507 0.000 8.317) 8.333 17.004 ( -3.063 0.000 2.818) 4.162 17.140 ( 1.452 0.000 1.223) 1.899 17.194 ( -0.428 0.000 1.919) 1.966 17.242 ( -0.245 0.000 2.705) 2.716 17.591 ( -1.254 0.000 -4.091) 4.279 17.761 ( 0.026 0.000 -0.108) 0.111 17.810 ( 0.117 0.000 0.122) 0.169 18.179 ( -0.041 0.000 0.609) 0.610 18.210 ( -1.101 0.000 -0.475) 1.199 18.410 ( -4.939 0.000 -9.975) 11.131 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 23.200 0.000 8.580) 24.736 1.897 ( 28.261 0.000 2.895) 28.409 2.272 ( 2.036 0.000 7.741) 8.005 2.783 ( 0.256 0.000 -7.915) 7.919 2.851 ( 0.653 0.000 -7.516) 7.545 3.155 ( -4.983 0.000 -5.282) 7.261 3.378 ( 2.581 0.000 -2.620) 3.678 3.383 ( -7.318 0.000 -5.843) 9.364 3.761 ( -5.139 0.000 -6.581) 8.350 3.943 ( 15.375 0.000 13.832) 20.681 4.139 ( -8.592 0.000 -3.497) 9.276 4.213 ( 11.086 0.000 10.738) 15.434 4.304 ( -13.970 0.000 1.918) 14.101 4.625 ( 19.342 0.000 -9.629) 21.606 4.626 ( -0.931 0.000 -1.280) 1.583 4.891 ( 8.829 0.000 -4.942) 10.118 5.941 ( -6.888 0.000 -8.500) 10.940 5.974 ( 7.736 0.000 10.938) 13.397 6.324 ( -12.992 0.000 -10.564) 16.745 6.338 ( -23.451 0.000 -12.080) 26.379 6.435 ( -2.146 0.000 -5.130) 5.561 6.535 ( 8.059 0.000 1.805) 8.258 6.836 ( -15.484 0.000 -5.120) 16.308 7.396 ( 0.492 0.000 5.647) 5.669 7.414 ( -6.160 0.000 4.419) 7.581 7.456 ( -8.337 0.000 -2.870) 8.818 7.755 ( -1.693 0.000 -1.782) 2.458 7.933 ( -6.806 0.000 -5.327) 8.643 8.313 ( 6.797 0.000 5.123) 8.511 8.396 ( 3.817 0.000 3.433) 5.134 9.712 ( 9.423 0.000 5.493) 10.907 9.909 ( 2.392 0.000 4.950) 5.498 10.611 ( 5.722 0.000 3.988) 6.974 11.163 ( -10.548 0.000 -0.362) 10.554 12.901 ( 7.449 0.000 -2.642) 7.903 13.006 ( 7.020 0.000 1.752) 7.236 13.246 ( -3.740 0.000 -1.660) 4.092 13.866 ( -21.804 0.000 -14.749) 26.323 14.035 ( 11.699 0.000 -4.893) 12.681 14.547 ( -5.697 0.000 -10.821) 12.229 14.651 ( 12.373 0.000 11.875) 17.150 14.879 ( 6.769 0.000 3.241) 7.505 15.126 ( -3.019 0.000 6.556) 7.218 15.176 ( -3.229 0.000 -1.211) 3.448 15.570 ( -6.622 0.000 1.895) 6.888 15.802 ( -4.142 0.000 -1.765) 4.503 16.410 ( 3.879 0.000 2.642) 4.693 16.610 ( 7.611 0.000 7.551) 10.721 16.740 ( -3.872 0.000 3.357) 5.124 16.860 ( -0.308 0.000 7.742) 7.749 16.990 ( 1.989 0.000 -1.508) 2.496 17.158 ( 0.252 0.000 4.581) 4.588 17.172 ( -1.874 0.000 0.436) 1.925 17.203 ( -3.098 0.000 4.046) 5.096 17.648 ( 6.715 0.000 -6.372) 9.257 17.765 ( 0.465 0.000 0.069) 0.470 17.807 ( -0.432 0.000 0.718) 0.838 18.178 ( -0.070 0.000 0.131) 0.148 18.191 ( -0.813 0.000 -0.243) 0.849 18.263 ( -9.891 0.000 -7.733) 12.556 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 11.138 0.000 5.744) 12.532 2.296 ( -0.511 0.000 5.633) 5.656 2.389 ( 21.642 0.000 0.642) 21.651 2.703 ( -10.368 0.000 -2.673) 10.707 2.954 ( 10.645 0.000 -4.680) 11.628 3.140 ( 5.028 0.000 -13.112) 14.043 3.200 ( -12.210 0.000 -5.081) 13.225 3.302 ( -9.255 0.000 -13.413) 16.296 3.788 ( 7.169 0.000 2.915) 7.739 3.944 ( -7.252 0.000 4.263) 8.412 4.008 ( -3.083 0.000 -0.804) 3.187 4.063 ( -8.691 0.000 1.578) 8.833 4.484 ( 9.962 0.000 10.778) 14.676 4.594 ( -2.833 0.000 4.875) 5.639 5.099 ( 27.482 0.000 -15.358) 31.483 5.256 ( 27.367 0.000 -8.596) 28.685 5.622 ( -24.885 0.000 -14.798) 28.952 5.824 ( -29.312 0.000 -10.743) 31.219 6.176 ( -0.720 0.000 -14.674) 14.692 6.188 ( 14.369 0.000 8.978) 16.943 6.247 ( -7.246 0.000 -14.821) 16.497 6.506 ( -17.819 0.000 2.536) 17.998 6.919 ( 19.348 0.000 13.418) 23.545 7.232 ( -12.920 0.000 8.869) 15.671 7.349 ( -2.240 0.000 -2.016) 3.014 7.361 ( -2.663 0.000 1.230) 2.933 7.775 ( 3.063 0.000 -2.534) 3.975 7.843 ( -3.710 0.000 -3.527) 5.119 8.411 ( 3.301 0.000 4.739) 5.775 8.438 ( 0.464 0.000 4.325) 4.350 9.857 ( 5.504 0.000 6.219) 8.305 9.922 ( -1.239 0.000 6.167) 6.290 10.754 ( 9.047 0.000 2.652) 9.428 10.951 ( -11.041 0.000 1.295) 11.116 13.116 ( 14.737 0.000 -6.628) 16.159 13.119 ( 4.524 0.000 0.518) 4.554 13.186 ( -2.815 0.000 -0.630) 2.884 13.456 ( -20.076 0.000 -11.036) 22.909 14.236 ( 9.769 0.000 -8.536) 12.973 14.415 ( -8.392 0.000 -12.920) 15.406 14.871 ( 10.140 0.000 11.938) 15.663 14.995 ( 5.306 0.000 3.365) 6.283 15.033 ( -6.662 0.000 9.707) 11.773 15.094 ( -4.985 0.000 1.798) 5.299 15.555 ( 4.653 0.000 2.626) 5.342 15.687 ( -7.406 0.000 0.573) 7.428 16.506 ( 5.970 0.000 4.205) 7.302 16.631 ( -6.663 0.000 5.199) 8.452 16.746 ( 6.111 0.000 6.654) 9.034 16.834 ( -2.835 0.000 6.903) 7.462 17.054 ( 3.824 0.000 -2.066) 4.347 17.123 ( -3.176 0.000 -0.944) 3.314 17.150 ( -0.651 0.000 4.999) 5.041 17.156 ( -1.314 0.000 5.613) 5.765 17.778 ( 0.832 0.000 0.379) 0.915 17.795 ( -0.837 0.000 0.713) 1.100 17.824 ( 10.966 0.000 -6.205) 12.600 18.049 ( -11.861 0.000 -6.345) 13.452 18.177 ( 0.024 0.000 -0.131) 0.134 18.180 ( -0.338 0.000 -0.118) 0.358 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 33.756 11.715) 35.731 1.509 ( 0.000 11.828 30.012) 32.259 2.133 ( 0.000 8.279 45.467) 46.215 2.261 ( 0.000 2.613 13.255) 13.510 2.768 ( 0.000 -0.389 -3.536) 3.557 3.003 ( 0.000 5.565 -16.083) 17.018 3.136 ( 0.000 -8.358 4.236) 9.370 3.490 ( 0.000 -1.000 3.459) 3.601 3.595 ( 0.000 -0.144 -4.248) 4.251 3.847 ( 0.000 2.808 -8.335) 8.796 3.991 ( 0.000 -8.411 -5.407) 9.999 4.384 ( 0.000 -2.983 17.419) 17.672 4.697 ( 0.000 21.381 -2.798) 21.563 4.877 ( 0.000 -4.357 -4.227) 6.071 5.070 ( 0.000 -8.557 7.991) 11.708 5.161 ( 0.000 -1.171 4.931) 5.068 5.172 ( 0.000 16.865 -0.660) 16.878 5.492 ( 0.000 -0.640 12.624) 12.640 6.365 ( 0.000 -1.338 -7.370) 7.490 6.885 ( 0.000 6.990 -9.051) 11.436 6.934 ( 0.000 -5.535 -3.970) 6.812 7.047 ( 0.000 -21.007 -6.351) 21.946 7.123 ( 0.000 -6.075 -4.113) 7.336 7.254 ( 0.000 -3.637 -14.270) 14.726 7.541 ( 0.000 -6.537 -2.076) 6.859 7.643 ( 0.000 -3.870 -6.168) 7.282 7.880 ( 0.000 0.821 -6.061) 6.116 8.087 ( 0.000 -4.374 -1.483) 4.619 8.286 ( 0.000 18.403 0.010) 18.403 8.798 ( 0.000 2.425 -14.128) 14.335 8.992 ( 0.000 1.574 17.531) 17.601 9.682 ( 0.000 -1.114 2.490) 2.728 10.650 ( 0.000 16.426 5.738) 17.399 11.600 ( 0.000 11.458 -5.868) 12.874 12.673 ( 0.000 -6.692 5.021) 8.366 12.899 ( 0.000 3.128 5.178) 6.050 13.327 ( 0.000 -1.813 3.681) 4.104 13.429 ( 0.000 -9.067 -3.926) 9.880 14.164 ( 0.000 4.341 3.774) 5.753 14.623 ( 0.000 -0.838 2.746) 2.871 14.768 ( 0.000 2.826 -10.715) 11.081 14.889 ( 0.000 6.401 5.694) 8.567 14.973 ( 0.000 -4.149 -10.122) 10.940 15.220 ( 0.000 8.235 -4.885) 9.575 15.806 ( 0.000 -1.241 -1.398) 1.869 15.990 ( 0.000 -3.828 -0.169) 3.832 16.353 ( 0.000 0.727 0.152) 0.742 16.377 ( 0.000 -7.841 0.935) 7.896 16.692 ( 0.000 2.636 -6.838) 7.329 16.742 ( 0.000 -7.653 6.205) 9.852 17.052 ( 0.000 -2.087 0.271) 2.105 17.127 ( 0.000 0.944 3.261) 3.395 17.141 ( 0.000 -2.309 2.513) 3.413 17.242 ( 0.000 2.963 2.019) 3.585 17.684 ( 0.000 -10.647 1.432) 10.743 17.714 ( 0.000 -4.820 -3.632) 6.035 17.808 ( 0.000 3.044 -0.484) 3.082 18.164 ( 0.000 -0.801 0.587) 0.993 18.296 ( 0.000 5.411 -2.347) 5.898 18.487 ( 0.000 6.790 -12.235) 13.993 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -7.096 13.744 26.693) 30.850 1.321 ( 11.421 26.393 13.256) 31.666 2.260 ( 0.288 2.595 12.580) 12.848 2.606 ( 32.733 7.156 35.074) 48.506 2.774 ( 2.203 -1.237 -2.579) 3.610 2.942 ( -4.239 -0.682 -11.550) 12.322 3.179 ( 2.748 -1.615 2.107) 3.821 3.464 ( -1.774 0.514 -0.411) 1.892 3.568 ( -2.700 -0.721 -4.165) 5.016 3.897 ( 0.399 -4.112 -6.937) 8.074 3.970 ( 2.602 -2.538 -3.313) 4.918 4.305 ( -4.334 4.321 9.266) 11.104 4.695 ( -3.438 18.618 -4.226) 19.399 4.743 ( -11.159 -6.225 -1.410) 12.855 4.883 ( -11.750 -3.060 0.185) 12.144 5.131 ( -4.392 16.708 -1.170) 17.315 5.373 ( 20.955 0.563 19.210) 28.433 5.668 ( 10.313 -5.634 9.526) 15.127 6.301 ( -5.565 -0.999 -7.480) 9.376 6.779 ( -9.154 2.717 -7.206) 11.962 6.926 ( -4.431 -0.818 -10.161) 11.115 7.017 ( -2.383 -16.828 -5.028) 17.724 7.127 ( -3.628 -6.746 -6.705) 10.180 7.156 ( -5.351 -7.873 -8.477) 12.747 7.495 ( -4.640 -4.094 -3.052) 6.900 7.605 ( -1.639 -4.962 -3.859) 6.496 7.889 ( -3.000 -5.445 -6.021) 8.655 8.065 ( -2.356 -5.040 -1.008) 5.654 8.305 ( 2.580 18.135 1.292) 18.363 8.596 ( -9.854 10.175 -0.799) 14.187 9.221 ( 14.331 -0.992 5.656) 15.439 9.733 ( 4.357 -1.862 2.330) 5.280 10.659 ( 1.036 16.546 5.408) 17.438 11.570 ( -3.325 11.897 -5.107) 13.367 12.697 ( 2.099 -7.489 4.064) 8.776 12.883 ( -0.940 3.366 3.645) 5.050 13.372 ( -3.759 -6.305 -1.214) 7.440 13.451 ( 10.439 -4.861 0.043) 11.516 14.233 ( 6.743 3.198 5.802) 9.453 14.609 ( -7.839 -0.442 -7.131) 10.606 14.687 ( -1.155 3.441 -5.009) 6.186 14.807 ( -5.041 4.409 0.208) 6.701 15.069 ( 5.764 -1.301 -3.749) 6.998 15.243 ( 1.451 6.535 -3.430) 7.522 15.799 ( -0.595 -1.503 -1.290) 2.069 15.971 ( -4.367 -3.126 -3.449) 6.383 16.328 ( -0.995 -5.834 3.970) 7.127 16.360 ( 0.639 -0.104 1.665) 1.786 16.709 ( 1.652 -0.570 -3.486) 3.900 16.774 ( 2.420 -4.264 5.179) 7.132 17.064 ( -0.558 -1.638 1.615) 2.367 17.084 ( -1.592 -1.404 1.536) 2.620 17.173 ( 1.882 -1.070 2.126) 3.034 17.252 ( 0.696 2.632 2.111) 3.445 17.596 ( -5.430 -7.886 -0.669) 9.598 17.755 ( 1.583 -5.224 -1.288) 5.608 17.801 ( -0.367 3.523 -0.155) 3.545 18.169 ( 0.312 -0.785 0.490) 0.977 18.270 ( -2.117 4.428 -1.870) 5.252 18.497 ( -0.303 4.361 -11.885) 12.664 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 19.414 6.264 12.692) 24.026 1.630 ( 18.911 19.853 9.466) 29.006 2.275 ( 1.439 3.004 10.533) 11.047 2.743 ( 0.014 -1.811 -6.326) 6.580 2.869 ( -3.497 -2.485 -7.568) 8.700 3.200 ( 5.731 -1.306 6.941) 9.095 3.249 ( 13.086 -0.272 8.549) 15.633 3.439 ( -2.210 0.416 -2.099) 3.076 3.568 ( 12.122 4.920 5.977) 14.383 3.855 ( -3.115 -3.732 -7.702) 9.108 4.079 ( 5.401 -0.523 -0.607) 5.460 4.305 ( 5.665 6.840 -0.429) 8.891 4.541 ( -9.342 0.447 -2.937) 9.803 4.560 ( -8.874 11.574 -3.607) 15.024 4.733 ( -3.572 0.465 -0.656) 3.662 5.013 ( -6.868 16.859 0.058) 18.204 5.794 ( 13.213 -4.073 13.299) 19.185 5.846 ( 14.493 -1.314 12.635) 19.272 6.213 ( -0.857 -0.732 -3.688) 3.856 6.566 ( -12.393 0.200 -7.013) 14.241 6.715 ( -16.596 -0.142 -12.813) 20.967 6.850 ( -17.294 -0.653 -17.901) 24.899 6.958 ( -5.480 -12.224 -7.010) 15.120 7.207 ( 4.127 -12.945 4.589) 14.341 7.406 ( -4.493 -4.147 0.212) 6.119 7.559 ( -4.383 -7.228 -2.938) 8.949 7.746 ( -9.261 -7.886 -2.299) 12.379 7.956 ( -8.726 -10.389 -3.750) 14.076 8.390 ( 5.941 17.420 3.664) 18.766 8.532 ( 1.902 16.952 1.872) 17.161 9.477 ( 12.125 -2.350 4.787) 13.246 9.819 ( 4.139 -2.613 3.451) 5.989 10.695 ( 2.839 16.649 4.431) 17.461 11.467 ( -7.340 12.776 -3.161) 15.069 12.744 ( 2.743 -7.933 2.599) 8.787 12.904 ( 3.804 2.663 0.678) 4.693 13.277 ( -5.112 -5.933 -1.740) 8.022 13.706 ( 14.046 -6.463 -1.728) 15.558 14.303 ( -15.325 3.713 -11.444) 19.483 14.424 ( 7.427 0.705 5.049) 9.008 14.703 ( -5.846 4.740 -5.697) 9.439 14.761 ( 6.009 1.199 2.482) 6.611 15.148 ( 2.094 0.304 0.231) 2.128 15.248 ( -1.182 3.847 -1.252) 4.215 15.734 ( -8.303 -2.061 -0.462) 8.568 15.859 ( -3.161 0.016 -2.953) 4.326 16.361 ( 2.375 -1.165 1.785) 3.191 16.419 ( 6.236 -3.683 7.091) 10.136 16.742 ( 1.456 -5.013 2.141) 5.642 16.813 ( 0.973 -0.020 3.553) 3.684 17.011 ( -2.556 0.565 2.648) 3.724 17.088 ( 0.207 -4.509 1.624) 4.797 17.203 ( 0.885 -0.791 2.126) 2.435 17.250 ( -1.145 1.887 2.009) 2.984 17.529 ( -0.595 -5.875 -3.334) 6.781 17.770 ( 0.194 -3.459 -0.380) 3.485 17.804 ( 0.621 3.143 0.006) 3.204 18.173 ( 0.116 -0.542 0.156) 0.576 18.226 ( -2.457 2.263 -1.369) 3.610 18.443 ( -5.310 2.432 -9.495) 11.148 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 26.814 2.300 3.655) 27.159 2.003 ( 18.549 10.591 6.516) 22.331 2.314 ( 2.338 3.583 7.828) 8.920 2.777 ( 1.515 -0.346 -8.301) 8.445 2.804 ( -0.845 -4.717 -4.731) 6.734 3.166 ( -4.393 0.183 -4.538) 6.319 3.309 ( -4.910 -6.118 -6.305) 10.065 3.383 ( -1.639 -0.255 -3.265) 3.662 3.764 ( -2.388 1.177 -4.309) 5.066 3.969 ( 9.405 3.036 8.222) 12.856 4.162 ( 4.228 -1.546 5.448) 7.067 4.290 ( -10.303 5.265 0.222) 11.572 4.423 ( 0.004 16.621 1.880) 16.727 4.615 ( 19.047 1.401 -8.282) 20.817 4.763 ( 4.554 7.954 -4.566) 10.240 4.933 ( 2.571 8.630 -0.849) 9.045 5.938 ( 2.455 -0.347 2.746) 3.699 5.966 ( -0.966 0.532 -0.653) 1.281 6.276 ( -20.346 -3.687 -11.724) 23.769 6.355 ( -14.027 2.049 -12.214) 18.711 6.450 ( 17.370 -3.473 11.977) 21.383 6.527 ( -12.783 2.431 -12.897) 18.321 6.810 ( -9.671 -3.848 -4.767) 11.448 7.223 ( -4.411 -13.095 1.103) 13.862 7.324 ( -3.874 -7.240 5.543) 9.907 7.430 ( -7.183 -7.158 -1.309) 10.225 7.615 ( -3.553 -11.081 0.106) 11.637 7.800 ( -6.402 -11.362 -3.405) 13.478 8.508 ( 5.756 16.247 4.028) 17.701 8.591 ( 3.021 16.852 2.603) 17.317 9.683 ( 9.133 -3.194 5.473) 11.117 9.881 ( 2.094 -3.145 5.000) 6.267 10.773 ( 5.426 16.368 3.317) 17.560 11.296 ( -10.121 13.598 -1.088) 16.986 12.819 ( 5.474 -8.452 0.126) 10.071 13.014 ( 6.184 -0.706 -2.460) 6.692 13.198 ( -2.166 -3.414 -0.719) 4.107 13.902 ( -10.858 0.971 -11.646) 15.952 13.987 ( 2.288 -2.350 -6.090) 6.917 14.571 ( -6.509 0.668 -9.998) 11.948 14.633 ( 10.104 0.116 8.373) 13.123 14.884 ( 5.807 0.542 4.036) 7.092 15.150 ( -1.649 2.394 4.677) 5.507 15.200 ( -3.459 1.902 0.450) 3.973 15.583 ( -4.604 1.806 3.080) 5.826 15.809 ( -3.610 0.957 -1.212) 3.926 16.421 ( 4.166 0.662 2.468) 4.887 16.560 ( 7.522 -4.782 7.545) 11.678 16.757 ( -0.824 -2.948 3.789) 4.871 16.780 ( -3.522 -3.117 7.118) 8.532 17.003 ( 1.441 0.530 -0.516) 1.620 17.082 ( -0.789 -5.078 3.240) 6.075 17.183 ( -2.462 -1.636 3.508) 4.587 17.230 ( -0.795 3.435 1.389) 3.790 17.580 ( 5.269 -5.793 -5.047) 9.316 17.769 ( -0.335 -3.324 0.104) 3.342 17.824 ( 1.671 4.011 -0.432) 4.367 18.162 ( -2.811 -0.381 -1.811) 3.365 18.184 ( -0.769 0.019 -0.285) 0.820 18.310 ( -7.476 2.924 -5.939) 9.985 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 9.311 5.817 4.590) 11.900 2.332 ( 3.946 2.717 4.059) 6.279 2.389 ( 16.669 0.389 1.621) 16.752 2.672 ( -9.586 -3.204 -1.563) 10.228 2.945 ( 10.601 -0.770 -4.945) 11.723 3.125 ( 2.295 -1.567 -11.403) 11.737 3.156 ( -9.865 -4.287 -5.543) 12.101 3.272 ( -9.594 -2.919 -11.676) 15.392 3.809 ( 6.477 2.747 3.022) 7.657 3.942 ( -5.924 1.448 3.090) 6.837 4.106 ( -4.519 6.286 0.089) 7.742 4.122 ( -5.793 4.367 1.410) 7.390 4.606 ( 9.643 13.963 7.508) 18.556 4.730 ( -3.830 14.754 3.204) 15.577 5.095 ( 26.619 -0.165 -14.949) 30.530 5.254 ( 26.168 0.116 -7.657) 27.266 5.626 ( -24.824 0.355 -14.752) 28.879 5.804 ( -27.094 -1.801 -10.379) 29.070 6.120 ( 7.383 -1.260 -0.713) 7.524 6.215 ( -2.709 1.764 -13.691) 14.068 6.344 ( 0.249 7.238 -3.350) 7.979 6.535 ( -13.433 1.968 0.923) 13.608 6.881 ( 17.385 -3.583 12.905) 21.946 7.117 ( -6.236 -11.645 3.022) 13.551 7.231 ( -3.397 -11.808 -0.219) 12.289 7.283 ( -8.169 -6.214 4.058) 11.037 7.624 ( 3.420 -13.337 -0.338) 13.772 7.702 ( -4.371 -13.013 -1.548) 13.814 8.596 ( 3.150 16.015 3.730) 16.742 8.625 ( 0.249 16.334 3.266) 16.659 9.824 ( 5.436 -3.588 5.989) 8.848 9.890 ( -1.376 -3.540 5.905) 7.021 10.907 ( 8.486 15.574 2.117) 17.861 11.093 ( -10.482 14.523 0.682) 17.923 12.945 ( 6.772 -11.350 -1.649) 13.319 13.046 ( -3.095 -10.657 -2.799) 11.445 13.274 ( 10.322 7.276 -3.598) 13.131 13.549 ( -17.580 7.866 -9.487) 21.469 14.183 ( 11.129 -5.546 -7.692) 14.621 14.397 ( -10.629 -2.465 -11.963) 16.192 14.831 ( 8.963 -2.101 8.786) 12.725 14.940 ( -1.232 -1.885 5.120) 5.593 15.110 ( -1.015 4.278 7.168) 8.409 15.135 ( -2.851 2.597 3.308) 5.081 15.589 ( 4.532 3.799 3.302) 6.773 15.708 ( -6.556 2.480 1.127) 7.100 16.523 ( 6.275 1.502 4.099) 7.644 16.653 ( -6.768 2.096 5.169) 8.770 16.688 ( 5.204 -5.791 6.693) 10.267 16.756 ( -1.725 -7.812 6.706) 10.439 17.030 ( 1.115 -3.224 0.964) 3.545 17.058 ( -1.681 -4.170 2.288) 5.045 17.164 ( 1.109 1.470 2.635) 3.215 17.202 ( -2.110 3.380 1.858) 4.396 17.691 ( 4.950 -6.495 -2.769) 8.623 17.751 ( -1.704 -4.501 -0.298) 4.822 17.890 ( 5.945 4.376 -2.506) 7.796 18.044 ( -8.659 0.736 -4.148) 9.630 18.186 ( 0.551 0.503 -0.452) 0.872 18.211 ( -2.507 2.170 -1.532) 3.652 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 16.494 19.808) 25.776 1.808 ( 0.000 18.614 23.837) 30.244 2.249 ( 0.000 -4.740 16.615) 17.278 2.434 ( 0.000 21.998 24.003) 32.558 2.832 ( 0.000 7.116 -2.848) 7.664 2.932 ( 0.000 -12.997 7.086) 14.803 3.112 ( 0.000 5.881 -6.852) 9.029 3.487 ( 0.000 0.470 -1.634) 1.700 3.547 ( 0.000 -4.929 -1.567) 5.172 3.761 ( 0.000 -10.860 -3.230) 11.331 3.980 ( 0.000 6.980 -6.319) 9.415 4.311 ( 0.000 -4.328 11.244) 12.048 4.770 ( 0.000 -6.766 -3.162) 7.469 4.797 ( 0.000 -13.894 4.413) 14.578 5.088 ( 0.000 14.643 6.030) 15.836 5.309 ( 0.000 15.948 2.576) 16.155 5.423 ( 0.000 -0.366 11.624) 11.630 5.647 ( 0.000 25.565 0.760) 25.576 6.333 ( 0.000 -2.057 -6.456) 6.775 6.688 ( 0.000 -15.649 -3.729) 16.087 6.706 ( 0.000 -17.246 5.398) 18.071 7.020 ( 0.000 5.695 -12.319) 13.572 7.053 ( 0.000 -1.195 -13.866) 13.917 7.185 ( 0.000 -3.385 -15.697) 16.058 7.325 ( 0.000 -15.915 -1.332) 15.971 7.541 ( 0.000 -6.682 -7.516) 10.057 7.862 ( 0.000 -0.822 -10.096) 10.130 7.993 ( 0.000 -5.029 -5.752) 7.641 8.632 ( 0.000 15.450 2.770) 15.697 8.845 ( 0.000 2.142 -6.456) 6.802 9.057 ( 0.000 6.036 14.442) 15.653 9.623 ( 0.000 -5.553 3.444) 6.534 11.057 ( 0.000 24.815 3.521) 25.064 11.870 ( 0.000 14.085 -8.006) 16.201 12.517 ( 0.000 -7.857 5.992) 9.881 12.977 ( 0.000 4.940 5.166) 7.148 13.199 ( 0.000 -13.846 -3.625) 14.313 13.280 ( 0.000 -4.203 4.346) 6.046 14.261 ( 0.000 5.600 4.229) 7.017 14.582 ( 0.000 -3.670 4.609) 5.892 14.854 ( 0.000 5.205 -12.629) 13.660 14.930 ( 0.000 -0.390 -12.306) 12.312 15.059 ( 0.000 12.038 4.778) 12.952 15.389 ( 0.000 9.446 -3.264) 9.994 15.775 ( 0.000 -2.022 -1.240) 2.372 15.919 ( 0.000 -3.308 1.048) 3.470 16.180 ( 0.000 -12.262 2.137) 12.447 16.274 ( 0.000 -11.475 1.989) 11.646 16.650 ( 0.000 1.212 2.864) 3.110 16.752 ( 0.000 3.434 -6.845) 7.658 17.005 ( 0.000 -2.743 0.575) 2.802 17.088 ( 0.000 -3.503 2.308) 4.195 17.147 ( 0.000 1.257 3.206) 3.443 17.306 ( 0.000 3.644 1.623) 3.989 17.458 ( 0.000 -11.876 3.525) 12.388 17.608 ( 0.000 -6.002 -1.947) 6.310 17.887 ( 0.000 4.973 0.006) 4.973 18.141 ( 0.000 -2.078 0.179) 2.085 18.411 ( 0.000 6.163 -5.168) 8.043 18.577 ( 0.000 2.390 -13.520) 13.729 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -7.892 14.800 25.599) 30.605 1.842 ( 5.660 22.880 9.527) 25.423 2.253 ( 0.821 -4.373 14.764) 15.420 2.783 ( 13.691 1.440 16.840) 21.751 2.811 ( 2.152 8.643 1.941) 9.116 2.859 ( 3.082 -2.370 1.719) 4.251 3.189 ( 4.231 2.762 -0.504) 5.078 3.486 ( 0.763 0.896 -3.309) 3.512 3.537 ( -0.602 -1.531 -0.471) 1.712 3.751 ( 0.114 -8.491 -4.161) 9.456 4.027 ( 4.340 5.961 -5.266) 9.061 4.336 ( 2.067 -1.081 8.154) 8.482 4.611 ( -10.409 -6.366 -1.677) 12.316 4.749 ( -4.738 -7.532 0.496) 8.912 5.121 ( -4.312 20.044 -5.808) 21.309 5.381 ( 13.778 0.322 16.208) 21.275 5.535 ( 3.538 16.369 5.534) 17.638 5.651 ( 4.008 13.622 7.615) 16.112 6.281 ( -4.408 -0.995 -7.229) 8.525 6.678 ( -1.369 -15.531 -4.270) 16.165 6.725 ( 0.235 -14.111 1.808) 14.228 6.897 ( -7.807 -0.850 -6.489) 10.187 7.003 ( -7.822 -0.204 -12.037) 14.356 7.090 ( -9.389 -2.456 -16.427) 19.080 7.325 ( 0.066 -14.999 -1.812) 15.108 7.468 ( -6.502 -7.796 -6.340) 11.968 7.805 ( -6.382 -2.594 -8.389) 10.855 7.938 ( -6.014 -6.658 -5.636) 10.596 8.645 ( 2.018 15.143 3.378) 15.646 8.817 ( 0.306 12.347 -0.404) 12.357 9.200 ( 10.890 -0.549 8.047) 13.552 9.659 ( 3.300 -6.218 3.567) 7.891 11.071 ( 1.464 25.255 3.277) 25.509 11.860 ( -1.548 16.150 -7.316) 17.797 12.516 ( 0.126 -10.105 5.166) 11.350 12.958 ( -1.510 3.741 2.696) 4.852 13.186 ( -2.037 -12.092 -2.033) 12.429 13.352 ( 7.800 -5.836 3.072) 10.214 14.307 ( 4.580 4.428 5.375) 8.335 14.571 ( -2.816 -3.330 1.020) 4.479 14.787 ( -3.951 6.232 -11.020) 13.262 14.907 ( -3.025 4.447 -9.644) 11.042 15.111 ( 4.303 7.064 1.542) 8.414 15.379 ( -1.388 7.509 -2.271) 7.966 15.762 ( -1.241 -2.215 -0.066) 2.540 15.916 ( -2.031 -2.091 -1.886) 3.472 16.158 ( 0.683 -10.892 5.439) 12.193 16.293 ( 1.984 -10.278 2.108) 10.678 16.638 ( -0.959 -0.056 4.132) 4.242 16.804 ( 4.274 3.795 -5.188) 7.720 17.002 ( -0.623 -4.248 0.720) 4.353 17.066 ( -2.160 -1.353 3.266) 4.142 17.158 ( 1.205 -0.265 1.904) 2.268 17.308 ( -0.230 2.714 1.528) 3.123 17.420 ( -2.394 -9.139 1.602) 9.582 17.634 ( 1.847 -6.823 -0.797) 7.113 17.886 ( 0.037 5.201 -0.023) 5.201 18.145 ( 0.326 -2.120 0.160) 2.151 18.376 ( -3.308 6.007 -4.711) 8.320 18.555 ( -2.560 1.392 -11.935) 12.286 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 13.255 11.625 11.935) 21.290 1.999 ( 10.045 16.314 7.232) 20.478 2.291 ( 3.294 -2.302 10.870) 11.589 2.715 ( -2.840 -3.777 -0.659) 4.772 2.802 ( -1.911 -0.637 -4.461) 4.895 3.141 ( 3.869 -5.179 2.341) 6.876 3.241 ( 1.369 0.485 -0.055) 1.453 3.466 ( -4.609 -0.045 -3.878) 6.023 3.682 ( 17.574 6.887 8.249) 20.600 3.809 ( 6.211 -0.393 -3.328) 7.058 4.109 ( 3.198 3.663 -3.412) 5.940 4.406 ( 6.323 1.443 1.604) 6.681 4.444 ( -6.737 -2.644 -3.661) 8.111 4.686 ( -0.301 -4.145 -0.999) 4.274 4.971 ( -8.218 23.320 -4.882) 25.203 5.466 ( -6.870 28.800 1.774) 29.662 5.734 ( 17.946 -2.499 15.803) 24.042 5.836 ( 13.094 1.793 12.872) 18.449 6.205 ( -2.655 0.257 -6.870) 7.369 6.551 ( -13.092 -2.597 -8.500) 15.824 6.672 ( -2.846 -14.524 -5.917) 15.939 6.725 ( -16.586 1.432 -11.357) 20.152 6.853 ( -11.228 -1.610 -11.307) 16.016 6.908 ( 0.795 -16.162 1.383) 16.241 7.309 ( -5.657 -7.763 -2.057) 9.823 7.333 ( -3.319 -16.011 -3.438) 16.709 7.612 ( -13.261 -4.737 -4.741) 14.858 7.775 ( -10.109 -8.054 -3.592) 13.415 8.722 ( 5.512 16.251 3.797) 17.575 8.867 ( 3.963 17.592 1.555) 18.100 9.409 ( 10.328 -4.622 5.869) 12.747 9.729 ( 3.505 -7.045 4.191) 8.915 11.113 ( 2.935 25.836 2.635) 26.135 11.792 ( -5.700 19.863 -5.117) 21.289 12.532 ( 1.760 -13.760 3.355) 14.272 12.936 ( -1.033 -2.444 -2.517) 3.657 13.146 ( -0.636 -4.657 0.895) 4.785 13.548 ( 11.567 -9.682 0.129) 15.085 14.382 ( -9.967 4.027 -6.582) 12.605 14.440 ( 2.712 0.876 2.809) 4.002 14.798 ( 4.128 2.718 -0.423) 4.960 14.812 ( -6.409 5.528 -10.076) 13.158 15.184 ( 2.581 3.914 0.882) 4.770 15.326 ( -4.160 3.624 -1.022) 5.611 15.706 ( -4.285 0.141 2.939) 5.198 15.870 ( -1.043 1.559 -1.191) 2.222 16.238 ( 6.073 -9.712 5.965) 12.915 16.355 ( 4.566 -8.169 3.523) 10.000 16.618 ( -1.117 -2.405 6.171) 6.717 16.874 ( 1.719 4.444 -1.271) 4.931 16.974 ( -2.189 -6.674 3.199) 7.718 17.026 ( -1.033 0.296 1.507) 1.851 17.178 ( 0.014 -1.294 2.115) 2.480 17.292 ( -0.409 1.060 -0.174) 1.149 17.408 ( 1.124 -5.022 -0.995) 5.242 17.661 ( 0.869 -6.927 0.070) 6.982 17.892 ( 0.710 5.437 -0.214) 5.487 18.151 ( 0.383 -2.046 -0.024) 2.082 18.298 ( -4.579 4.852 -3.640) 7.600 18.473 ( -5.847 0.422 -8.714) 10.502 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 22.284 4.894 2.697) 22.974 2.202 ( 10.283 7.920 4.480) 13.731 2.368 ( 4.006 1.801 7.613) 8.789 2.689 ( -2.106 -6.831 0.141) 7.149 2.790 ( 3.128 2.244 -7.821) 8.717 3.113 ( -3.779 -6.300 -4.963) 8.866 3.217 ( -4.313 -1.870 -4.457) 6.478 3.354 ( -6.540 -3.202 -4.975) 8.820 3.828 ( 2.147 5.525 -1.274) 6.063 4.042 ( 5.655 3.840 3.881) 7.860 4.149 ( 3.093 -0.144 1.915) 3.641 4.301 ( -7.569 -1.514 -1.105) 7.797 4.642 ( 16.720 2.431 -8.859) 19.078 4.795 ( 12.435 -1.701 -7.355) 14.547 4.919 ( 5.845 30.431 3.534) 31.188 5.325 ( -7.044 28.122 2.104) 29.067 5.973 ( 8.050 4.736 7.200) 11.793 6.001 ( -4.663 3.136 -3.862) 6.819 6.211 ( -21.854 -3.112 -12.673) 25.454 6.300 ( 14.683 -11.236 8.087) 20.180 6.415 ( -10.509 4.645 -11.489) 16.248 6.606 ( -11.534 3.684 -9.136) 15.168 6.659 ( 1.658 -10.380 -2.244) 10.748 6.929 ( -2.490 -18.737 2.081) 19.016 7.194 ( -2.560 -13.112 -0.157) 13.361 7.241 ( -12.429 -2.642 -0.263) 12.709 7.380 ( -5.883 -15.614 -0.075) 16.686 7.567 ( -11.158 -10.949 -0.475) 15.640 8.835 ( 5.770 17.096 3.791) 18.437 8.939 ( 2.940 18.675 2.474) 19.066 9.588 ( 8.086 -6.837 5.524) 11.943 9.780 ( 1.584 -7.597 4.871) 9.162 11.187 ( 4.877 25.780 1.916) 26.307 11.647 ( -8.912 22.258 -2.635) 24.120 12.586 ( 3.816 -15.922 1.176) 16.415 12.886 ( -4.316 -12.852 -4.282) 14.217 13.215 ( 7.919 5.309 -0.309) 9.539 13.775 ( 11.725 -10.580 -3.177) 16.109 14.072 ( -17.545 7.723 -11.001) 22.102 14.510 ( -4.091 -5.518 -2.702) 7.381 14.713 ( 1.571 6.350 -2.677) 7.068 14.900 ( 5.036 0.962 4.056) 6.538 15.201 ( -0.732 2.331 2.496) 3.492 15.226 ( -5.671 0.627 1.184) 5.827 15.660 ( 0.323 6.828 5.664) 8.877 15.853 ( -1.614 4.186 0.672) 4.537 16.357 ( 6.166 -8.940 4.431) 11.729 16.463 ( 5.949 -8.588 6.113) 12.104 16.599 ( -0.547 -3.453 6.553) 7.428 16.836 ( -4.881 4.102 3.746) 7.395 16.933 ( -1.653 -7.451 4.416) 8.818 17.031 ( -0.197 -0.943 0.164) 0.978 17.167 ( 0.498 0.644 1.295) 1.530 17.299 ( 0.060 3.648 0.446) 3.675 17.460 ( 4.316 -6.183 -3.377) 8.262 17.665 ( -0.556 -6.863 0.077) 6.886 17.918 ( 2.059 5.432 -0.707) 5.852 18.160 ( 0.504 -1.523 -0.520) 1.686 18.204 ( -5.158 3.082 -2.806) 6.631 18.345 ( -6.894 0.520 -5.296) 8.709 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 15.725 0.021 1.106) 15.764 2.368 ( 6.467 3.268 1.707) 7.445 2.423 ( 1.927 2.438 3.967) 5.039 2.593 ( -7.686 -4.587 0.655) 8.975 2.936 ( 9.426 0.014 -5.693) 11.012 3.059 ( -0.900 -4.837 -7.452) 8.930 3.094 ( -5.891 -1.709 -6.701) 9.084 3.200 ( -9.532 -4.363 -8.645) 13.588 3.895 ( 5.217 6.005 2.684) 8.395 4.004 ( -5.120 4.668 2.243) 7.283 4.165 ( -1.437 0.066 1.779) 2.288 4.180 ( -3.840 1.315 1.306) 4.264 4.967 ( 11.980 16.724 -7.335) 21.841 5.106 ( 23.511 1.967 -13.492) 27.178 5.122 ( -1.697 23.995 -1.623) 24.109 5.321 ( 17.544 12.181 0.827) 21.374 5.631 ( -25.679 0.099 -14.696) 29.587 5.779 ( -22.935 0.241 -7.817) 24.232 6.160 ( 8.068 5.701 0.880) 9.917 6.284 ( -4.992 5.780 -12.029) 14.248 6.480 ( 0.105 6.089 -1.628) 6.304 6.506 ( 1.927 -6.841 -1.611) 7.287 6.806 ( 9.285 -9.267 8.644) 15.710 6.857 ( -0.619 -9.348 2.087) 9.599 6.980 ( -7.677 -12.088 0.738) 14.338 7.133 ( -8.775 -10.074 6.330) 14.784 7.332 ( 0.323 -16.309 1.634) 16.393 7.390 ( -5.641 -18.625 -0.190) 19.461 8.929 ( 3.624 17.882 3.599) 18.597 8.967 ( -0.249 18.554 3.175) 18.825 9.716 ( 5.115 -7.901 5.433) 10.868 9.781 ( -1.633 -8.005 5.262) 9.718 11.305 ( 7.416 25.023 0.914) 26.114 11.468 ( -9.267 23.802 -0.607) 25.549 12.676 ( 5.435 -17.192 -1.036) 18.060 12.786 ( -5.692 -16.649 -2.873) 17.828 13.426 ( 13.417 8.844 -4.356) 16.650 13.718 ( -16.525 9.698 -8.507) 20.964 14.033 ( 13.114 -9.836 -5.929) 17.432 14.300 ( -13.878 -7.753 -9.113) 18.323 14.843 ( 7.966 3.502 4.764) 9.921 14.948 ( -1.471 2.490 3.942) 4.889 15.144 ( -1.463 -1.017 4.577) 4.912 15.167 ( -2.357 0.521 4.425) 5.041 15.710 ( 4.220 9.044 4.913) 11.124 15.796 ( -4.158 7.198 2.870) 8.794 16.472 ( 5.268 -10.501 5.235) 12.861 16.531 ( -0.195 -13.577 6.827) 15.198 16.622 ( 3.683 1.922 5.381) 6.798 16.723 ( -6.214 4.026 4.721) 8.781 16.929 ( 1.626 -6.286 4.091) 7.674 16.986 ( -3.560 -4.002 2.789) 6.039 17.215 ( 3.538 3.829 0.059) 5.214 17.276 ( -2.401 4.464 0.605) 5.105 17.557 ( 5.071 -7.270 -2.726) 9.274 17.635 ( -2.758 -7.179 -0.944) 7.748 17.979 ( 4.506 4.886 -1.663) 6.852 18.088 ( -6.293 3.457 -2.709) 7.674 18.183 ( 1.620 -1.053 -0.984) 2.168 18.235 ( -4.091 0.156 -2.328) 4.710 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.000 9.342 24.441) 26.165 2.069 ( 0.000 -4.554 19.147) 19.681 2.229 ( 0.000 16.609 20.721) 26.556 2.589 ( 0.000 -16.508 14.964) 22.281 2.850 ( 0.000 11.423 1.279) 11.494 2.942 ( 0.000 1.809 -4.798) 5.127 3.275 ( 0.000 11.974 2.088) 12.155 3.454 ( 0.000 -3.616 0.468) 3.646 3.482 ( 0.000 -1.202 -2.606) 2.870 3.545 ( 0.000 -11.491 0.342) 11.496 4.126 ( 0.000 7.160 -4.481) 8.447 4.230 ( 0.000 -4.275 2.624) 5.016 4.613 ( 0.000 -4.177 2.551) 4.894 4.641 ( 0.000 -5.741 -0.095) 5.742 5.263 ( 0.000 6.519 12.853) 14.411 5.366 ( 0.000 -4.402 12.823) 13.558 5.717 ( 0.000 23.933 1.599) 23.986 6.097 ( 0.000 -1.083 -0.311) 1.127 6.273 ( 0.000 8.505 3.382) 9.152 6.462 ( 0.000 -8.503 -2.496) 8.862 6.470 ( 0.000 1.632 -4.714) 4.988 6.843 ( 0.000 -24.773 -5.294) 25.333 7.057 ( 0.000 1.378 -14.670) 14.734 7.101 ( 0.000 -3.382 -13.749) 14.159 7.244 ( 0.000 7.106 -11.289) 13.339 7.397 ( 0.000 -8.249 -9.716) 12.745 7.866 ( 0.000 1.322 -9.907) 9.994 7.911 ( 0.000 -3.383 -8.513) 9.161 8.824 ( 0.000 5.119 5.141) 7.254 8.867 ( 0.000 -0.161 0.933) 0.946 9.239 ( 0.000 12.324 7.442) 14.397 9.467 ( 0.000 -10.672 4.522) 11.591 11.534 ( 0.000 24.145 1.165) 24.173 11.911 ( 0.000 -12.712 -3.441) 13.170 12.559 ( 0.000 14.267 1.002) 14.302 12.892 ( 0.000 -18.000 -3.006) 18.249 13.080 ( 0.000 5.757 4.984) 7.615 13.188 ( 0.000 -5.443 4.772) 7.238 14.373 ( 0.000 6.157 4.402) 7.568 14.489 ( 0.000 -5.819 4.640) 7.443 14.928 ( 0.000 2.147 -11.842) 12.035 14.939 ( 0.000 0.572 -12.035) 12.048 15.343 ( 0.000 16.522 -0.691) 16.536 15.539 ( 0.000 1.995 -5.652) 5.994 15.739 ( 0.000 0.606 3.465) 3.517 15.860 ( 0.000 -4.990 5.639) 7.530 15.958 ( 0.000 -7.600 0.230) 7.603 16.012 ( 0.000 -11.476 4.195) 12.218 16.751 ( 0.000 6.850 -3.262) 7.587 16.808 ( 0.000 1.550 -7.642) 7.798 16.958 ( 0.000 -1.628 2.219) 2.753 16.998 ( 0.000 -5.536 3.874) 6.757 17.180 ( 0.000 2.545 3.401) 4.248 17.262 ( 0.000 -6.729 3.564) 7.615 17.395 ( 0.000 4.630 1.286) 4.805 17.495 ( 0.000 -5.737 -0.256) 5.743 17.987 ( 0.000 5.359 0.100) 5.360 18.080 ( 0.000 -4.235 0.127) 4.237 18.516 ( 0.000 4.673 -8.185) 9.425 18.580 ( 0.000 -1.857 -11.257) 11.409 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -5.435 14.237 22.005) 26.766 2.045 ( -1.372 -8.107 16.210) 18.176 2.262 ( 3.362 14.349 12.934) 19.608 2.565 ( -1.525 -15.649 9.304) 18.269 2.941 ( -0.551 5.332 -3.046) 6.165 2.978 ( 6.941 2.670 1.412) 7.569 3.295 ( 0.982 8.774 1.990) 9.051 3.474 ( -2.260 -6.980 -0.189) 7.339 3.525 ( 9.385 3.698 2.548) 10.405 3.614 ( 8.366 -5.120 -2.538) 10.132 4.156 ( 2.806 6.909 -4.446) 8.682 4.271 ( 3.472 -5.131 0.860) 6.255 4.547 ( -4.757 0.136 1.329) 4.941 4.612 ( -2.564 -6.087 0.403) 6.617 5.349 ( 3.692 4.226 9.148) 10.732 5.380 ( 5.792 -0.385 13.117) 14.344 5.801 ( 7.884 19.901 5.641) 22.137 6.127 ( 1.440 12.392 0.377) 12.481 6.217 ( -4.181 -0.653 1.370) 4.448 6.438 ( -1.991 -8.121 -2.700) 8.787 6.476 ( 0.279 -2.708 -3.128) 4.147 6.774 ( -7.460 -18.306 -7.599) 21.178 7.006 ( -8.763 -1.099 -13.391) 16.041 7.019 ( -4.274 -5.178 -12.729) 14.391 7.157 ( -8.032 5.542 -8.870) 13.188 7.310 ( -8.316 -8.856 -8.170) 14.640 7.791 ( -7.424 0.916 -8.093) 11.020 7.837 ( -7.269 -3.887 -7.171) 10.926 8.864 ( 4.843 8.419 3.972) 10.494 8.959 ( 7.512 -0.175 0.764) 7.553 9.276 ( 3.589 10.076 7.479) 13.052 9.494 ( 2.597 -10.907 4.636) 12.132 11.558 ( 2.382 24.794 1.019) 24.929 11.944 ( 3.140 -12.400 -3.629) 13.296 12.510 ( -4.834 13.655 0.951) 14.516 12.839 ( -5.024 -16.897 -3.157) 17.908 13.111 ( 2.918 5.161 4.218) 7.276 13.231 ( 4.484 -6.687 3.894) 8.943 14.397 ( 2.387 5.018 4.552) 7.183 14.492 ( -0.079 -4.798 3.380) 5.869 14.893 ( -2.639 4.370 -11.553) 12.630 14.941 ( -1.188 -0.559 -12.165) 12.236 15.327 ( -1.625 13.136 -1.428) 13.313 15.481 ( -5.572 0.005 -5.206) 7.626 15.752 ( 1.395 3.820 5.129) 6.546 15.906 ( 2.862 -0.013 2.442) 3.762 15.941 ( 0.598 -10.186 4.334) 11.085 16.038 ( 2.789 -12.199 4.549) 13.315 16.723 ( -2.154 6.929 0.067) 7.257 16.840 ( 1.343 -3.103 -5.314) 6.298 16.947 ( 0.110 1.379 2.479) 2.839 17.017 ( 1.241 -3.845 1.398) 4.275 17.170 ( -0.641 1.777 2.401) 3.055 17.240 ( -1.829 -5.944 2.014) 6.537 17.406 ( 0.957 4.619 1.542) 4.962 17.510 ( 1.213 -6.111 0.323) 6.238 17.989 ( 0.248 5.440 0.052) 5.446 18.083 ( 0.303 -4.263 0.095) 4.275 18.480 ( -3.542 4.734 -7.489) 9.541 18.547 ( -3.378 -2.132 -10.058) 10.822 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 7.821 13.718 10.776) 19.117 2.069 ( 4.611 -9.692 8.684) 13.806 2.349 ( 5.273 10.646 8.547) 14.635 2.556 ( 0.410 -10.527 5.331) 11.807 2.894 ( -2.971 7.052 -4.251) 8.754 3.025 ( -1.382 -6.623 -3.374) 7.560 3.288 ( -1.833 4.571 -0.160) 4.928 3.399 ( -5.290 -6.052 -1.917) 8.264 3.795 ( 13.347 4.073 0.895) 13.983 3.826 ( 13.369 0.634 0.415) 13.390 4.204 ( 1.158 5.848 -4.506) 7.473 4.315 ( -0.414 -5.768 -3.958) 7.007 4.508 ( 2.840 4.332 0.570) 5.211 4.595 ( 2.233 -4.949 -0.503) 5.452 5.372 ( 3.068 17.892 5.692) 19.025 5.629 ( 16.618 -9.156 15.037) 24.210 5.972 ( 8.678 14.960 7.930) 19.026 6.040 ( -7.490 25.144 2.391) 26.345 6.208 ( -0.660 -2.758 -5.970) 6.609 6.402 ( -1.156 -10.351 -0.947) 10.458 6.470 ( -3.505 -7.944 -3.515) 9.367 6.564 ( -11.714 -14.125 -6.531) 19.478 6.774 ( -12.774 4.310 -11.782) 17.904 6.903 ( -9.488 -0.721 -12.655) 15.833 7.015 ( -4.430 -9.845 -3.861) 11.466 7.120 ( -10.068 -10.520 -5.346) 15.512 7.591 ( -13.190 1.759 -4.189) 13.951 7.655 ( -11.274 -4.804 -3.509) 12.748 8.990 ( 7.517 11.761 3.445) 14.377 9.114 ( 8.035 3.141 0.643) 8.651 9.360 ( 4.714 4.222 7.275) 9.643 9.552 ( 2.980 -11.263 4.819) 12.608 11.617 ( 3.576 25.928 0.761) 26.184 12.012 ( 3.355 -9.177 -3.981) 10.551 12.388 ( -7.221 10.134 1.214) 12.502 12.718 ( -7.266 -17.607 -3.522) 19.370 13.195 ( 6.181 7.172 2.212) 9.723 13.360 ( 8.724 -9.699 1.461) 13.127 14.439 ( -3.772 1.820 -1.295) 4.384 14.452 ( -0.909 0.233 0.804) 1.236 14.853 ( -0.294 2.588 -5.158) 5.778 14.875 ( -5.051 0.798 -10.978) 12.111 15.286 ( -2.534 5.594 -0.782) 6.190 15.354 ( -6.869 -1.143 -2.916) 7.549 15.787 ( 2.359 9.113 6.821) 11.625 15.932 ( 2.056 4.529 2.498) 5.566 16.029 ( 5.806 -11.403 5.855) 14.072 16.118 ( 5.252 -12.619 5.432) 14.708 16.677 ( -2.290 6.450 3.735) 7.797 16.821 ( -2.505 -8.068 2.656) 8.856 16.972 ( 0.420 4.297 0.041) 4.318 17.024 ( -0.496 -1.025 1.078) 1.568 17.170 ( 0.552 0.914 0.721) 1.288 17.229 ( 1.873 -5.076 -2.051) 5.786 17.423 ( 0.561 4.553 1.524) 4.834 17.531 ( 0.729 -6.515 0.791) 6.604 17.998 ( 0.715 5.469 -0.177) 5.519 18.092 ( 0.565 -4.199 -0.108) 4.239 18.389 ( -5.641 4.420 -5.749) 9.187 18.455 ( -5.981 -2.322 -7.441) 9.825 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 15.463 7.496 2.321) 17.340 2.212 ( 9.294 -5.853 2.189) 11.200 2.442 ( 3.696 6.079 6.418) 9.582 2.562 ( -0.383 -6.435 3.886) 7.527 2.866 ( 1.005 5.418 -6.176) 8.277 2.982 ( -1.975 -6.694 -5.887) 9.130 3.218 ( -5.607 1.623 -3.233) 6.673 3.276 ( -7.270 -4.219 -4.232) 9.411 3.950 ( 4.500 6.571 -0.117) 7.965 4.052 ( 7.014 -3.421 1.989) 8.053 4.184 ( -2.997 3.986 -1.621) 5.244 4.257 ( -4.565 -3.180 -1.736) 5.828 4.691 ( 15.824 2.809 -7.783) 17.857 4.747 ( 14.327 -2.991 -7.417) 16.408 5.506 ( 9.996 29.439 5.446) 31.563 5.866 ( -8.706 21.838 -0.691) 23.519 5.984 ( 16.015 -11.025 9.495) 21.637 6.068 ( -14.887 1.208 -9.679) 17.798 6.127 ( -1.035 1.108 0.688) 1.665 6.198 ( -7.647 5.575 -4.996) 10.701 6.399 ( 0.440 -14.643 1.423) 14.718 6.478 ( -3.119 -12.550 -0.600) 12.946 6.611 ( -3.916 4.579 -5.776) 8.347 6.726 ( -6.438 4.660 -8.532) 11.660 6.938 ( -3.658 -11.930 -3.459) 12.949 6.998 ( -2.457 -18.241 -2.345) 18.554 7.297 ( -16.666 4.380 1.304) 17.281 7.406 ( -14.479 -6.853 1.397) 16.080 9.134 ( 7.111 13.892 3.665) 16.031 9.249 ( 5.366 10.154 1.834) 11.630 9.446 ( 4.222 -4.633 6.350) 8.922 9.594 ( 1.064 -11.738 4.774) 12.716 11.696 ( 4.790 26.597 0.461) 27.029 12.045 ( -1.283 8.693 -4.363) 9.811 12.269 ( -3.359 -7.349 1.798) 8.278 12.568 ( -8.082 -19.883 -3.280) 21.712 13.360 ( 10.991 9.466 -1.019) 14.541 13.561 ( 12.068 -11.373 -1.687) 16.668 14.230 ( -14.756 8.502 -8.882) 19.207 14.384 ( -9.820 -7.576 -5.772) 13.680 14.832 ( 2.507 5.466 -0.969) 6.091 14.901 ( 4.692 -1.539 2.345) 5.467 15.224 ( -5.139 0.469 -0.686) 5.206 15.231 ( -4.918 -0.046 2.204) 5.390 15.848 ( 3.908 12.679 6.755) 14.889 15.976 ( 1.806 7.931 3.618) 8.902 16.135 ( 4.919 -12.740 5.745) 14.815 16.215 ( 3.998 -13.521 6.301) 15.443 16.652 ( 0.288 5.728 4.835) 7.502 16.782 ( -0.761 -7.640 4.659) 8.981 16.920 ( -4.834 4.228 3.279) 7.211 16.992 ( -3.448 -3.120 2.244) 5.163 17.215 ( 4.182 4.084 -1.609) 6.063 17.305 ( 5.135 -4.550 -2.998) 7.487 17.423 ( -0.664 4.027 0.753) 4.150 17.532 ( -0.713 -6.752 0.432) 6.804 18.020 ( 1.713 5.193 -0.669) 5.509 18.107 ( 1.193 -3.846 -0.565) 4.066 18.273 ( -6.204 3.668 -3.908) 8.199 18.329 ( -6.647 -2.037 -4.696) 8.389 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 12.130 1.021 0.568) 12.186 2.382 ( 7.248 -1.339 0.647) 7.399 2.467 ( -1.434 2.253 3.113) 4.102 2.516 ( -4.950 -3.246 2.250) 6.333 2.947 ( 6.685 1.191 -6.300) 9.262 2.984 ( 3.196 -2.851 -6.802) 8.038 3.082 ( -7.546 0.725 -5.542) 9.391 3.123 ( -8.556 -3.396 -6.451) 11.241 4.018 ( 3.620 6.459 2.252) 7.739 4.097 ( -3.309 4.000 1.686) 5.459 4.126 ( 0.330 -3.348 2.054) 3.942 4.170 ( -3.777 -2.290 1.280) 4.598 5.089 ( 23.953 2.218 -14.539) 28.108 5.120 ( 23.175 -0.957 -13.889) 27.035 5.524 ( -18.136 11.357 -12.929) 25.001 5.615 ( -26.389 -1.364 -15.635) 30.703 5.766 ( 7.531 27.466 4.495) 28.832 5.930 ( -8.502 19.281 2.144) 21.181 6.233 ( 6.789 -18.051 0.479) 19.292 6.308 ( 1.002 1.353 2.369) 2.907 6.425 ( 1.843 -10.786 -0.433) 10.951 6.448 ( 1.821 5.815 -5.912) 8.490 6.602 ( 5.765 -1.310 -0.670) 5.950 6.710 ( 2.839 -8.226 0.762) 8.735 6.907 ( -1.981 -6.197 0.520) 6.527 6.921 ( -7.469 -5.682 4.434) 10.380 7.035 ( -4.909 -7.353 3.124) 9.377 7.121 ( -13.175 -9.424 4.948) 16.938 9.251 ( 4.686 15.643 3.976) 16.807 9.301 ( -0.165 15.994 3.549) 16.384 9.526 ( 3.968 -11.768 4.907) 13.353 9.586 ( -1.920 -12.425 4.570) 13.377 11.806 ( 6.681 26.664 -0.258) 27.489 11.947 ( -7.374 25.253 -1.880) 26.375 12.294 ( 4.741 -22.703 -0.622) 23.201 12.416 ( -7.457 -22.197 -2.364) 23.535 13.611 ( 14.791 10.636 -4.529) 18.773 13.820 ( 14.146 -10.402 -5.160) 18.301 13.921 ( -15.943 9.731 -7.486) 20.123 14.121 ( -15.636 -10.484 -7.647) 20.319 14.939 ( 6.931 5.590 3.327) 9.505 15.001 ( 4.136 0.955 3.840) 5.724 15.108 ( -5.072 -1.054 2.638) 5.813 15.142 ( -5.051 -2.720 3.422) 6.680 15.927 ( 3.907 13.563 5.985) 15.331 15.982 ( -1.414 12.090 4.812) 13.089 16.213 ( 3.108 -15.129 6.036) 16.582 16.250 ( -0.426 -14.977 6.252) 16.235 16.701 ( 4.576 5.268 4.730) 8.430 16.808 ( -1.231 -0.329 4.470) 4.648 16.812 ( -1.313 -0.897 4.392) 4.671 16.903 ( -5.297 -4.750 3.728) 8.032 17.304 ( 4.535 5.443 -1.205) 7.187 17.370 ( -1.319 4.895 -0.377) 5.084 17.426 ( 3.518 -5.794 -1.785) 7.010 17.498 ( -2.912 -6.932 -0.659) 7.547 18.070 ( 3.557 4.488 -1.440) 5.905 18.143 ( 2.587 -3.000 -1.293) 4.167 18.158 ( -5.448 3.529 -2.513) 6.961 18.215 ( -4.926 -2.177 -2.528) 5.949 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 0.000 18.035) 18.035 1.987 ( 0.000 0.000 28.418) 28.418 2.464 ( 0.000 0.000 9.818) 9.818 2.553 ( 0.000 0.000 -17.169) 17.169 2.741 ( 0.000 0.000 0.223) 0.223 2.930 ( 0.000 0.000 35.774) 35.774 3.284 ( 0.000 0.000 2.018) 2.018 3.442 ( 0.000 0.000 -8.460) 8.460 3.625 ( 0.000 0.000 6.124) 6.124 3.630 ( 0.000 0.000 -9.958) 9.958 3.968 ( 0.000 0.000 -2.407) 2.407 4.416 ( 0.000 0.000 -1.208) 1.208 4.805 ( 0.000 0.000 13.429) 13.429 4.820 ( 0.000 0.000 -9.567) 9.567 4.959 ( 0.000 0.000 7.188) 7.188 5.199 ( 0.000 0.000 -1.972) 1.972 5.450 ( 0.000 0.000 20.824) 20.824 5.790 ( 0.000 0.000 16.786) 16.786 6.262 ( 0.000 0.000 -4.224) 4.224 6.641 ( 0.000 0.000 -22.538) 22.538 6.728 ( 0.000 0.000 -2.651) 2.651 6.921 ( 0.000 0.000 -19.756) 19.756 7.098 ( 0.000 0.000 -14.707) 14.707 7.299 ( 0.000 0.000 6.624) 6.624 7.494 ( 0.000 0.000 -13.038) 13.038 7.591 ( 0.000 0.000 -1.651) 1.651 7.910 ( 0.000 0.000 7.723) 7.723 8.015 ( 0.000 0.000 -4.199) 4.199 8.167 ( 0.000 0.000 1.609) 1.609 8.432 ( 0.000 0.000 -16.423) 16.423 9.265 ( 0.000 0.000 12.252) 12.252 9.699 ( 0.000 0.000 -0.716) 0.716 10.649 ( 0.000 0.000 9.649) 9.649 11.371 ( 0.000 0.000 -6.985) 6.985 12.852 ( 0.000 0.000 6.463) 6.463 13.016 ( 0.000 0.000 10.703) 10.703 13.385 ( 0.000 0.000 -4.144) 4.144 13.481 ( 0.000 0.000 5.680) 5.680 14.203 ( 0.000 0.000 4.854) 4.854 14.470 ( 0.000 0.000 -16.777) 16.777 14.524 ( 0.000 0.000 -11.763) 11.763 14.911 ( 0.000 0.000 -9.346) 9.346 14.989 ( 0.000 0.000 9.546) 9.546 15.072 ( 0.000 0.000 5.511) 5.511 15.763 ( 0.000 0.000 -4.147) 4.147 15.952 ( 0.000 0.000 -7.246) 7.246 16.359 ( 0.000 0.000 1.296) 1.296 16.495 ( 0.000 0.000 3.926) 3.926 16.548 ( 0.000 0.000 -4.964) 4.964 16.855 ( 0.000 0.000 -3.090) 3.090 17.175 ( 0.000 0.000 10.269) 10.269 17.189 ( 0.000 0.000 3.613) 3.613 17.232 ( 0.000 0.000 2.328) 2.328 17.236 ( 0.000 0.000 2.547) 2.547 17.662 ( 0.000 0.000 -6.457) 6.457 17.762 ( 0.000 0.000 -0.204) 0.204 17.778 ( 0.000 0.000 -0.961) 0.961 18.198 ( 0.000 0.000 -11.359) 11.359 18.201 ( 0.000 0.000 0.882) 0.882 18.225 ( 0.000 0.000 -0.471) 0.471 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 15.016 0.000 16.253) 22.128 1.793 ( -11.874 0.000 29.809) 32.087 2.465 ( -0.115 0.000 12.527) 12.528 2.578 ( 2.580 0.000 -18.130) 18.313 2.721 ( -1.908 0.000 -0.681) 2.026 3.243 ( 12.918 0.000 11.540) 17.322 3.284 ( 12.060 0.000 17.724) 21.438 3.423 ( -1.988 0.000 -8.579) 8.806 3.461 ( -7.354 0.000 -2.338) 7.717 3.805 ( 5.992 0.000 -3.448) 6.913 3.981 ( 3.827 0.000 1.502) 4.111 4.338 ( -7.273 0.000 1.729) 7.476 4.649 ( -14.822 0.000 17.083) 22.617 4.788 ( -3.546 0.000 -6.818) 7.685 4.814 ( -6.856 0.000 -3.983) 7.929 4.998 ( -14.242 0.000 2.672) 14.490 5.766 ( 21.440 0.000 19.093) 28.710 5.912 ( 8.132 0.000 11.519) 14.100 6.198 ( -4.104 0.000 -3.725) 5.542 6.587 ( -5.865 0.000 -21.898) 22.670 6.660 ( -7.285 0.000 -2.678) 7.762 6.792 ( -13.577 0.000 -20.942) 24.958 7.034 ( -5.897 0.000 -12.959) 14.238 7.347 ( 4.327 0.000 5.660) 7.124 7.451 ( -1.191 0.000 -8.060) 8.148 7.595 ( -0.008 0.000 -1.617) 1.617 7.943 ( -6.613 0.000 -3.470) 7.468 8.049 ( 11.015 0.000 5.227) 12.192 8.218 ( 4.932 0.000 1.532) 5.164 8.283 ( -13.406 0.000 -12.728) 18.485 9.389 ( 10.960 0.000 9.397) 14.437 9.754 ( 5.221 0.000 -0.594) 5.255 10.651 ( 0.303 0.000 9.405) 9.410 11.351 ( -2.232 0.000 -6.309) 6.692 12.875 ( 2.474 0.000 6.007) 6.497 12.958 ( -4.885 0.000 8.659) 9.942 13.381 ( -3.122 0.000 -5.309) 6.159 13.528 ( 7.510 0.000 5.370) 9.233 14.267 ( -12.225 0.000 -17.185) 21.090 14.341 ( 8.163 0.000 6.418) 10.384 14.528 ( -0.275 0.000 -13.183) 13.186 14.898 ( -5.241 0.000 9.087) 10.491 15.030 ( 8.565 0.000 -6.229) 10.591 15.156 ( 4.890 0.000 5.514) 7.370 15.755 ( -0.969 0.000 -4.488) 4.592 15.888 ( -6.133 0.000 -7.153) 9.422 16.364 ( 0.721 0.000 1.574) 1.732 16.519 ( 3.454 0.000 6.540) 7.396 16.584 ( 3.621 0.000 -4.982) 6.159 16.926 ( 5.961 0.000 -0.983) 6.041 17.134 ( -2.056 0.000 5.718) 6.076 17.150 ( -3.309 0.000 3.790) 5.031 17.240 ( -0.195 0.000 1.930) 1.940 17.276 ( 2.624 0.000 4.969) 5.619 17.607 ( -4.853 0.000 -4.786) 6.816 17.760 ( -0.038 0.000 -0.038) 0.054 17.790 ( 1.037 0.000 -0.707) 1.255 18.198 ( -0.348 0.000 0.762) 0.837 18.214 ( 0.807 0.000 -12.291) 12.318 18.219 ( -0.635 0.000 -0.406) 0.754 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 21.684 0.000 13.007) 25.286 1.731 ( 6.976 0.000 21.614) 22.712 2.457 ( -0.566 0.000 12.155) 12.168 2.637 ( 3.098 0.000 -13.271) 13.628 2.679 ( -1.959 0.000 -2.517) 3.189 3.214 ( -5.328 0.000 -2.594) 5.926 3.340 ( -4.348 0.000 -2.923) 5.240 3.362 ( -4.512 0.000 -8.514) 9.636 3.668 ( 6.818 0.000 -0.440) 6.832 3.922 ( 13.690 0.000 12.186) 18.328 4.158 ( 13.801 0.000 9.791) 16.922 4.203 ( -5.316 0.000 1.383) 5.493 4.404 ( -9.012 0.000 4.834) 10.227 4.652 ( -10.224 0.000 -0.170) 10.225 4.669 ( -7.029 0.000 1.454) 7.178 4.824 ( -3.694 0.000 -1.706) 4.069 5.921 ( -4.862 0.000 -4.021) 6.310 6.035 ( 4.774 0.000 7.881) 9.214 6.319 ( 8.053 0.000 2.442) 8.415 6.407 ( -12.714 0.000 -18.248) 22.241 6.421 ( -23.075 0.000 -21.520) 31.552 6.512 ( 0.203 0.000 6.153) 6.157 6.893 ( -8.384 0.000 -10.660) 13.562 7.435 ( 3.382 0.000 4.044) 5.272 7.470 ( 1.815 0.000 -3.056) 3.554 7.557 ( -4.529 0.000 -1.303) 4.712 7.816 ( -5.312 0.000 -1.460) 5.509 7.998 ( -14.087 0.000 -9.261) 16.859 8.256 ( 9.638 0.000 4.728) 10.735 8.336 ( 6.796 0.000 1.734) 7.014 9.624 ( 12.362 0.000 7.419) 14.417 9.876 ( 6.841 0.000 0.934) 6.905 10.665 ( 1.252 0.000 8.290) 8.384 11.277 ( -5.545 0.000 -4.443) 7.105 12.877 ( -2.534 0.000 5.044) 5.644 12.947 ( 4.929 0.000 4.735) 6.835 13.294 ( -4.717 0.000 -2.298) 5.247 13.726 ( 11.353 0.000 -1.075) 11.403 13.935 ( -18.598 0.000 -18.148) 25.985 14.471 ( -6.273 0.000 -13.827) 15.184 14.606 ( 15.172 0.000 10.830) 18.641 14.859 ( 2.016 0.000 7.794) 8.050 15.166 ( 5.011 0.000 -1.143) 5.140 15.221 ( 1.745 0.000 4.203) 4.551 15.687 ( -6.910 0.000 -5.058) 8.564 15.789 ( -2.387 0.000 -3.835) 4.517 16.395 ( 2.747 0.000 2.468) 3.693 16.628 ( 7.058 0.000 8.372) 10.950 16.677 ( 5.661 0.000 -4.244) 7.075 17.012 ( 1.438 0.000 6.457) 6.615 17.073 ( -4.516 0.000 3.892) 5.962 17.155 ( 5.303 0.000 0.618) 5.339 17.220 ( -1.796 0.000 0.736) 1.940 17.304 ( -0.102 0.000 4.283) 4.284 17.518 ( -3.200 0.000 -3.135) 4.480 17.762 ( 0.232 0.000 0.299) 0.378 17.810 ( 0.861 0.000 -0.186) 0.881 18.189 ( -0.546 0.000 0.389) 0.671 18.195 ( -3.266 0.000 -12.084) 12.518 18.203 ( -0.870 0.000 -0.218) 0.897 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 20.977 0.000 9.434) 23.001 2.033 ( 19.933 0.000 9.604) 22.126 2.447 ( -0.495 0.000 9.910) 9.922 2.663 ( 0.465 0.000 -4.021) 4.047 2.703 ( 4.526 0.000 -7.462) 8.728 3.059 ( -9.318 0.000 -4.774) 10.470 3.231 ( -8.973 0.000 -11.435) 14.535 3.248 ( -7.218 0.000 -8.071) 10.828 3.731 ( 4.983 0.000 3.220) 5.933 4.086 ( 1.007 0.000 2.079) 2.310 4.090 ( -6.780 0.000 -1.104) 6.869 4.307 ( -7.826 0.000 -1.538) 7.975 4.525 ( 16.476 0.000 19.480) 25.513 4.528 ( 5.491 0.000 0.028) 5.491 4.610 ( 3.613 0.000 0.141) 3.616 4.814 ( 4.329 0.000 -3.593) 5.626 5.787 ( -11.443 0.000 -6.294) 13.059 5.955 ( -20.069 0.000 -26.012) 32.854 6.027 ( -14.330 0.000 -13.245) 19.514 6.162 ( -12.419 0.000 -11.995) 17.266 6.201 ( 1.059 0.000 5.963) 6.056 6.722 ( -9.284 0.000 -6.352) 11.249 6.832 ( 19.877 0.000 16.596) 25.894 7.367 ( -7.898 0.000 -4.403) 9.042 7.477 ( -1.807 0.000 1.481) 2.337 7.481 ( -6.322 0.000 0.589) 6.350 7.733 ( -1.283 0.000 -0.523) 1.385 7.843 ( -2.261 0.000 -2.741) 3.553 8.410 ( 6.388 0.000 4.577) 7.859 8.456 ( 5.104 0.000 2.752) 5.799 9.841 ( 9.852 0.000 7.177) 12.189 9.995 ( 4.997 0.000 3.803) 6.279 10.707 ( 3.454 0.000 5.863) 6.805 11.140 ( -8.441 0.000 -2.140) 8.708 12.884 ( 3.537 0.000 1.163) 3.723 13.052 ( 5.457 0.000 3.000) 6.228 13.221 ( -2.739 0.000 -0.859) 2.871 13.579 ( -17.924 0.000 -14.502) 23.056 13.922 ( 8.429 0.000 -5.753) 10.205 14.317 ( -8.541 0.000 -12.711) 15.314 14.880 ( 12.669 0.000 11.246) 16.940 14.952 ( 6.491 0.000 5.079) 8.242 15.219 ( 0.542 0.000 2.981) 3.030 15.231 ( -0.583 0.000 4.939) 4.973 15.563 ( -4.391 0.000 -2.096) 4.865 15.746 ( -3.082 0.000 -3.738) 4.844 16.475 ( 5.543 0.000 4.018) 6.846 16.762 ( 6.466 0.000 7.931) 10.232 16.776 ( 3.216 0.000 -0.334) 3.233 16.991 ( -3.002 0.000 1.899) 3.552 17.011 ( -1.032 0.000 7.204) 7.278 17.172 ( -3.179 0.000 -0.437) 3.209 17.258 ( 1.500 0.000 5.435) 5.639 17.285 ( 0.533 0.000 3.965) 4.001 17.527 ( 5.018 0.000 -5.358) 7.341 17.770 ( 0.655 0.000 0.499) 0.823 17.818 ( -0.089 0.000 0.305) 0.317 18.087 ( -7.779 0.000 -10.185) 12.815 18.178 ( -0.478 0.000 -0.045) 0.480 18.188 ( -0.662 0.000 -0.071) 0.666 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 9.353 0.000 6.785) 11.555 2.425 ( -2.489 0.000 7.546) 7.946 2.441 ( 20.011 0.000 4.039) 20.414 2.674 ( -2.101 0.000 -0.677) 2.208 2.854 ( 11.420 0.000 -5.510) 12.680 2.906 ( -4.078 0.000 -9.514) 10.351 3.007 ( -12.130 0.000 -15.731) 19.865 3.081 ( -10.513 0.000 -7.118) 12.696 3.871 ( 8.465 0.000 4.994) 9.828 4.007 ( -0.356 0.000 0.948) 1.013 4.022 ( -6.458 0.000 3.244) 7.227 4.100 ( -9.584 0.000 1.862) 9.763 4.627 ( 3.588 0.000 3.146) 4.772 4.685 ( -1.507 0.000 4.409) 4.659 4.842 ( 22.890 0.000 -10.181) 25.052 5.146 ( 24.562 0.000 -2.113) 24.653 5.338 ( -27.377 0.000 -14.260) 30.868 5.622 ( -23.986 0.000 -9.869) 25.937 5.845 ( 1.916 0.000 -17.675) 17.778 5.951 ( -8.707 0.000 -15.224) 17.538 6.336 ( 9.602 0.000 6.322) 11.497 6.533 ( -10.311 0.000 0.354) 10.317 7.168 ( 14.535 0.000 11.667) 18.638 7.264 ( -1.463 0.000 -5.954) 6.131 7.323 ( -7.104 0.000 -5.147) 8.773 7.385 ( -7.956 0.000 6.416) 10.221 7.770 ( 2.997 0.000 1.910) 3.554 7.816 ( -1.580 0.000 0.651) 1.708 8.501 ( 2.926 0.000 4.261) 5.169 8.518 ( 1.166 0.000 3.729) 3.907 9.992 ( 5.547 0.000 7.209) 9.096 10.047 ( -0.027 0.000 6.332) 6.332 10.807 ( 6.972 0.000 2.748) 7.494 10.967 ( -9.147 0.000 0.150) 9.149 13.016 ( 9.962 0.000 -3.526) 10.568 13.139 ( 3.306 0.000 1.539) 3.647 13.183 ( -1.634 0.000 0.372) 1.676 13.259 ( -14.979 0.000 -9.087) 17.520 14.053 ( 5.748 0.000 -9.376) 10.998 14.168 ( -6.684 0.000 -11.976) 13.714 15.078 ( 6.289 0.000 5.367) 8.268 15.080 ( 7.989 0.000 9.266) 12.234 15.185 ( -4.383 0.000 6.310) 7.683 15.190 ( -3.543 0.000 6.274) 7.205 15.557 ( 3.711 0.000 -2.095) 4.262 15.660 ( -5.686 0.000 -3.027) 6.441 16.603 ( 7.450 0.000 5.678) 9.367 16.741 ( -6.017 0.000 5.828) 8.376 16.874 ( 5.242 0.000 6.375) 8.254 16.964 ( -3.866 0.000 6.099) 7.221 17.010 ( 4.193 0.000 -2.346) 4.805 17.099 ( -4.414 0.000 -1.571) 4.686 17.261 ( 1.162 0.000 6.344) 6.450 17.291 ( -1.203 0.000 7.748) 7.841 17.694 ( 10.841 0.000 -6.988) 12.898 17.787 ( 1.056 0.000 0.579) 1.204 17.808 ( -0.926 0.000 0.550) 1.077 17.906 ( -10.632 0.000 -8.132) 13.385 18.173 ( -0.001 0.000 -0.192) 0.192 18.178 ( -0.416 0.000 -0.154) 0.444 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 28.251 12.558) 30.917 2.063 ( 0.000 7.754 26.782) 27.882 2.524 ( 0.000 5.080 12.457) 13.453 2.627 ( 0.000 5.287 -14.551) 15.482 2.773 ( 0.000 5.741 -1.706) 5.989 2.930 ( 0.000 0.135 32.983) 32.984 3.195 ( 0.000 -6.515 0.904) 6.577 3.516 ( 0.000 4.302 -4.023) 5.890 3.575 ( 0.000 -4.455 4.767) 6.525 3.656 ( 0.000 2.528 -10.238) 10.545 3.903 ( 0.000 -5.831 -1.390) 5.994 4.593 ( 0.000 16.438 -5.068) 17.202 4.622 ( 0.000 -10.562 -1.369) 10.651 4.913 ( 0.000 -0.208 16.501) 16.502 5.109 ( 0.000 -7.293 2.365) 7.667 5.120 ( 0.000 17.803 -5.229) 18.555 5.476 ( 0.000 2.578 19.907) 20.074 5.779 ( 0.000 -1.207 16.630) 16.674 6.256 ( 0.000 -0.519 -3.683) 3.720 6.638 ( 0.000 -0.216 -22.177) 22.178 6.761 ( 0.000 3.042 -4.439) 5.381 6.870 ( 0.000 -7.078 -14.899) 16.495 6.956 ( 0.000 -10.617 -12.985) 16.773 7.188 ( 0.000 -11.366 6.178) 12.937 7.459 ( 0.000 -3.766 -12.500) 13.055 7.484 ( 0.000 -7.691 -3.440) 8.425 7.795 ( 0.000 -7.390 -3.298) 8.093 8.019 ( 0.000 -10.799 -6.091) 12.398 8.308 ( 0.000 20.557 2.229) 20.677 8.578 ( 0.000 10.797 -7.884) 13.369 9.283 ( 0.000 1.551 12.614) 12.709 9.704 ( 0.000 -0.043 -0.095) 0.104 10.787 ( 0.000 14.065 8.239) 16.301 11.469 ( 0.000 10.002 -7.539) 12.525 12.788 ( 0.000 -6.315 6.641) 9.164 13.048 ( 0.000 3.032 10.455) 10.885 13.316 ( 0.000 -7.571 -5.600) 9.417 13.457 ( 0.000 -1.888 7.973) 8.193 14.253 ( 0.000 4.793 5.113) 7.008 14.487 ( 0.000 2.065 -17.055) 17.180 14.544 ( 0.000 1.930 -11.520) 11.681 14.842 ( 0.000 -5.359 -4.097) 6.746 15.033 ( 0.000 4.508 8.194) 9.352 15.158 ( 0.000 7.146 -0.036) 7.147 15.757 ( 0.000 -0.551 -3.560) 3.603 15.927 ( 0.000 -2.228 -6.171) 6.561 16.365 ( 0.000 0.221 1.010) 1.033 16.418 ( 0.000 -7.052 3.088) 7.699 16.581 ( 0.000 2.507 -4.262) 4.945 16.778 ( 0.000 -7.402 -2.317) 7.756 17.146 ( 0.000 -2.611 9.363) 9.720 17.190 ( 0.000 -2.267 2.785) 3.591 17.196 ( 0.000 0.626 3.504) 3.559 17.283 ( 0.000 2.709 2.086) 3.419 17.630 ( 0.000 -2.940 -4.979) 5.782 17.695 ( 0.000 -8.141 -0.056) 8.141 17.798 ( 0.000 3.478 -0.439) 3.506 18.163 ( 0.000 -0.862 -2.188) 2.351 18.254 ( 0.000 2.675 -1.899) 3.280 18.268 ( 0.000 3.625 -9.283) 9.966 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 10.159 24.720 12.080) 29.329 1.860 ( -12.242 6.828 28.445) 31.711 2.517 ( -0.539 4.225 13.086) 13.762 2.651 ( 2.123 5.272 -14.356) 15.440 2.728 ( -4.068 2.514 -1.445) 4.996 3.209 ( 6.728 -5.033 6.586) 10.676 3.240 ( 14.629 -0.537 14.232) 20.416 3.439 ( -4.554 -0.275 -3.776) 5.922 3.516 ( -0.462 4.445 1.050) 4.591 3.767 ( 3.303 -3.421 -4.020) 6.227 3.927 ( 5.104 -3.914 0.977) 6.506 4.487 ( -7.554 11.007 4.064) 13.955 4.615 ( -3.016 -4.860 -3.541) 6.728 4.721 ( -13.344 3.918 6.850) 15.503 4.942 ( -12.567 -3.405 5.236) 14.034 5.081 ( -3.305 18.756 -4.245) 19.513 5.757 ( 19.993 -0.948 18.802) 27.462 5.884 ( 7.670 -2.129 12.700) 14.989 6.191 ( -4.204 -0.540 -3.407) 5.438 6.564 ( -7.549 -1.337 -19.628) 21.072 6.710 ( -6.197 3.946 -5.430) 9.136 6.766 ( -12.087 -2.744 -20.198) 23.698 6.896 ( -4.362 -12.992 -8.998) 16.395 7.227 ( 3.596 -11.914 5.990) 13.811 7.395 ( -2.071 -4.631 -7.543) 9.090 7.524 ( 1.027 -6.547 -4.510) 8.016 7.787 ( -2.443 -9.532 -4.360) 10.763 7.981 ( -4.679 -12.184 -7.307) 14.958 8.347 ( 4.361 19.929 2.916) 20.607 8.536 ( -2.016 14.753 -3.098) 15.209 9.394 ( 9.916 0.249 9.974) 14.067 9.755 ( 4.821 -0.478 0.104) 4.846 10.790 ( 0.404 14.215 8.007) 16.320 11.453 ( -1.885 10.415 -6.916) 12.643 12.799 ( 1.092 -7.177 6.249) 9.578 12.993 ( -4.364 2.717 7.857) 9.389 13.310 ( -2.039 -7.060 -4.567) 8.652 13.511 ( 6.620 -1.889 6.053) 9.167 14.306 ( -13.388 3.876 -18.159) 22.891 14.364 ( 8.382 2.232 6.718) 10.971 14.552 ( 0.331 2.453 -12.573) 12.814 14.851 ( -1.358 -3.570 4.164) 5.650 15.075 ( 5.320 3.689 1.762) 6.710 15.208 ( 3.416 5.012 0.811) 6.120 15.749 ( -0.895 -0.424 -3.765) 3.893 15.874 ( -5.009 -1.184 -5.979) 7.889 16.367 ( 0.557 -0.362 1.495) 1.636 16.448 ( 3.890 -6.108 5.201) 8.915 16.617 ( 3.499 2.359 -3.939) 5.772 16.849 ( 5.957 -7.254 -0.283) 9.391 17.111 ( -2.009 -2.223 5.604) 6.355 17.151 ( -3.079 -0.080 3.797) 4.889 17.222 ( 1.030 -1.307 3.049) 3.474 17.299 ( 1.070 1.931 3.006) 3.729 17.560 ( -5.185 -4.762 -2.987) 7.648 17.731 ( 2.040 -5.396 -1.180) 5.888 17.799 ( 0.136 3.407 -0.058) 3.410 18.166 ( 0.113 -0.928 -2.145) 2.340 18.229 ( -1.687 1.689 -2.760) 3.649 18.282 ( 0.319 3.565 -8.468) 9.194 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 8.616 7.496 17.600) 20.980 1.851 ( 13.536 14.187 14.128) 24.169 2.506 ( -0.557 3.741 12.805) 13.352 2.643 ( -2.974 0.178 -5.166) 5.963 2.697 ( 1.420 2.169 -8.169) 8.570 3.215 ( -4.463 0.167 -2.276) 5.013 3.268 ( -4.566 -5.373 -5.250) 8.790 3.387 ( -4.694 0.351 -4.627) 6.601 3.666 ( 4.685 -0.380 -2.185) 5.184 3.896 ( 14.236 -0.635 9.848) 17.322 4.082 ( 9.026 -4.471 3.350) 10.615 4.399 ( 0.757 12.364 10.190) 16.040 4.492 ( -9.262 11.964 0.689) 15.146 4.517 ( -5.995 -6.701 -1.891) 9.188 4.747 ( -6.801 -0.416 2.947) 7.424 4.999 ( -4.781 19.204 -1.714) 19.865 5.927 ( -3.987 0.826 -3.635) 5.458 5.997 ( 4.910 -2.607 8.148) 9.864 6.301 ( 4.660 -1.663 -0.577) 4.981 6.363 ( -9.821 -3.628 -12.417) 16.242 6.431 ( -13.921 -0.176 -13.007) 19.052 6.555 ( -8.521 3.878 -4.602) 10.432 6.803 ( -4.957 -9.344 -7.857) 13.177 7.287 ( 0.607 -12.118 2.601) 12.409 7.399 ( 2.324 -6.380 -0.811) 6.839 7.498 ( -4.698 -7.790 -3.620) 9.791 7.698 ( -5.361 -10.304 -2.587) 11.900 7.842 ( -7.995 -10.255 -7.152) 14.840 8.464 ( 6.912 17.121 3.737) 18.838 8.556 ( 3.672 17.145 0.914) 17.557 9.609 ( 11.429 -1.717 7.804) 13.946 9.866 ( 6.103 -1.562 1.504) 6.477 10.807 ( 1.467 14.575 6.997) 16.234 11.387 ( -5.081 11.321 -5.114) 13.422 12.817 ( 0.361 -7.378 5.021) 8.932 12.944 ( 0.467 0.268 3.430) 3.472 13.245 ( -3.770 -4.673 -1.558) 6.203 13.685 ( 9.740 -4.123 0.121) 10.577 13.995 ( -16.659 5.710 -17.192) 24.611 14.475 ( -4.619 0.200 -12.971) 13.771 14.613 ( 10.735 1.028 8.846) 13.948 14.859 ( 3.822 0.234 6.305) 7.377 15.179 ( 4.219 1.128 2.139) 4.863 15.251 ( 0.814 2.627 0.452) 2.787 15.693 ( -5.184 0.984 -3.132) 6.136 15.799 ( -1.677 1.207 -3.225) 3.830 16.399 ( 2.917 -0.147 2.380) 3.768 16.565 ( 7.483 -5.451 6.673) 11.412 16.704 ( 5.145 1.585 -2.494) 5.933 16.941 ( 2.124 -6.451 5.898) 8.995 17.075 ( -3.788 0.036 3.467) 5.135 17.119 ( 2.533 -3.177 2.022) 4.539 17.229 ( 0.281 0.149 0.686) 0.757 17.300 ( -1.449 -0.144 3.336) 3.640 17.475 ( -2.644 -4.080 -1.995) 5.255 17.759 ( 0.867 -3.683 -0.797) 3.866 17.807 ( 0.650 2.821 0.245) 2.906 18.155 ( -1.757 -0.406 -4.199) 4.570 18.196 ( -1.444 0.049 -1.108) 1.821 18.265 ( -2.075 3.210 -6.885) 7.874 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 19.984 1.111 9.081) 21.979 2.154 ( 14.963 9.138 8.589) 19.523 2.493 ( -0.828 3.867 10.326) 11.057 2.638 ( 2.966 -1.311 -5.268) 6.186 2.715 ( 0.997 0.083 -4.730) 4.835 3.070 ( -8.583 0.633 -5.221) 10.066 3.155 ( -7.996 -5.341 -9.330) 13.398 3.268 ( -8.110 -0.125 -8.045) 11.424 3.752 ( 6.114 2.445 2.795) 7.153 4.038 ( 0.292 -0.483 0.216) 0.604 4.191 ( -1.439 2.737 -0.471) 3.128 4.316 ( -8.345 -0.395 0.155) 8.356 4.450 ( 7.811 2.119 0.126) 8.094 4.663 ( 13.810 10.272 13.023) 21.583 4.690 ( 3.887 3.747 -2.448) 5.928 4.933 ( 0.107 14.868 0.153) 14.869 5.803 ( -12.133 1.757 -6.060) 13.675 5.919 ( -20.264 -3.012 -24.440) 31.891 6.041 ( -6.896 0.753 -9.724) 11.945 6.082 ( -10.348 -0.832 -6.845) 12.435 6.347 ( -4.364 8.395 -2.102) 9.692 6.645 ( -0.955 -8.111 -1.360) 8.279 6.825 ( 14.633 -1.476 11.947) 18.949 7.206 ( -7.413 -12.161 -2.425) 14.447 7.340 ( -10.435 -12.134 -3.924) 16.478 7.451 ( 0.869 -6.333 2.609) 6.905 7.627 ( -1.037 -8.854 1.033) 8.975 7.741 ( -2.693 -9.779 -2.012) 10.341 8.588 ( 5.620 15.569 3.917) 17.009 8.638 ( 3.992 16.387 2.230) 17.013 9.812 ( 9.236 -3.255 7.200) 12.155 9.969 ( 4.105 -3.063 3.895) 6.434 10.853 ( 3.574 14.898 4.937) 16.097 11.259 ( -7.897 12.317 -2.753) 14.888 12.835 ( 2.343 -6.521 1.748) 7.146 12.989 ( 2.598 -6.209 -0.283) 6.737 13.194 ( -0.749 -1.033 0.472) 1.361 13.654 ( -14.817 6.578 -12.687) 20.586 13.887 ( 7.435 -3.557 -4.406) 9.346 14.327 ( -8.872 0.745 -13.175) 15.901 14.821 ( 9.879 -3.697 8.987) 13.858 14.970 ( 6.006 0.555 5.296) 8.026 15.224 ( 0.773 0.444 3.943) 4.043 15.253 ( -0.269 1.419 2.265) 2.686 15.609 ( -2.436 4.921 0.152) 5.493 15.769 ( -2.311 2.641 -2.704) 4.430 16.483 ( 5.856 0.477 3.902) 7.053 16.708 ( 6.805 -4.816 7.079) 10.937 16.793 ( 3.326 0.366 0.384) 3.368 16.926 ( -3.324 -5.747 6.895) 9.572 17.015 ( -1.484 0.585 2.179) 2.701 17.141 ( -1.677 -3.601 1.891) 4.400 17.254 ( -1.681 -2.277 3.545) 4.536 17.274 ( 2.641 1.116 3.151) 4.260 17.484 ( 4.061 -3.936 -4.112) 6.992 17.765 ( -0.340 -3.873 -0.628) 3.939 17.821 ( 0.935 3.219 0.085) 3.353 18.082 ( -5.760 0.723 -6.736) 8.892 18.180 ( -0.438 -0.434 -0.194) 0.647 18.218 ( -2.266 2.318 -2.773) 4.266 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 7.718 3.468 5.444) 10.062 2.407 ( 13.826 -1.251 3.865) 14.410 2.476 ( 2.185 2.418 6.384) 7.168 2.660 ( -3.676 -1.516 0.236) 3.984 2.834 ( 11.233 -1.096 -6.388) 12.969 2.932 ( -3.791 1.376 -7.306) 8.345 2.974 ( -9.064 -2.639 -13.218) 16.243 3.078 ( -11.270 -0.698 -7.132) 13.356 3.890 ( 7.343 2.376 4.948) 9.167 3.995 ( -3.391 0.922 2.327) 4.215 4.116 ( -2.996 6.754 1.185) 7.483 4.157 ( -6.754 4.243 2.027) 8.230 4.666 ( 7.784 3.853 -1.981) 8.908 4.769 ( -3.353 9.801 0.452) 10.368 4.850 ( 19.500 0.880 -9.627) 21.765 5.178 ( 16.765 4.033 -0.929) 17.268 5.349 ( -22.360 1.263 -12.564) 25.679 5.616 ( -19.879 0.156 -8.482) 21.613 5.893 ( -0.152 4.850 -15.678) 16.412 5.964 ( -6.292 2.010 -13.138) 14.705 6.400 ( 7.446 5.928 5.306) 10.897 6.550 ( -6.955 0.840 0.362) 7.015 7.066 ( 1.661 -11.148 0.074) 11.271 7.112 ( -1.841 -13.176 -0.766) 13.326 7.201 ( 4.742 -7.878 1.740) 9.358 7.382 ( -7.749 -3.116 5.090) 9.781 7.655 ( 2.725 -11.051 3.142) 11.808 7.702 ( -1.994 -11.486 1.413) 11.743 8.670 ( 2.731 15.341 3.647) 16.003 8.688 ( 0.922 15.641 3.091) 15.970 9.953 ( 5.278 -4.145 6.897) 9.624 10.008 ( -0.334 -4.160 5.950) 7.267 10.950 ( 6.518 14.573 2.261) 16.124 11.098 ( -8.455 13.475 -0.317) 15.911 12.911 ( 5.016 -9.768 -1.647) 11.103 12.993 ( -2.566 -11.714 -2.586) 12.268 13.238 ( 5.276 5.822 -0.297) 7.862 13.395 ( -11.109 9.124 -6.127) 15.627 14.025 ( 6.839 -3.180 -7.951) 10.959 14.164 ( -7.838 -0.852 -11.425) 13.882 14.979 ( 6.113 -4.964 6.368) 10.127 15.039 ( 0.360 -3.684 5.389) 6.537 15.228 ( 0.173 2.284 5.337) 5.808 15.241 ( -0.876 1.792 5.065) 5.443 15.618 ( 3.162 6.429 0.167) 7.166 15.701 ( -4.541 4.609 -1.472) 6.635 16.618 ( 7.788 1.237 5.557) 9.648 16.763 ( -6.215 2.136 5.815) 8.775 16.817 ( 4.236 -5.600 6.398) 9.499 16.878 ( -1.726 -8.288 5.271) 9.973 17.020 ( 2.252 0.267 -1.104) 2.523 17.085 ( -3.624 -1.696 -0.100) 4.002 17.250 ( 1.448 -1.010 5.628) 5.898 17.284 ( -1.363 -0.080 6.383) 6.527 17.616 ( 7.948 -5.969 -4.796) 11.036 17.733 ( -3.583 -6.007 -1.974) 7.267 17.855 ( 3.018 4.713 -1.109) 5.705 17.952 ( -6.846 3.612 -4.784) 9.100 18.177 ( 0.131 -0.051 -0.481) 0.501 18.187 ( -0.999 0.794 -0.933) 1.580 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 23.017 9.321) 24.833 2.263 ( 0.000 12.376 22.462) 25.646 2.561 ( 0.000 -1.363 14.442) 14.507 2.743 ( 0.000 7.662 -6.877) 10.295 2.935 ( 0.000 0.009 20.653) 20.653 2.988 ( 0.000 14.703 -3.338) 15.078 3.069 ( 0.000 -6.747 7.689) 10.229 3.490 ( 0.000 -3.845 1.461) 4.114 3.528 ( 0.000 -4.084 -1.206) 4.259 3.673 ( 0.000 -3.048 -5.325) 6.136 3.848 ( 0.000 3.555 -5.584) 6.619 4.408 ( 0.000 -11.792 -4.003) 12.453 4.782 ( 0.000 -2.772 -1.327) 3.073 4.873 ( 0.000 -3.662 16.301) 16.707 5.174 ( 0.000 20.034 5.202) 20.699 5.542 ( 0.000 23.971 -3.830) 24.275 5.551 ( 0.000 5.863 17.614) 18.564 5.752 ( 0.000 -0.104 14.195) 14.195 6.253 ( 0.000 0.655 -1.740) 1.859 6.616 ( 0.000 -14.005 -3.885) 14.534 6.630 ( 0.000 -1.276 -19.236) 19.278 6.833 ( 0.000 -2.861 -18.835) 19.051 6.845 ( 0.000 1.981 -7.682) 7.933 6.891 ( 0.000 -18.436 3.076) 18.691 7.276 ( 0.000 -15.415 -3.988) 15.923 7.354 ( 0.000 -7.121 -11.666) 13.668 7.679 ( 0.000 -3.490 -8.251) 8.958 7.831 ( 0.000 -8.359 -10.052) 13.074 8.681 ( 0.000 17.387 2.382) 17.549 8.774 ( 0.000 9.281 -1.425) 9.390 9.314 ( 0.000 1.903 11.801) 11.953 9.669 ( 0.000 -4.231 1.292) 4.424 11.144 ( 0.000 22.141 5.438) 22.799 11.713 ( 0.000 13.615 -8.194) 15.891 12.638 ( 0.000 -8.191 6.492) 10.452 13.112 ( 0.000 -13.407 -5.173) 14.370 13.123 ( 0.000 4.700 10.120) 11.158 13.408 ( 0.000 -3.465 9.013) 9.656 14.359 ( 0.000 5.866 5.892) 8.314 14.556 ( 0.000 4.963 -17.934) 18.608 14.587 ( 0.000 2.085 -9.437) 9.664 14.738 ( 0.000 -5.200 -2.709) 5.863 15.152 ( 0.000 7.898 4.547) 9.113 15.305 ( 0.000 7.531 -4.635) 8.843 15.753 ( 0.000 0.624 -1.095) 1.260 15.889 ( 0.000 -1.128 -3.796) 3.960 16.240 ( 0.000 -11.350 3.903) 12.003 16.311 ( 0.000 -8.163 1.707) 8.339 16.633 ( 0.000 2.705 -5.186) 5.849 16.649 ( 0.000 -3.344 -2.504) 4.178 17.092 ( 0.000 -2.732 7.937) 8.394 17.144 ( 0.000 -2.625 3.542) 4.409 17.212 ( 0.000 1.125 3.205) 3.397 17.335 ( 0.000 2.648 1.395) 2.993 17.510 ( 0.000 -10.055 1.730) 10.203 17.563 ( 0.000 -3.978 -2.806) 4.868 17.883 ( 0.000 5.209 -0.253) 5.215 18.142 ( 0.000 -1.944 -0.307) 1.968 18.310 ( 0.000 2.903 -4.935) 5.726 18.329 ( 0.000 2.612 -11.885) 12.169 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 5.841 21.066 8.808) 23.569 2.037 ( -14.648 12.204 24.309) 30.894 2.540 ( -1.576 -2.456 14.038) 14.338 2.729 ( -1.003 3.539 -7.725) 8.556 2.839 ( -8.185 5.832 1.529) 10.166 3.135 ( 8.047 -2.824 4.811) 9.792 3.226 ( 7.500 0.128 8.289) 11.179 3.430 ( -2.176 -0.314 -3.358) 4.014 3.549 ( 3.445 -1.363 0.211) 3.711 3.696 ( 3.260 -3.460 0.443) 4.775 3.915 ( 6.232 3.358 -5.079) 8.713 4.412 ( -0.143 -10.353 -4.238) 11.187 4.661 ( -9.363 2.115 10.353) 14.118 4.779 ( -6.822 -3.295 5.790) 9.535 5.087 ( -7.824 22.620 2.838) 24.103 5.531 ( -1.573 27.161 -4.261) 27.539 5.729 ( 15.285 -1.909 18.080) 23.753 5.871 ( 9.197 1.740 13.123) 16.119 6.187 ( -4.890 0.458 -2.340) 5.441 6.543 ( -8.814 -1.248 -18.654) 20.669 6.600 ( -1.629 -13.962 -4.365) 14.719 6.721 ( -11.738 -3.524 -19.679) 23.183 6.792 ( -5.626 3.529 -7.679) 10.152 6.925 ( 3.441 -18.691 5.032) 19.660 7.260 ( -0.486 -12.568 -5.823) 13.860 7.336 ( -2.405 -11.260 -6.868) 13.407 7.642 ( -4.172 -4.387 -7.861) 9.922 7.783 ( -4.825 -8.446 -9.565) 13.642 8.708 ( 3.023 16.565 3.051) 17.113 8.804 ( 3.224 13.250 -0.337) 13.641 9.392 ( 7.202 -0.258 10.217) 12.503 9.709 ( 3.818 -4.828 1.571) 6.352 11.153 ( 0.963 22.634 5.218) 23.247 11.712 ( -0.432 14.958 -7.878) 16.911 12.626 ( -0.990 -9.915 6.119) 11.693 13.008 ( -6.285 -5.303 0.754) 8.257 13.173 ( 1.240 -2.901 2.900) 4.285 13.451 ( 4.583 -4.481 7.401) 9.791 14.393 ( -11.182 4.502 -14.059) 18.520 14.420 ( 3.439 3.486 1.752) 5.200 14.615 ( 1.918 3.883 -10.772) 11.610 14.788 ( 2.749 -2.904 1.272) 4.196 15.166 ( 1.790 6.020 2.878) 6.909 15.313 ( 0.023 4.941 -4.183) 6.474 15.754 ( 0.104 1.632 -0.584) 1.736 15.864 ( -2.026 0.755 -3.158) 3.827 16.266 ( 2.921 -10.056 5.111) 11.653 16.336 ( 2.964 -7.720 2.279) 8.578 16.651 ( 2.426 0.813 -2.555) 3.616 16.731 ( 6.683 -2.188 -2.552) 7.480 17.061 ( -2.224 -2.653 5.665) 6.639 17.136 ( -1.736 -1.866 4.043) 4.779 17.206 ( 0.026 -0.068 2.898) 2.899 17.336 ( -0.816 1.103 1.374) 1.941 17.443 ( -3.700 -6.072 0.463) 7.125 17.614 ( 2.832 -6.065 -1.283) 6.816 17.884 ( 0.161 5.291 -0.060) 5.294 18.145 ( 0.265 -1.965 -0.293) 2.005 18.275 ( -2.707 2.920 -6.172) 7.345 18.336 ( -0.311 1.923 -9.589) 9.785 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.987 9.764 18.039) 20.536 2.152 ( 8.733 14.144 8.551) 18.693 2.507 ( -0.921 -3.420 9.793) 10.414 2.710 ( -1.683 -0.750 -2.779) 3.334 2.716 ( -3.919 6.192 -0.289) 7.333 3.139 ( -5.631 -7.943 -2.594) 10.077 3.224 ( -3.752 0.927 -1.529) 4.156 3.378 ( -5.319 -1.266 -5.392) 7.679 3.671 ( 7.631 1.752 -2.974) 8.375 3.902 ( 14.366 -0.300 4.884) 15.176 4.037 ( 5.625 0.539 -3.142) 6.466 4.370 ( -4.317 -7.557 -3.693) 9.455 4.537 ( -2.658 4.552 10.653) 11.886 4.689 ( -1.903 -1.663 3.689) 4.471 4.956 ( -2.976 28.171 3.593) 28.555 5.466 ( -5.392 28.696 -2.241) 29.285 5.958 ( 0.303 2.173 -0.177) 2.201 5.987 ( 6.245 2.250 7.205) 9.797 6.228 ( 10.556 -7.027 8.929) 15.509 6.294 ( -17.513 -2.549 -18.331) 25.480 6.427 ( -15.427 0.034 -16.295) 22.439 6.577 ( 0.451 -11.124 -2.875) 11.498 6.637 ( -9.181 2.970 -6.854) 11.836 6.995 ( 2.304 -18.565 4.308) 19.198 7.238 ( -5.453 -12.222 -4.209) 14.029 7.282 ( 0.445 -14.189 -3.285) 14.571 7.514 ( -8.631 -6.339 -4.852) 11.757 7.671 ( -6.116 -7.398 -6.628) 11.665 8.797 ( 5.798 16.521 3.740) 17.904 8.890 ( 5.263 17.113 0.948) 17.929 9.554 ( 8.887 -3.863 8.233) 12.716 9.795 ( 4.603 -6.169 2.558) 8.111 11.181 ( 2.040 23.547 4.463) 24.052 11.679 ( -3.326 17.955 -6.464) 19.371 12.611 ( -0.380 -13.373 4.633) 14.158 12.896 ( -5.060 -7.981 -1.789) 9.618 13.183 ( 0.732 0.709 3.373) 3.523 13.576 ( 7.731 -7.187 3.146) 11.015 14.127 ( -14.508 7.745 -15.579) 22.653 14.459 ( -3.151 -2.220 -9.917) 10.640 14.664 ( 4.648 4.524 3.114) 7.195 14.866 ( 5.994 0.151 4.642) 7.583 15.208 ( 1.597 1.926 1.114) 2.738 15.292 ( -1.648 1.154 -2.749) 3.407 15.746 ( -0.738 5.248 1.578) 5.529 15.849 ( 0.664 4.559 -0.971) 4.708 16.338 ( 4.387 -7.528 4.169) 9.659 16.439 ( 7.341 -8.608 4.589) 12.209 16.703 ( 2.154 -1.075 1.968) 3.109 16.860 ( 5.558 -0.213 0.311) 5.571 17.034 ( -0.266 -4.602 3.165) 5.592 17.081 ( -3.508 -0.555 3.687) 5.119 17.216 ( 0.927 -1.185 1.754) 2.311 17.285 ( -3.095 -2.655 0.015) 4.078 17.409 ( -0.395 -0.951 0.892) 1.362 17.654 ( 1.176 -6.381 -0.959) 6.559 17.891 ( 0.533 5.319 0.104) 5.347 18.148 ( -0.034 -1.648 -0.604) 1.756 18.213 ( -3.627 2.343 -5.209) 6.766 18.308 ( -2.555 1.132 -7.409) 7.919 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 15.170 3.980 8.173) 17.685 2.303 ( 6.443 4.422 5.930) 9.810 2.531 ( 1.917 0.116 8.028) 8.255 2.667 ( 0.350 3.728 -4.390) 5.770 2.693 ( 0.001 -1.176 0.658) 1.348 3.007 ( -6.965 -6.440 -5.817) 11.127 3.114 ( -7.416 0.635 -5.741) 9.400 3.238 ( -8.778 -2.863 -6.855) 11.500 3.828 ( 7.897 5.490 1.336) 9.710 4.061 ( 1.566 2.676 -1.234) 3.337 4.164 ( 6.876 -3.746 -0.122) 7.831 4.281 ( -4.448 -2.880 -0.979) 5.388 4.542 ( 4.044 4.755 -1.436) 6.405 4.688 ( 3.417 -1.175 -2.528) 4.410 5.051 ( 9.884 27.255 7.967) 30.066 5.335 ( -6.782 25.016 -1.371) 25.955 5.842 ( -22.914 0.362 -11.768) 25.762 5.887 ( -9.942 2.170 -14.783) 17.946 6.079 ( -0.119 4.496 -4.101) 6.087 6.140 ( -8.726 6.522 -9.883) 14.709 6.422 ( 3.474 -13.676 -0.204) 14.112 6.492 ( -3.058 5.529 -1.607) 6.519 6.737 ( 15.328 -8.160 10.761) 20.429 6.931 ( -8.604 -17.870 -1.797) 19.914 7.123 ( -7.877 -10.463 -4.772) 13.939 7.288 ( -0.375 -7.732 2.125) 8.028 7.386 ( -2.189 -16.906 1.166) 17.087 7.549 ( -6.896 -8.574 -1.416) 11.094 8.912 ( 5.699 17.259 3.887) 18.586 8.984 ( 3.946 18.604 2.032) 19.126 9.714 ( 7.427 -6.912 7.036) 12.347 9.868 ( 2.589 -7.718 3.917) 9.034 11.235 ( 3.629 24.032 3.090) 24.500 11.583 ( -6.381 20.630 -4.017) 21.964 12.617 ( 1.150 -15.696 2.015) 15.867 12.809 ( -4.236 -13.150 -3.460) 14.242 13.235 ( 5.044 5.297 2.436) 7.709 13.718 ( 4.709 -4.857 -3.016) 7.407 13.867 ( -10.139 6.200 -9.228) 15.046 14.316 ( -9.989 -2.883 -12.819) 16.505 14.794 ( 7.754 1.543 6.558) 10.272 14.980 ( 4.524 0.639 3.995) 6.070 15.207 ( -0.916 -1.830 -0.029) 2.046 15.273 ( -0.692 -0.081 1.285) 1.462 15.748 ( 1.216 9.683 3.685) 10.432 15.862 ( 0.027 7.413 0.283) 7.418 16.442 ( 6.491 -6.654 4.415) 10.291 16.585 ( 6.905 -9.940 5.595) 13.334 16.720 ( -0.008 -3.391 5.597) 6.544 16.905 ( -1.589 3.181 3.045) 4.681 17.014 ( -2.468 -3.511 3.338) 5.437 17.046 ( 0.753 -3.215 2.167) 3.949 17.213 ( -0.500 -1.502 2.973) 3.368 17.298 ( 3.326 0.329 -0.747) 3.425 17.411 ( 1.300 -2.385 -0.982) 2.888 17.656 ( -1.082 -6.688 -1.145) 6.871 17.907 ( 1.341 5.237 -0.259) 5.412 18.122 ( -4.160 2.839 -4.590) 6.814 18.158 ( -0.561 -1.821 -0.785) 2.061 18.247 ( -3.335 0.509 -4.256) 5.431 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 15.360 -1.049 2.455) 15.590 2.413 ( 5.250 1.017 2.759) 6.017 2.510 ( -2.786 1.066 4.603) 5.485 2.617 ( -6.234 -2.908 1.706) 7.088 2.827 ( 10.599 0.335 -5.266) 11.840 2.906 ( -2.273 -2.514 -7.947) 8.639 2.965 ( -6.640 0.463 -6.199) 9.096 3.047 ( -10.735 -2.457 -6.370) 12.722 3.963 ( 5.889 5.078 4.112) 8.797 4.044 ( -2.537 3.930 1.872) 5.039 4.199 ( -1.152 1.128 1.922) 2.508 4.211 ( -2.574 0.760 1.956) 3.321 4.761 ( 15.901 4.951 -10.739) 19.817 4.871 ( 16.412 0.919 -10.728) 19.629 5.033 ( -11.511 15.247 -8.655) 20.974 5.290 ( -19.422 3.614 -13.237) 23.780 5.450 ( 5.588 14.394 3.771) 15.895 5.679 ( -12.486 8.278 -2.361) 15.166 6.031 ( -1.072 9.918 -12.424) 15.933 6.055 ( -3.154 8.254 -9.642) 13.078 6.488 ( 3.943 -9.373 -0.680) 10.192 6.522 ( 2.725 5.492 4.760) 7.762 6.784 ( -2.465 -17.041 -5.388) 18.041 6.909 ( -11.935 -5.723 -4.494) 13.978 7.050 ( 15.008 -8.341 9.955) 19.847 7.263 ( -5.210 -9.383 6.197) 12.393 7.384 ( 0.586 -18.025 3.031) 18.288 7.419 ( -4.706 -14.970 2.833) 15.946 9.001 ( 3.241 18.225 3.633) 18.864 9.028 ( 0.478 18.855 2.981) 19.095 9.832 ( 4.566 -8.702 6.118) 11.576 9.885 ( -0.935 -8.844 5.135) 10.270 11.324 ( 5.669 23.691 1.104) 24.385 11.449 ( -7.057 22.504 -1.346) 23.622 12.657 ( 3.019 -16.862 -0.862) 17.152 12.728 ( -4.121 -16.430 -2.918) 17.189 13.375 ( 9.216 8.519 -0.856) 12.579 13.578 ( -11.537 10.144 -5.847) 16.437 13.926 ( 8.873 -7.224 -4.782) 12.401 14.114 ( -10.426 -4.887 -9.359) 14.838 14.933 ( 6.069 0.552 4.265) 7.438 15.010 ( -1.563 0.999 2.705) 3.280 15.210 ( 1.423 -3.254 2.352) 4.260 15.247 ( -1.944 -1.775 2.644) 3.731 15.790 ( 2.814 11.358 3.465) 12.204 15.841 ( -2.105 10.055 1.865) 10.441 16.575 ( 6.527 -9.258 5.228) 12.476 16.655 ( -0.868 -14.007 5.510) 15.077 16.739 ( 3.037 0.764 6.333) 7.065 16.825 ( -5.357 3.743 5.454) 8.511 16.998 ( 1.034 -3.321 2.164) 4.096 17.037 ( -1.998 -2.728 2.231) 4.051 17.244 ( 3.302 0.965 3.008) 4.569 17.306 ( -2.311 2.392 2.808) 4.353 17.498 ( 6.432 -6.210 -3.324) 9.538 17.606 ( -4.242 -6.924 -2.075) 8.381 17.948 ( 3.078 5.028 -1.380) 6.055 18.027 ( -4.916 4.175 -3.316) 7.252 18.163 ( 0.849 -1.517 -0.977) 1.995 18.192 ( -2.203 -0.510 -1.993) 3.014 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 11.290 11.995) 16.473 2.400 ( 0.000 -2.328 14.429) 14.615 2.622 ( 0.000 11.881 17.588) 21.225 2.862 ( 0.000 -9.935 7.833) 12.651 2.872 ( 0.000 5.487 -0.754) 5.539 2.958 ( 0.000 -4.182 13.660) 14.286 3.281 ( 0.000 15.144 -1.528) 15.221 3.432 ( 0.000 -3.301 -2.723) 4.279 3.440 ( 0.000 -1.243 -1.490) 1.940 3.548 ( 0.000 -10.098 -0.905) 10.138 3.989 ( 0.000 9.480 -8.971) 13.052 4.187 ( 0.000 -11.245 -7.028) 13.261 4.729 ( 0.000 0.224 11.081) 11.083 4.787 ( 0.000 -4.748 15.524) 16.234 5.529 ( 0.000 10.410 12.868) 16.551 5.650 ( 0.000 -4.175 15.796) 16.338 5.791 ( 0.000 21.837 6.762) 22.860 6.035 ( 0.000 11.691 -5.786) 13.044 6.329 ( 0.000 11.128 2.523) 11.410 6.402 ( 0.000 -7.824 -3.495) 8.569 6.438 ( 0.000 -14.431 0.185) 14.432 6.708 ( 0.000 0.439 -20.241) 20.246 6.740 ( 0.000 -14.704 -10.093) 17.835 6.762 ( 0.000 -9.351 -15.173) 17.823 7.074 ( 0.000 2.072 -7.332) 7.619 7.201 ( 0.000 -8.446 -10.463) 13.446 7.661 ( 0.000 1.066 -10.559) 10.613 7.711 ( 0.000 -4.338 -11.083) 11.902 8.912 ( 0.000 4.685 2.986) 5.556 8.913 ( 0.000 5.862 3.770) 6.970 9.386 ( 0.000 6.519 7.408) 9.868 9.543 ( 0.000 -8.544 3.240) 9.138 11.566 ( 0.000 20.702 2.220) 20.820 11.838 ( 0.000 -4.574 -3.936) 6.034 12.587 ( 0.000 6.233 1.955) 6.533 12.828 ( 0.000 -15.705 -3.577) 16.107 13.221 ( 0.000 5.522 9.821) 11.267 13.325 ( 0.000 -5.179 9.532) 10.848 14.470 ( 0.000 5.879 5.465) 8.027 14.574 ( 0.000 -4.279 2.266) 4.842 14.645 ( 0.000 3.449 -16.994) 17.340 14.678 ( 0.000 -0.893 -13.257) 13.287 15.314 ( 0.000 8.068 -2.532) 8.456 15.397 ( 0.000 0.621 -8.092) 8.116 15.815 ( 0.000 6.918 3.710) 7.850 15.913 ( 0.000 4.466 0.278) 4.474 16.009 ( 0.000 -12.128 4.585) 12.966 16.084 ( 0.000 -12.667 3.096) 13.040 16.656 ( 0.000 2.035 -5.140) 5.528 16.671 ( 0.000 0.887 -6.074) 6.138 17.059 ( 0.000 -0.262 7.095) 7.100 17.089 ( 0.000 -2.951 5.353) 6.112 17.244 ( 0.000 2.521 2.938) 3.871 17.319 ( 0.000 -5.350 2.223) 5.794 17.420 ( 0.000 2.346 1.074) 2.580 17.486 ( 0.000 -3.989 -0.819) 4.072 17.987 ( 0.000 5.491 -0.021) 5.491 18.082 ( 0.000 -4.273 0.085) 4.274 18.353 ( 0.000 1.452 -8.221) 8.348 18.361 ( 0.000 0.677 -10.969) 10.990 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -7.191 9.377 19.544) 22.838 2.317 ( -4.565 5.772 11.094) 13.313 2.504 ( -3.871 3.865 12.260) 13.425 2.683 ( -7.340 -8.691 1.801) 11.517 2.938 ( -1.818 5.252 3.615) 6.630 3.045 ( 1.640 -6.105 5.109) 8.128 3.322 ( 0.104 8.492 0.895) 8.540 3.423 ( -2.083 -1.327 -3.903) 4.619 3.527 ( 9.336 0.547 -3.223) 9.892 3.604 ( 8.910 -6.510 0.931) 11.074 4.032 ( 3.857 8.280 -7.968) 12.121 4.211 ( 1.860 -10.340 -6.867) 12.551 4.684 ( -3.970 1.340 12.842) 13.508 4.721 ( -5.236 -2.412 12.434) 13.706 5.513 ( -2.991 17.084 8.454) 19.294 5.682 ( 8.934 -3.713 16.449) 19.084 5.934 ( 8.920 12.705 6.542) 16.846 6.067 ( 2.526 13.283 -4.576) 14.275 6.250 ( -7.514 11.576 1.247) 13.857 6.379 ( -1.452 -7.883 -3.512) 8.751 6.448 ( -1.642 -11.027 -4.131) 11.890 6.601 ( -6.294 -11.078 -9.489) 15.886 6.670 ( -8.332 -1.389 -19.789) 21.516 6.763 ( -0.968 -12.990 -9.299) 16.005 7.031 ( -4.002 -0.215 -5.434) 6.752 7.152 ( -5.057 -9.065 -8.113) 13.174 7.615 ( -4.621 0.875 -9.507) 10.607 7.664 ( -4.505 -4.282 -9.939) 11.723 8.943 ( 4.377 8.149 3.837) 10.015 8.993 ( 6.378 4.213 2.115) 7.931 9.423 ( 3.584 5.097 7.410) 9.681 9.574 ( 2.935 -8.847 3.455) 9.941 11.588 ( 2.100 21.469 2.065) 21.671 11.867 ( 2.719 -3.845 -4.234) 6.333 12.538 ( -4.802 5.076 2.015) 7.272 12.775 ( -5.180 -15.467 -3.435) 16.669 13.230 ( 1.045 5.726 8.388) 10.210 13.347 ( 2.439 -6.183 8.327) 10.654 14.459 ( -3.904 2.355 -4.103) 6.133 14.473 ( -5.908 1.222 -6.697) 9.014 14.687 ( 3.586 3.393 -7.865) 9.286 14.740 ( 4.535 -2.395 -3.117) 6.001 15.289 ( -2.050 6.003 -2.764) 6.919 15.358 ( -3.565 -0.720 -6.930) 7.827 15.845 ( 2.739 8.484 4.209) 9.859 15.927 ( 1.689 6.466 0.863) 6.738 16.052 ( 4.009 -11.910 5.453) 13.698 16.116 ( 3.355 -12.892 3.402) 13.749 16.688 ( 2.974 3.116 -3.077) 5.293 16.730 ( 5.400 -0.531 -5.281) 7.572 17.033 ( -2.290 0.387 5.868) 6.311 17.079 ( -1.144 -3.670 4.626) 6.015 17.222 ( -1.731 1.722 2.642) 3.598 17.279 ( -3.389 -4.513 1.772) 5.916 17.432 ( 1.028 3.253 1.012) 3.559 17.511 ( 1.825 -4.844 -0.308) 5.186 17.989 ( 0.229 5.525 0.035) 5.529 18.085 ( 0.246 -4.301 0.088) 4.309 18.327 ( -2.347 2.229 -8.304) 8.913 18.352 ( -1.357 -0.275 -9.433) 9.534 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -2.679 11.032 15.167) 18.945 2.264 ( -2.049 -4.699 10.735) 11.896 2.499 ( 2.874 5.461 6.332) 8.842 2.627 ( 0.002 -6.392 1.139) 6.492 2.859 ( -5.128 7.223 1.531) 8.989 2.992 ( -5.272 -7.189 0.052) 8.915 3.262 ( -5.272 3.179 -2.497) 6.643 3.331 ( -6.966 -3.527 -4.851) 9.192 3.740 ( 11.665 5.149 -3.151) 13.135 3.845 ( 12.961 -5.201 -0.740) 13.985 4.106 ( 3.103 5.907 -5.755) 8.811 4.232 ( 0.067 -7.022 -5.092) 8.674 4.604 ( -3.037 2.717 9.367) 10.216 4.648 ( -2.113 -2.135 7.262) 7.859 5.509 ( 3.256 27.539 8.069) 28.880 5.912 ( 12.269 -12.283 12.656) 21.485 6.016 ( -7.963 24.929 -6.692) 27.012 6.074 ( 1.651 5.591 -0.228) 5.834 6.124 ( -1.839 0.409 0.485) 1.945 6.244 ( -16.224 -3.480 -16.255) 23.228 6.367 ( -2.489 -4.241 -5.139) 7.113 6.496 ( -3.938 3.382 -6.408) 8.246 6.586 ( -0.004 -15.064 -2.017) 15.198 6.700 ( -4.997 -7.737 -5.877) 10.926 6.961 ( -2.354 -9.799 -1.304) 10.162 7.024 ( -6.843 -10.632 -4.438) 13.400 7.488 ( -8.349 2.021 -6.159) 10.570 7.556 ( -6.537 -4.844 -6.428) 10.369 9.062 ( 7.487 10.855 3.790) 13.720 9.138 ( 8.214 5.744 1.513) 10.137 9.504 ( 4.320 1.370 7.246) 8.546 9.639 ( 3.275 -9.667 3.880) 10.919 11.640 ( 3.221 23.091 1.699) 23.376 11.926 ( 2.834 0.020 -4.792) 5.567 12.421 ( -6.828 0.561 2.131) 7.175 12.648 ( -7.466 -16.131 -3.518) 18.120 13.270 ( 3.468 7.136 5.782) 9.817 13.423 ( 5.503 -8.508 5.320) 11.444 14.273 ( -11.472 7.211 -13.182) 18.904 14.390 ( -6.862 -5.021 -10.469) 13.487 14.765 ( 4.690 5.412 1.494) 7.316 14.846 ( 6.339 -2.679 3.244) 7.608 15.249 ( -2.315 2.315 -3.023) 4.456 15.288 ( -3.053 -1.451 -3.856) 5.128 15.902 ( 3.103 10.967 5.022) 12.455 15.982 ( 3.585 9.149 2.407) 10.116 16.142 ( 5.203 -11.757 5.346) 13.925 16.213 ( 6.322 -13.362 4.175) 15.360 16.742 ( 1.815 4.836 2.499) 5.738 16.844 ( 5.097 -4.269 -0.537) 6.670 16.990 ( -1.496 1.891 2.622) 3.562 17.052 ( -1.319 -2.936 1.760) 3.668 17.199 ( -0.173 -0.235 1.958) 1.980 17.220 ( -1.997 -2.660 1.135) 3.515 17.446 ( 0.176 3.822 0.858) 3.921 17.537 ( 0.684 -5.644 -0.175) 5.688 17.995 ( 0.420 5.469 -0.021) 5.485 18.089 ( 0.247 -4.243 -0.060) 4.251 18.268 ( -3.717 2.793 -6.710) 8.163 18.307 ( -3.201 -1.164 -7.311) 8.066 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 8.996 6.324 6.703) 12.878 2.282 ( 4.200 -5.362 5.031) 8.468 2.563 ( 1.986 3.147 5.051) 6.274 2.628 ( -0.862 -3.470 1.716) 3.966 2.784 ( -1.268 5.921 -1.107) 6.155 2.892 ( -4.104 -5.620 -3.009) 7.582 3.131 ( -8.062 1.387 -5.290) 9.742 3.175 ( -8.896 -3.192 -5.874) 11.128 3.945 ( 8.893 6.466 -0.335) 11.001 4.062 ( 9.040 -5.452 -0.673) 10.578 4.140 ( 0.545 4.051 -2.611) 4.850 4.219 ( -1.243 -3.743 -2.099) 4.468 4.611 ( 4.756 2.802 -0.191) 5.524 4.656 ( 4.597 -2.032 -1.246) 5.179 5.571 ( -4.197 22.615 -3.475) 23.262 5.751 ( -14.890 10.803 -11.313) 21.596 5.819 ( -17.110 3.618 -10.585) 20.442 6.037 ( -2.745 13.796 -2.203) 14.237 6.122 ( 3.543 -15.976 1.527) 16.435 6.238 ( 6.369 9.717 1.625) 11.731 6.309 ( 0.655 4.883 -5.551) 7.422 6.480 ( -1.728 -5.232 -1.650) 5.752 6.571 ( -2.735 -16.168 -0.990) 16.428 6.626 ( 1.465 -1.971 0.906) 2.618 6.922 ( -0.397 -8.171 1.295) 8.283 6.977 ( 1.186 -17.623 1.290) 17.710 7.304 ( -10.371 3.711 -0.634) 11.033 7.407 ( -9.067 -6.618 -1.275) 11.298 9.211 ( 7.444 13.351 4.014) 15.804 9.288 ( 6.718 10.217 2.006) 12.392 9.576 ( 3.023 -4.849 6.627) 8.751 9.683 ( 1.076 -11.081 4.152) 11.882 11.711 ( 4.154 24.535 1.096) 24.908 11.956 ( -0.252 11.795 -4.719) 12.706 12.304 ( -4.337 -11.018 1.845) 11.984 12.501 ( -7.599 -18.512 -3.493) 20.313 13.375 ( 7.531 9.009 2.710) 12.050 13.559 ( 8.491 -9.837 1.656) 13.100 14.036 ( -12.821 9.719 -10.649) 19.293 14.208 ( -11.367 -7.963 -11.069) 17.752 14.873 ( 6.286 5.761 3.972) 9.407 14.967 ( 5.935 -3.055 3.971) 7.766 15.193 ( -3.318 1.227 -2.369) 4.258 15.241 ( -2.402 -2.860 -0.997) 3.866 15.968 ( 3.678 12.989 5.390) 14.536 16.045 ( 2.616 10.991 3.169) 11.734 16.246 ( 5.191 -11.959 5.423) 14.120 16.327 ( 4.503 -14.727 4.827) 16.139 16.758 ( 0.875 5.243 5.862) 7.913 16.882 ( 0.046 -7.420 5.435) 9.198 16.978 ( -1.779 3.701 2.141) 4.631 17.029 ( -1.293 -1.426 1.482) 2.429 17.208 ( 2.373 1.208 0.990) 2.841 17.257 ( 5.161 -3.457 -1.750) 6.453 17.434 ( -1.505 3.934 0.491) 4.241 17.532 ( -1.370 -6.093 -0.488) 6.265 18.008 ( 1.041 5.169 -0.476) 5.294 18.096 ( 0.580 -3.941 -0.521) 4.018 18.188 ( -4.435 3.110 -4.773) 7.220 18.235 ( -3.980 -1.697 -4.713) 6.398 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 11.600 0.632 1.938) 11.777 2.402 ( 7.251 -1.593 1.592) 7.593 2.527 ( -4.969 1.127 2.668) 5.752 2.562 ( -6.616 -2.553 2.062) 7.385 2.843 ( 6.470 1.235 -4.157) 7.789 2.870 ( 2.255 -1.526 -4.631) 5.372 2.972 ( -7.603 0.655 -5.389) 9.342 2.999 ( -9.043 -2.198 -5.818) 10.976 4.070 ( 4.344 5.799 2.972) 7.831 4.127 ( -1.675 4.287 1.362) 4.800 4.167 ( 2.020 -3.933 2.347) 5.006 4.193 ( -1.285 -2.365 1.159) 2.931 4.833 ( 18.012 2.821 -11.221) 21.408 4.870 ( 17.423 -1.071 -11.307) 20.799 5.236 ( -22.150 5.811 -15.855) 27.853 5.298 ( -25.288 -1.451 -16.766) 30.376 5.842 ( 6.589 21.733 2.347) 22.830 5.963 ( -5.362 20.118 0.320) 20.823 6.187 ( 3.560 -11.643 -5.092) 13.197 6.246 ( -1.396 7.964 -6.766) 10.543 6.354 ( 1.021 13.394 -2.742) 13.709 6.409 ( -5.642 -10.697 -0.648) 12.111 6.607 ( 8.089 -8.203 0.915) 11.557 6.702 ( 0.642 -16.233 -1.323) 16.300 6.976 ( 5.657 -1.794 6.095) 8.507 7.018 ( 2.918 -12.396 5.549) 13.891 7.122 ( -6.590 -2.157 4.873) 8.475 7.211 ( -10.764 -8.201 3.769) 14.047 9.332 ( 4.658 16.057 4.143) 17.225 9.370 ( 1.170 16.250 3.338) 16.630 9.628 ( 2.701 -12.198 5.299) 13.571 9.676 ( -1.768 -12.971 4.370) 13.801 11.802 ( 5.302 25.483 -0.106) 26.029 11.904 ( -4.725 23.974 -2.383) 24.551 12.282 ( 2.094 -21.913 -0.478) 22.018 12.366 ( -6.070 -21.468 -2.619) 22.463 13.555 ( 10.877 10.240 -1.162) 14.984 13.738 ( 6.652 -4.370 -3.288) 8.612 13.797 ( -8.335 4.991 -4.926) 10.892 13.977 ( -12.197 -9.190 -6.996) 16.797 14.993 ( 5.818 5.080 2.331) 8.068 15.058 ( 1.804 1.936 1.985) 3.308 15.134 ( -1.274 -2.914 0.370) 3.202 15.183 ( -3.660 -4.506 0.665) 5.843 16.036 ( 3.081 14.288 5.008) 15.450 16.071 ( -0.186 13.766 4.042) 14.348 16.327 ( 3.069 -14.818 5.401) 16.067 16.364 ( -0.499 -15.801 5.108) 16.614 16.807 ( 4.233 4.947 5.908) 8.792 16.903 ( -4.924 4.072 4.898) 8.051 16.908 ( 2.780 -5.231 5.166) 7.860 16.979 ( -3.741 -3.596 3.794) 6.428 17.291 ( 5.135 3.788 -0.011) 6.381 17.362 ( 1.923 0.724 -0.456) 2.105 17.396 ( 0.590 -1.602 -1.075) 2.018 17.480 ( -4.001 -6.109 -1.106) 7.386 18.041 ( 2.468 4.579 -1.421) 5.392 18.104 ( -3.962 3.738 -2.894) 6.168 18.117 ( 1.641 -3.297 -1.322) 3.913 18.164 ( -3.191 -2.417 -2.597) 4.772 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 0.000 17.669) 17.669 2.151 ( 0.000 0.000 -19.597) 19.597 2.491 ( 0.000 0.000 23.731) 23.731 2.736 ( 0.000 0.000 13.749) 13.749 2.807 ( 0.000 0.000 6.583) 6.583 3.146 ( 0.000 0.000 -6.806) 6.806 3.250 ( 0.000 0.000 -11.523) 11.523 3.256 ( 0.000 0.000 -12.519) 12.519 3.627 ( 0.000 0.000 9.284) 9.284 3.723 ( 0.000 0.000 3.442) 3.442 4.114 ( 0.000 0.000 17.156) 17.156 4.438 ( 0.000 0.000 3.923) 3.923 4.630 ( 0.000 0.000 -9.897) 9.897 4.748 ( 0.000 0.000 -8.852) 8.852 5.247 ( 0.000 0.000 8.966) 8.966 5.388 ( 0.000 0.000 26.779) 26.779 5.828 ( 0.000 0.000 16.345) 16.345 6.110 ( 0.000 0.000 -4.295) 4.295 6.163 ( 0.000 0.000 -5.822) 5.822 6.207 ( 0.000 0.000 -2.082) 2.082 6.479 ( 0.000 0.000 -23.309) 23.309 6.745 ( 0.000 0.000 3.306) 3.306 6.808 ( 0.000 0.000 -15.603) 15.603 7.203 ( 0.000 0.000 -16.338) 16.338 7.420 ( 0.000 0.000 5.622) 5.622 7.558 ( 0.000 0.000 -1.883) 1.883 7.960 ( 0.000 0.000 -1.038) 1.038 8.045 ( 0.000 0.000 5.994) 5.994 8.157 ( 0.000 0.000 -11.602) 11.602 8.178 ( 0.000 0.000 -0.661) 0.661 9.459 ( 0.000 0.000 8.028) 8.028 9.663 ( 0.000 0.000 -2.951) 2.951 10.847 ( 0.000 0.000 10.480) 10.480 11.221 ( 0.000 0.000 -8.489) 8.489 12.985 ( 0.000 0.000 7.177) 7.177 13.264 ( 0.000 0.000 -6.977) 6.977 13.283 ( 0.000 0.000 16.782) 16.782 13.667 ( 0.000 0.000 12.251) 12.251 14.062 ( 0.000 0.000 -20.379) 20.379 14.245 ( 0.000 0.000 -15.902) 15.902 14.361 ( 0.000 0.000 7.019) 7.019 14.720 ( 0.000 0.000 -10.176) 10.176 15.174 ( 0.000 0.000 9.120) 9.120 15.218 ( 0.000 0.000 7.963) 7.963 15.669 ( 0.000 0.000 -4.965) 4.965 15.782 ( 0.000 0.000 -9.449) 9.449 16.387 ( 0.000 0.000 1.648) 1.648 16.471 ( 0.000 0.000 -3.077) 3.077 16.584 ( 0.000 0.000 4.845) 4.845 16.769 ( 0.000 0.000 -4.921) 4.921 17.247 ( 0.000 0.000 2.330) 2.330 17.271 ( 0.000 0.000 1.073) 1.073 17.297 ( 0.000 0.000 4.403) 4.403 17.405 ( 0.000 0.000 11.791) 11.791 17.541 ( 0.000 0.000 -4.964) 4.964 17.758 ( 0.000 0.000 -0.132) 0.132 17.764 ( 0.000 0.000 -0.503) 0.503 17.957 ( 0.000 0.000 -13.272) 13.272 18.213 ( 0.000 0.000 0.385) 0.385 18.219 ( 0.000 0.000 -0.154) 0.154 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 12.295 0.000 16.255) 20.381 2.219 ( 6.567 0.000 -17.963) 19.125 2.319 ( -12.584 0.000 24.289) 27.355 2.727 ( -0.945 0.000 13.575) 13.608 2.753 ( -4.793 0.000 3.049) 5.681 3.188 ( 0.069 0.000 -6.964) 6.964 3.231 ( -1.942 0.000 -11.365) 11.530 3.263 ( -0.503 0.000 -12.231) 12.242 3.646 ( 3.229 0.000 8.829) 9.401 3.806 ( 7.249 0.000 0.258) 7.253 4.208 ( 9.921 0.000 18.487) 20.981 4.378 ( -5.740 0.000 3.991) 6.991 4.642 ( 1.161 0.000 -7.756) 7.842 4.680 ( -7.488 0.000 -8.785) 11.543 5.083 ( -20.142 0.000 25.489) 32.487 5.128 ( -10.382 0.000 12.784) 16.469 5.948 ( -6.993 0.000 -6.341) 9.440 6.063 ( -5.386 0.000 -20.604) 21.296 6.208 ( 4.031 0.000 7.510) 8.523 6.209 ( 10.097 0.000 5.467) 11.482 6.414 ( -9.682 0.000 -14.355) 17.315 6.689 ( -3.387 0.000 7.014) 7.789 6.771 ( -3.541 0.000 -14.133) 14.570 7.232 ( 4.242 0.000 -14.123) 14.746 7.456 ( 3.341 0.000 5.104) 6.100 7.568 ( 0.531 0.000 -1.279) 1.385 7.892 ( -6.182 0.000 -1.388) 6.336 8.052 ( -10.006 0.000 -10.161) 14.261 8.144 ( 8.876 0.000 4.380) 9.898 8.235 ( 5.450 0.000 -0.040) 5.450 9.551 ( 8.738 0.000 7.033) 11.216 9.726 ( 6.140 0.000 -2.350) 6.575 10.845 ( -0.175 0.000 10.335) 10.336 11.211 ( -1.114 0.000 -8.091) 8.167 13.000 ( 1.605 0.000 6.764) 6.952 13.182 ( -8.550 0.000 14.372) 16.723 13.263 ( -0.554 0.000 -6.577) 6.600 13.686 ( 2.371 0.000 10.741) 11.000 13.888 ( -14.832 0.000 -20.280) 25.125 14.235 ( -1.204 0.000 -16.006) 16.052 14.509 ( 13.936 0.000 9.506) 16.869 14.882 ( 12.714 0.000 -8.831) 15.480 15.087 ( -4.961 0.000 9.963) 11.130 15.273 ( 1.938 0.000 4.606) 4.997 15.652 ( -1.749 0.000 -4.922) 5.223 15.752 ( -2.455 0.000 -6.733) 7.167 16.399 ( 1.416 0.000 2.070) 2.508 16.502 ( 3.226 0.000 -3.529) 4.781 16.642 ( 5.843 0.000 6.049) 8.410 16.855 ( 8.029 0.000 -4.963) 9.439 17.214 ( -2.928 0.000 2.725) 4.000 17.256 ( -3.066 0.000 5.923) 6.669 17.262 ( -1.264 0.000 0.357) 1.313 17.420 ( -0.128 0.000 6.600) 6.601 17.522 ( -1.176 0.000 -0.999) 1.543 17.762 ( 0.423 0.000 0.211) 0.473 17.778 ( 1.211 0.000 -0.567) 1.338 17.964 ( 0.321 0.000 -13.422) 13.426 18.208 ( -0.538 0.000 0.327) 0.630 18.214 ( -0.521 0.000 -0.113) 0.533 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 18.183 0.000 13.015) 22.361 2.153 ( -2.809 0.000 20.987) 21.174 2.375 ( 8.806 0.000 -13.334) 15.980 2.657 ( -4.372 0.000 -1.655) 4.675 2.703 ( -1.497 0.000 12.707) 12.795 3.122 ( -6.889 0.000 -6.410) 9.410 3.174 ( -3.997 0.000 -10.883) 11.594 3.194 ( -5.794 0.000 -8.367) 10.178 3.726 ( 4.740 0.000 6.281) 7.869 3.965 ( 7.887 0.000 -3.481) 8.621 4.243 ( -7.573 0.000 3.480) 8.334 4.466 ( -12.862 0.000 -3.403) 13.304 4.468 ( 14.988 0.000 12.526) 19.533 4.667 ( 1.416 0.000 -2.528) 2.898 4.771 ( -11.921 0.000 16.862) 20.650 4.935 ( -7.717 0.000 16.975) 18.647 5.701 ( -14.312 0.000 -21.341) 25.696 5.913 ( -9.857 0.000 -23.603) 25.579 6.106 ( -20.022 0.000 -5.649) 20.803 6.231 ( -11.105 0.000 -6.539) 12.887 6.280 ( 3.240 0.000 8.607) 9.197 6.687 ( -4.793 0.000 -10.595) 11.629 6.812 ( 15.723 0.000 17.593) 23.595 7.353 ( 6.972 0.000 -9.033) 11.411 7.483 ( -4.881 0.000 1.573) 5.128 7.559 ( -0.751 0.000 0.320) 0.816 7.781 ( -4.999 0.000 -1.992) 5.381 7.839 ( -7.897 0.000 -5.906) 9.861 8.330 ( 9.376 0.000 2.872) 9.806 8.364 ( 7.376 0.000 0.957) 7.438 9.756 ( 11.562 0.000 5.805) 12.937 9.878 ( 9.024 0.000 -0.781) 9.058 10.839 ( -0.424 0.000 9.450) 9.459 11.169 ( -3.495 0.000 -6.765) 7.614 13.026 ( -6.561 0.000 10.273) 12.189 13.047 ( 3.193 0.000 5.358) 6.237 13.236 ( -1.900 0.000 -3.833) 4.278 13.586 ( -15.401 0.000 -17.534) 23.337 13.762 ( 4.959 0.000 5.204) 7.188 14.185 ( -4.234 0.000 -14.745) 15.341 14.811 ( 15.654 0.000 10.054) 18.604 15.029 ( -0.419 0.000 9.326) 9.336 15.109 ( 9.698 0.000 -4.752) 10.800 15.283 ( -0.157 0.000 0.248) 0.293 15.602 ( -3.396 0.000 -2.216) 4.055 15.710 ( -1.879 0.000 -4.357) 4.745 16.450 ( 4.106 0.000 3.204) 5.208 16.595 ( 6.289 0.000 -4.167) 7.544 16.785 ( 7.984 0.000 7.762) 11.135 17.035 ( 9.004 0.000 -3.741) 9.750 17.144 ( -4.291 0.000 3.242) 5.378 17.216 ( 0.112 0.000 5.363) 5.364 17.221 ( -2.871 0.000 -0.648) 2.943 17.375 ( -3.535 0.000 0.022) 3.535 17.517 ( 0.135 0.000 5.749) 5.750 17.772 ( 0.584 0.000 0.722) 0.929 17.803 ( 1.162 0.000 -0.599) 1.308 17.951 ( -2.045 0.000 -12.877) 13.038 18.194 ( -0.854 0.000 0.213) 0.880 18.201 ( -0.762 0.000 -0.083) 0.766 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 16.442 0.000 9.235) 18.858 2.229 ( 10.007 0.000 11.279) 15.078 2.535 ( 7.506 0.000 -6.308) 9.805 2.609 ( -0.203 0.000 -3.753) 3.759 2.672 ( -1.404 0.000 9.420) 9.524 2.950 ( -10.052 0.000 -5.385) 11.403 3.044 ( -10.010 0.000 -6.298) 11.827 3.073 ( -6.427 0.000 -9.835) 11.749 3.836 ( 6.649 0.000 6.791) 9.504 4.068 ( 2.371 0.000 -3.373) 4.123 4.105 ( -6.144 0.000 2.695) 6.709 4.264 ( -8.089 0.000 -3.091) 8.660 4.624 ( 1.197 0.000 1.725) 2.099 4.624 ( -1.967 0.000 10.431) 10.615 4.742 ( 2.280 0.000 -3.825) 4.453 4.920 ( 9.566 0.000 20.399) 22.530 5.425 ( -15.447 0.000 -27.299) 31.366 5.696 ( -12.385 0.000 -19.051) 22.723 5.725 ( -16.460 0.000 0.063) 16.461 5.948 ( -15.784 0.000 -9.976) 18.672 6.345 ( 3.914 0.000 7.355) 8.332 6.600 ( -4.079 0.000 -6.187) 7.410 7.125 ( 14.850 0.000 13.330) 19.955 7.304 ( -10.392 0.000 -1.484) 10.497 7.416 ( -12.526 0.000 -5.677) 13.753 7.459 ( 3.337 0.000 -3.512) 4.845 7.757 ( 3.314 0.000 2.456) 4.125 7.820 ( 1.569 0.000 -0.585) 1.675 8.481 ( 6.241 0.000 2.673) 6.789 8.499 ( 5.982 0.000 1.526) 6.174 9.967 ( 9.844 0.000 5.415) 11.236 10.047 ( 7.833 0.000 1.328) 7.944 10.833 ( 0.087 0.000 6.986) 6.987 11.076 ( -5.984 0.000 -4.552) 7.518 12.950 ( -1.092 0.000 5.634) 5.739 13.116 ( 3.674 0.000 3.385) 4.996 13.206 ( -0.958 0.000 -0.954) 1.352 13.315 ( -12.501 0.000 -12.592) 17.743 13.850 ( 3.684 0.000 -0.944) 3.803 14.078 ( -6.315 0.000 -11.336) 12.976 15.070 ( 10.740 0.000 8.151) 13.483 15.077 ( 4.991 0.000 7.399) 8.925 15.241 ( 4.092 0.000 -0.702) 4.152 15.295 ( 1.587 0.000 -0.039) 1.588 15.528 ( -3.961 0.000 -0.017) 3.961 15.665 ( -3.179 0.000 -4.537) 5.540 16.561 ( 7.238 0.000 4.738) 8.651 16.733 ( 7.575 0.000 -3.523) 8.354 16.914 ( 5.047 0.000 7.776) 9.270 17.050 ( -5.378 0.000 3.553) 6.446 17.108 ( -0.921 0.000 1.714) 1.946 17.154 ( -4.159 0.000 -1.512) 4.426 17.326 ( 5.979 0.000 0.501) 6.000 17.334 ( 4.074 0.000 1.014) 4.198 17.510 ( -0.863 0.000 5.249) 5.319 17.784 ( 0.706 0.000 0.919) 1.159 17.817 ( 0.295 0.000 -0.419) 0.513 17.879 ( -5.460 0.000 -11.007) 12.287 18.179 ( -0.677 0.000 0.105) 0.685 18.186 ( -0.739 0.000 -0.161) 0.757 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 8.560 0.000 7.192) 11.181 2.487 ( 15.185 0.000 0.099) 15.186 2.576 ( -3.923 0.000 7.348) 8.330 2.655 ( 4.849 0.000 -4.662) 6.727 2.748 ( 9.730 0.000 -4.939) 10.912 2.753 ( -10.642 0.000 -4.281) 11.471 2.821 ( -11.914 0.000 -1.563) 12.016 2.931 ( -8.430 0.000 -8.165) 11.736 3.965 ( 6.212 0.000 4.516) 7.680 4.042 ( 0.293 0.000 2.397) 2.415 4.058 ( -3.066 0.000 0.398) 3.092 4.117 ( -6.806 0.000 -0.360) 6.816 4.654 ( 2.622 0.000 0.744) 2.725 4.715 ( -3.072 0.000 -1.165) 3.286 4.739 ( 13.158 0.000 0.046) 13.158 5.072 ( -19.783 0.000 -13.290) 23.832 5.179 ( 14.269 0.000 4.735) 15.034 5.446 ( -13.447 0.000 -8.396) 15.852 5.567 ( -0.138 0.000 -9.317) 9.319 5.680 ( -10.915 0.000 -12.096) 16.293 6.435 ( 5.147 0.000 4.009) 6.524 6.526 ( -4.035 0.000 -1.024) 4.163 7.159 ( -3.270 0.000 -3.973) 5.146 7.205 ( -7.716 0.000 -5.800) 9.653 7.357 ( 9.002 0.000 7.664) 11.823 7.468 ( -2.562 0.000 2.017) 3.261 7.821 ( 2.470 0.000 2.550) 3.550 7.842 ( 0.258 0.000 1.366) 1.390 8.568 ( 2.594 0.000 2.538) 3.629 8.576 ( 1.829 0.000 2.089) 2.777 10.116 ( 5.162 0.000 5.188) 7.318 10.149 ( 2.030 0.000 3.740) 4.255 10.860 ( 3.076 0.000 2.719) 4.105 10.953 ( -6.209 0.000 -1.522) 6.393 12.982 ( 4.294 0.000 0.071) 4.295 13.109 ( -8.754 0.000 -6.301) 10.786 13.175 ( 2.121 0.000 1.885) 2.838 13.196 ( -0.420 0.000 0.789) 0.894 13.905 ( 2.493 0.000 -5.313) 5.869 13.969 ( -4.560 0.000 -8.238) 9.416 15.196 ( 6.706 0.000 6.465) 9.315 15.221 ( 5.063 0.000 5.211) 7.265 15.273 ( -0.563 0.000 2.371) 2.437 15.302 ( -2.905 0.000 4.873) 5.673 15.495 ( 2.204 0.000 -3.441) 4.086 15.582 ( -5.212 0.000 -4.705) 7.021 16.715 ( 8.253 0.000 5.674) 10.015 16.832 ( -0.790 0.000 2.514) 2.635 16.974 ( 0.661 0.000 -0.612) 0.901 16.989 ( 3.352 0.000 5.414) 6.368 17.057 ( -3.578 0.000 3.094) 4.730 17.060 ( -5.455 0.000 -2.421) 5.968 17.377 ( 3.807 0.000 5.202) 6.446 17.441 ( -1.722 0.000 7.454) 7.650 17.565 ( 9.202 0.000 -5.926) 10.945 17.744 ( -8.443 0.000 -8.394) 11.906 17.800 ( 0.849 0.000 0.668) 1.081 17.814 ( -0.549 0.000 0.098) 0.557 18.171 ( -0.109 0.000 -0.067) 0.128 18.174 ( -0.452 0.000 -0.191) 0.491 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.000 21.773 13.703) 25.726 2.281 ( 0.000 11.955 -17.357) 21.076 2.538 ( 0.000 4.980 22.365) 22.913 2.801 ( 0.000 3.226 12.889) 13.286 2.831 ( 0.000 5.793 7.416) 9.411 3.132 ( 0.000 -0.914 -6.685) 6.747 3.200 ( 0.000 -2.495 -5.280) 5.840 3.345 ( 0.000 5.458 -13.550) 14.608 3.615 ( 0.000 -0.971 4.571) 4.673 3.655 ( 0.000 -6.337 2.934) 6.984 4.036 ( 0.000 -7.606 13.666) 15.640 4.477 ( 0.000 -10.744 -9.859) 14.583 4.593 ( 0.000 14.989 6.280) 16.252 4.975 ( 0.000 18.081 -9.156) 20.267 5.224 ( 0.000 -1.196 11.203) 11.267 5.367 ( 0.000 -2.164 26.263) 26.352 5.841 ( 0.000 1.417 15.846) 15.909 6.105 ( 0.000 -0.566 3.870) 3.912 6.145 ( 0.000 -1.529 -12.675) 12.767 6.220 ( 0.000 1.341 -3.096) 3.374 6.453 ( 0.000 -2.572 -23.026) 23.169 6.735 ( 0.000 -7.603 -12.427) 14.568 6.756 ( 0.000 1.047 2.369) 2.590 7.174 ( 0.000 -2.999 -15.204) 15.497 7.307 ( 0.000 -11.683 4.746) 12.610 7.426 ( 0.000 -11.290 -2.361) 11.535 7.747 ( 0.000 -11.122 -1.337) 11.202 7.873 ( 0.000 -14.099 -7.720) 16.074 8.364 ( 0.000 19.901 3.226) 20.160 8.480 ( 0.000 16.092 -3.228) 16.413 9.483 ( 0.000 1.888 8.217) 8.431 9.680 ( 0.000 1.062 -2.441) 2.662 10.960 ( 0.000 11.685 9.373) 14.980 11.313 ( 0.000 9.541 -8.516) 12.789 12.923 ( 0.000 -6.291 7.183) 9.548 13.195 ( 0.000 -7.197 -6.676) 9.817 13.308 ( 0.000 2.512 16.383) 16.575 13.658 ( 0.000 -1.014 12.357) 12.399 14.092 ( 0.000 3.207 -20.378) 20.629 14.262 ( 0.000 1.731 -16.122) 16.215 14.399 ( 0.000 3.709 7.244) 8.138 14.726 ( 0.000 0.356 -7.979) 7.987 15.188 ( 0.000 1.415 7.356) 7.491 15.224 ( 0.000 0.644 5.251) 5.290 15.680 ( 0.000 1.377 -3.764) 4.008 15.780 ( 0.000 0.031 -8.126) 8.126 16.390 ( 0.000 -0.132 1.446) 1.452 16.451 ( 0.000 -3.471 -0.709) 3.542 16.555 ( 0.000 -1.535 2.151) 2.643 16.705 ( 0.000 -6.216 -4.336) 7.579 17.247 ( 0.000 -1.541 2.761) 3.162 17.251 ( 0.000 0.356 2.186) 2.215 17.325 ( 0.000 2.001 2.688) 3.351 17.361 ( 0.000 -4.172 11.315) 12.060 17.529 ( 0.000 -1.241 -4.969) 5.121 17.681 ( 0.000 -7.588 -1.742) 7.785 17.796 ( 0.000 3.699 0.412) 3.722 18.000 ( 0.000 3.722 -10.955) 11.570 18.208 ( 0.000 -0.744 -0.091) 0.750 18.225 ( 0.000 0.488 -1.029) 1.139 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 9.311 19.181 13.035) 24.991 2.334 ( 4.970 10.478 -15.559) 19.406 2.363 ( -12.749 4.501 22.734) 26.451 2.754 ( -5.721 0.384 3.232) 6.582 2.792 ( -1.563 6.098 13.236) 14.657 3.160 ( 0.705 -1.327 -5.858) 6.047 3.272 ( 1.918 0.757 -10.391) 10.593 3.276 ( -5.395 2.700 -8.980) 10.819 3.620 ( 2.533 -2.466 5.286) 6.359 3.753 ( 7.646 -4.348 -0.871) 8.839 4.098 ( 5.957 -8.920 12.715) 16.635 4.469 ( -0.912 -9.386 -8.251) 12.530 4.577 ( -0.769 16.699 8.199) 18.620 4.919 ( -7.850 15.750 -4.403) 18.140 5.109 ( -10.629 -0.606 14.331) 17.852 5.121 ( -13.543 4.448 20.421) 24.904 5.948 ( -6.747 0.195 -6.720) 9.525 6.068 ( -5.633 0.550 -20.324) 21.098 6.139 ( 3.086 -3.919 6.540) 8.225 6.237 ( 9.864 0.106 6.718) 11.935 6.406 ( -8.107 -0.897 -12.760) 15.144 6.692 ( -4.844 -2.889 -1.784) 5.916 6.717 ( -1.806 -2.732 -4.081) 5.233 7.192 ( 3.165 -3.986 -13.208) 14.155 7.333 ( 2.543 -12.412 4.679) 13.507 7.450 ( 1.455 -10.182 -2.779) 10.655 7.724 ( -2.858 -11.544 -2.035) 12.066 7.825 ( -5.110 -13.505 -7.567) 16.302 8.408 ( 4.622 19.166 3.069) 19.953 8.494 ( 2.076 16.984 -1.607) 17.186 9.565 ( 7.808 0.922 7.360) 10.770 9.738 ( 5.658 0.588 -1.944) 6.011 10.959 ( -0.043 11.847 9.240) 15.024 11.306 ( -0.881 9.811 -8.181) 12.805 12.927 ( 0.433 -7.244 6.813) 9.954 13.143 ( -5.941 -5.925 1.234) 8.481 13.265 ( -2.442 1.893 6.534) 7.228 13.676 ( 1.934 -1.202 10.347) 10.595 13.932 ( -13.370 4.450 -19.265) 23.868 14.245 ( -1.529 0.967 -15.842) 15.945 14.540 ( 12.712 2.978 8.737) 15.710 14.855 ( 9.167 -2.123 -4.735) 10.534 15.132 ( -1.717 3.821 5.503) 6.916 15.264 ( 1.072 -0.876 2.673) 3.010 15.670 ( -0.911 2.139 -3.347) 4.075 15.759 ( -1.657 0.984 -5.683) 6.000 16.401 ( 1.375 -0.277 1.952) 2.404 16.488 ( 3.655 -2.573 -1.690) 4.779 16.612 ( 5.719 -2.002 3.817) 7.161 16.793 ( 8.118 -6.071 -4.345) 11.029 17.216 ( -2.565 -0.020 2.896) 3.869 17.228 ( -2.961 -1.730 4.425) 5.598 17.277 ( -2.301 0.250 2.671) 3.535 17.395 ( 0.335 -2.001 5.626) 5.981 17.497 ( -1.942 -2.492 -1.582) 3.534 17.703 ( 1.716 -6.347 -2.160) 6.920 17.803 ( 0.608 3.644 0.663) 3.754 18.004 ( 0.115 3.501 -10.802) 11.355 18.203 ( -0.498 -0.772 -0.002) 0.919 18.220 ( -0.493 0.570 -1.095) 1.329 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 13.148 12.084 12.066) 21.552 2.194 ( -2.233 4.530 19.082) 19.739 2.454 ( 6.441 6.843 -11.448) 14.811 2.641 ( -4.855 -0.816 -1.413) 5.121 2.759 ( -1.980 4.741 12.608) 13.614 3.126 ( -6.586 -2.816 -7.980) 10.723 3.132 ( -6.471 0.948 -5.905) 8.812 3.237 ( -5.169 1.863 -9.137) 10.662 3.699 ( 5.665 -2.007 4.895) 7.751 3.912 ( 7.567 -3.509 -4.028) 9.263 4.195 ( 2.440 -6.859 5.114) 8.897 4.418 ( -5.051 -6.167 -5.809) 9.863 4.612 ( 1.425 15.331 9.702) 18.199 4.684 ( -8.402 7.066 10.897) 15.468 4.927 ( -6.862 -0.543 17.147) 18.477 4.976 ( -3.668 16.851 3.610) 17.619 5.703 ( -14.187 0.457 -21.278) 25.578 5.914 ( -9.613 0.126 -23.398) 25.296 6.089 ( -15.318 -1.225 -1.646) 15.454 6.177 ( -8.643 -1.569 -1.589) 8.926 6.375 ( 0.106 5.309 1.128) 5.429 6.623 ( -2.872 -6.595 -5.352) 8.966 6.796 ( 13.155 -2.049 14.269) 19.516 7.272 ( 1.740 -8.206 -5.165) 9.851 7.364 ( -0.318 -10.126 -1.978) 10.323 7.441 ( -3.169 -11.513 -2.470) 12.194 7.651 ( -3.208 -10.540 -1.500) 11.119 7.723 ( -2.788 -9.427 -4.405) 10.772 8.527 ( 6.997 16.801 2.638) 18.391 8.569 ( 5.274 16.887 0.314) 17.695 9.749 ( 10.411 -1.107 6.186) 12.161 9.876 ( 8.048 -0.812 -0.577) 8.109 10.958 ( -0.075 12.345 8.393) 14.928 11.270 ( -3.074 10.523 -6.950) 12.980 12.929 ( -1.031 -9.044 6.026) 10.917 13.023 ( -4.340 -4.458 3.697) 7.237 13.229 ( -1.465 0.697 1.223) 2.031 13.638 ( -11.507 4.307 -14.074) 18.683 13.766 ( 2.639 0.728 3.491) 4.437 14.192 ( -4.278 0.503 -14.781) 15.396 14.800 ( 12.316 -0.901 9.373) 15.503 14.972 ( 4.062 -2.848 4.089) 6.428 15.182 ( 5.595 4.382 -0.805) 7.152 15.262 ( -0.498 -2.160 -0.393) 2.251 15.646 ( -1.600 4.641 -0.844) 4.981 15.734 ( -0.906 2.785 -3.486) 4.553 16.453 ( 4.259 -0.159 3.125) 5.284 16.588 ( 6.676 -1.476 -3.179) 7.540 16.752 ( 7.801 -2.594 6.431) 10.438 16.969 ( 8.499 -6.231 -2.795) 10.902 17.144 ( -4.419 -0.370 3.454) 5.621 17.185 ( -0.942 -2.240 3.898) 4.594 17.236 ( -1.703 0.695 0.568) 1.925 17.350 ( -3.605 -2.470 -0.217) 4.376 17.488 ( 0.206 -2.611 5.002) 5.646 17.731 ( 0.962 -5.500 -2.571) 6.147 17.816 ( 0.674 3.473 0.884) 3.646 17.991 ( -1.692 3.404 -9.593) 10.318 18.191 ( -0.743 -0.733 0.049) 1.044 18.207 ( -0.883 0.594 -1.083) 1.519 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 10.387 0.843 11.210) 15.305 2.319 ( 11.136 7.005 8.053) 15.425 2.552 ( 3.233 0.843 -3.734) 5.010 2.611 ( 2.764 0.685 -5.873) 6.527 2.715 ( -2.463 3.819 10.420) 11.368 2.946 ( -9.785 -0.991 -5.990) 11.515 3.003 ( -8.442 -1.733 -5.899) 10.444 3.106 ( -7.918 1.307 -8.350) 11.581 3.838 ( 8.223 0.665 5.325) 9.819 4.011 ( 2.624 -1.816 -2.665) 4.157 4.198 ( -1.965 3.713 1.422) 4.435 4.297 ( -6.210 0.743 -1.854) 6.523 4.527 ( -0.249 -2.298 8.129) 8.451 4.672 ( -1.314 4.267 0.861) 4.547 4.844 ( -5.331 7.159 0.827) 8.965 5.024 ( 9.562 11.216 11.944) 18.971 5.428 ( -15.035 0.862 -23.634) 28.024 5.729 ( -8.879 3.458 -17.484) 19.912 5.746 ( -15.808 2.468 0.298) 16.002 5.955 ( -13.697 1.431 -8.157) 16.006 6.402 ( 3.422 4.993 5.052) 7.884 6.574 ( -1.832 -3.673 -3.974) 5.713 7.078 ( 10.997 -4.470 10.495) 15.844 7.166 ( -7.383 -11.546 -0.103) 13.705 7.243 ( -10.800 -13.750 -4.692) 18.103 7.444 ( 2.671 -4.468 -3.648) 6.356 7.663 ( 3.088 -9.108 2.467) 9.929 7.722 ( 1.141 -9.792 -0.551) 9.874 8.651 ( 5.524 15.320 2.473) 16.472 8.673 ( 4.855 15.917 1.208) 16.684 9.939 ( 8.849 -3.182 5.556) 10.922 10.022 ( 6.506 -2.984 1.355) 7.285 10.961 ( 0.644 13.197 6.084) 14.546 11.187 ( -5.326 11.582 -4.712) 13.591 12.889 ( -1.623 -7.348 3.670) 8.372 12.988 ( -1.150 -10.572 -0.363) 10.641 13.218 ( 0.611 2.539 2.037) 3.312 13.431 ( -8.571 8.754 -9.922) 15.765 13.840 ( 3.643 -1.290 0.165) 3.868 14.085 ( -6.288 0.479 -11.365) 12.997 14.975 ( 6.689 -5.173 6.975) 10.961 15.073 ( 5.344 -2.584 4.161) 7.249 15.266 ( 2.312 -0.408 -0.468) 2.394 15.277 ( 2.319 -0.176 0.996) 2.530 15.616 ( -1.179 8.190 1.108) 8.349 15.712 ( -1.707 5.192 -3.061) 6.264 16.567 ( 7.521 0.281 4.641) 8.843 16.735 ( 8.083 -0.648 -3.118) 8.688 16.874 ( 4.347 -3.590 7.093) 9.061 17.029 ( -3.381 -5.139 3.270) 6.966 17.064 ( -2.680 -0.880 1.945) 3.427 17.147 ( -3.648 -1.041 -0.899) 3.898 17.303 ( 4.537 -2.724 1.093) 5.404 17.313 ( 4.556 -1.324 0.305) 4.754 17.482 ( -0.897 -2.498 4.903) 5.575 17.731 ( -1.352 -5.847 -3.582) 6.989 17.828 ( 0.617 3.496 0.714) 3.621 17.940 ( -3.296 4.169 -6.600) 8.474 18.177 ( -0.648 -0.580 -0.081) 0.874 18.189 ( -0.949 0.269 -0.793) 1.266 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 11.644 -1.070 2.372) 11.932 2.483 ( 7.116 -0.189 4.675) 8.517 2.579 ( -1.409 0.354 2.214) 2.648 2.685 ( -0.210 -2.134 1.136) 2.426 2.711 ( 1.434 3.232 -5.924) 6.899 2.779 ( -4.197 -0.390 -2.096) 4.708 2.839 ( -4.913 2.364 -3.486) 6.471 2.947 ( -8.450 0.884 -6.741) 10.846 3.985 ( 6.045 2.104 4.424) 7.781 4.033 ( 0.260 0.863 1.536) 1.781 4.145 ( -1.901 7.105 1.464) 7.499 4.186 ( -5.260 5.215 0.567) 7.428 4.627 ( 6.289 -2.308 0.724) 6.738 4.715 ( 9.504 -1.029 -4.786) 10.691 4.730 ( -5.447 2.162 -3.342) 6.746 5.016 ( -16.594 -2.936 -14.092) 21.968 5.309 ( 8.760 10.839 5.567) 15.007 5.502 ( -10.348 5.704 -2.744) 12.130 5.632 ( -0.650 6.868 -10.669) 12.705 5.719 ( -9.342 4.446 -11.294) 15.316 6.489 ( 4.812 5.288 3.641) 8.023 6.550 ( -1.347 1.671 -0.241) 2.159 6.991 ( -4.532 -14.347 -3.851) 15.531 7.026 ( -7.741 -15.408 -5.352) 18.055 7.336 ( 9.086 -3.448 7.209) 12.100 7.450 ( -2.666 -3.072 1.560) 4.357 7.718 ( 2.098 -10.394 2.783) 10.963 7.737 ( 0.098 -10.831 1.633) 10.954 8.729 ( 2.355 14.984 2.261) 15.335 8.737 ( 1.563 15.166 1.808) 15.353 10.072 ( 4.571 -4.716 4.930) 8.213 10.103 ( 1.463 -4.807 3.472) 6.107 10.994 ( 3.048 13.724 2.314) 14.248 11.079 ( -5.446 12.925 -1.605) 14.117 12.892 ( 1.820 -9.076 -0.176) 9.258 12.945 ( -3.108 -11.748 -2.385) 12.384 13.251 ( 2.587 5.488 1.369) 6.219 13.314 ( -4.126 8.672 -2.529) 9.931 13.900 ( 3.000 -0.737 -4.323) 5.313 13.973 ( -4.864 0.196 -7.855) 9.241 15.087 ( 4.714 -6.387 4.857) 9.306 15.133 ( 0.426 -6.341 3.666) 7.337 15.298 ( 0.921 -1.944 1.549) 2.651 15.304 ( 0.408 0.218 1.678) 1.741 15.617 ( 1.511 10.470 0.220) 10.580 15.665 ( -2.927 8.309 -1.936) 9.020 16.728 ( 8.633 0.880 5.564) 10.308 16.853 ( 0.057 1.972 2.214) 2.965 16.930 ( 1.984 -5.728 4.996) 7.856 16.939 ( -1.646 -5.947 1.624) 6.380 17.019 ( -1.634 -1.513 1.118) 2.493 17.063 ( -4.802 0.182 -1.837) 5.144 17.356 ( 3.826 -2.025 4.864) 6.512 17.419 ( -1.594 -1.929 6.962) 7.398 17.519 ( 7.994 -4.080 -4.719) 10.140 17.664 ( -5.805 -5.705 -5.066) 9.587 17.845 ( 1.269 3.912 -0.036) 4.112 17.880 ( -2.558 4.609 -2.394) 5.790 18.169 ( -0.108 -0.423 -0.280) 0.519 18.173 ( -0.563 -0.172 -0.501) 0.773 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.000 20.631 8.521) 22.322 2.511 ( 0.000 9.666 -11.661) 15.146 2.661 ( 0.000 7.018 18.119) 19.431 2.857 ( 0.000 5.573 12.095) 13.318 3.024 ( 0.000 12.243 6.808) 14.008 3.088 ( 0.000 -4.852 0.278) 4.860 3.173 ( 0.000 0.645 -3.007) 3.075 3.436 ( 0.000 2.909 -9.028) 9.485 3.521 ( 0.000 -6.886 1.400) 7.027 3.587 ( 0.000 -2.311 -3.039) 3.818 3.858 ( 0.000 -9.355 6.809) 11.571 4.249 ( 0.000 -12.906 -10.402) 16.576 4.908 ( 0.000 13.756 14.665) 20.107 5.283 ( 0.000 -1.689 20.507) 20.576 5.302 ( 0.000 13.395 9.093) 16.190 5.416 ( 0.000 22.737 -4.299) 23.140 5.885 ( 0.000 3.377 14.334) 14.726 6.064 ( 0.000 -3.838 16.106) 16.557 6.141 ( 0.000 1.525 -24.862) 24.909 6.261 ( 0.000 3.280 -2.290) 4.000 6.391 ( 0.000 -3.703 -22.043) 22.352 6.541 ( 0.000 -11.793 -6.559) 13.494 6.782 ( 0.000 1.380 -0.102) 1.383 6.980 ( 0.000 -20.946 4.437) 21.411 7.104 ( 0.000 -5.466 -13.477) 14.543 7.173 ( 0.000 -16.038 -6.057) 17.143 7.562 ( 0.000 -7.304 -3.542) 8.117 7.647 ( 0.000 -9.417 -7.954) 12.327 8.724 ( 0.000 17.088 1.940) 17.197 8.763 ( 0.000 13.339 -0.227) 13.341 9.505 ( 0.000 0.204 7.872) 7.874 9.671 ( 0.000 -2.542 -1.140) 2.786 11.264 ( 0.000 19.123 6.856) 20.315 11.556 ( 0.000 14.563 -7.988) 16.610 12.764 ( 0.000 -9.537 6.520) 11.553 13.004 ( 0.000 -12.356 -5.832) 13.663 13.373 ( 0.000 4.207 15.690) 16.245 13.624 ( 0.000 -2.710 12.697) 12.983 14.179 ( 0.000 5.563 -19.957) 20.718 14.303 ( 0.000 2.203 -16.773) 16.917 14.488 ( 0.000 5.316 7.159) 8.917 14.720 ( 0.000 -1.265 -2.502) 2.804 15.222 ( 0.000 1.827 2.303) 2.940 15.241 ( 0.000 0.967 -1.429) 1.726 15.735 ( 0.000 4.826 -0.575) 4.860 15.802 ( 0.000 2.938 -4.402) 5.292 16.311 ( 0.000 -10.426 2.959) 10.838 16.337 ( 0.000 -7.262 0.997) 7.330 16.560 ( 0.000 1.320 -2.200) 2.565 16.590 ( 0.000 -3.604 -2.920) 4.638 17.219 ( 0.000 -1.424 3.842) 4.097 17.259 ( 0.000 -0.157 3.043) 3.047 17.274 ( 0.000 -3.755 8.274) 9.086 17.362 ( 0.000 1.655 1.551) 2.268 17.498 ( 0.000 -1.885 -3.769) 4.214 17.518 ( 0.000 -8.570 -1.205) 8.654 17.886 ( 0.000 5.481 0.931) 5.559 18.076 ( 0.000 3.738 -8.059) 8.883 18.180 ( 0.000 -2.160 -1.485) 2.621 18.230 ( 0.000 -0.197 -3.231) 3.237 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 4.592 18.570 8.170) 20.801 2.476 ( -13.468 6.844 19.477) 24.650 2.533 ( 1.699 8.540 -10.567) 13.693 2.760 ( -7.512 0.224 6.636) 10.025 2.934 ( -4.674 7.707 8.649) 12.492 3.143 ( 0.840 -0.495 -1.288) 1.616 3.284 ( 3.433 0.635 -5.702) 6.686 3.315 ( -8.324 1.360 -5.899) 10.293 3.561 ( 3.287 -3.489 1.788) 5.116 3.687 ( 9.016 -2.540 -3.824) 10.117 3.916 ( 5.538 -8.598 5.543) 11.632 4.261 ( 0.830 -11.793 -9.669) 15.272 4.927 ( 2.313 13.085 18.333) 22.642 5.077 ( -15.569 1.409 20.244) 25.577 5.195 ( -10.279 15.797 8.436) 20.649 5.420 ( 0.030 25.218 -5.230) 25.755 5.963 ( -4.770 1.399 -6.214) 7.958 6.073 ( 1.093 -2.804 -0.186) 3.015 6.084 ( -6.125 0.842 -14.876) 16.109 6.224 ( 7.020 -1.037 6.406) 9.560 6.381 ( -4.865 -1.387 -9.376) 10.654 6.527 ( -1.253 -10.468 -4.533) 11.476 6.726 ( -5.003 -0.027 0.909) 5.085 7.021 ( 3.394 -19.415 4.455) 20.207 7.084 ( 1.035 -7.954 -11.525) 14.042 7.214 ( 1.487 -14.479 -6.128) 15.792 7.526 ( -3.562 -7.664 -3.630) 9.198 7.608 ( -3.683 -9.154 -7.617) 12.465 8.760 ( 3.767 16.757 2.257) 17.323 8.802 ( 3.941 14.979 -0.079) 15.489 9.565 ( 5.743 -1.060 7.364) 9.398 9.717 ( 4.468 -3.226 -0.814) 5.571 11.270 ( 0.567 19.635 6.732) 20.765 11.559 ( 0.084 15.388 -7.880) 17.289 12.747 ( -1.732 -10.953 6.210) 12.709 12.961 ( -4.353 -12.397 -4.420) 13.863 13.334 ( -3.011 4.931 12.652) 13.908 13.635 ( 1.195 -3.242 10.907) 11.441 14.043 ( -11.186 6.807 -18.197) 22.419 14.263 ( -3.024 0.572 -15.884) 16.180 14.612 ( 10.293 4.440 7.158) 13.300 14.818 ( 7.256 -1.799 -0.295) 7.481 15.198 ( -0.286 2.546 0.391) 2.591 15.244 ( -1.041 -1.099 -2.270) 2.728 15.746 ( 1.260 6.200 0.054) 6.326 15.805 ( 0.550 4.485 -2.724) 5.276 16.342 ( 2.464 -7.849 2.718) 8.664 16.376 ( 4.369 -8.397 1.414) 9.570 16.607 ( 4.918 1.058 -1.003) 5.129 16.675 ( 8.032 -4.197 -3.132) 9.588 17.184 ( -3.742 -2.415 5.684) 7.221 17.214 ( -3.223 -1.029 3.379) 4.781 17.265 ( -0.772 -0.913 3.187) 3.404 17.363 ( -2.331 -2.033 0.988) 3.247 17.441 ( -1.016 -2.292 0.308) 2.525 17.579 ( 2.893 -5.779 -2.616) 6.972 17.891 ( 0.489 5.400 1.115) 5.536 18.077 ( -0.087 3.762 -7.985) 8.828 18.174 ( -0.568 -2.299 -0.872) 2.524 18.226 ( -0.444 -0.214 -3.286) 3.322 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -1.559 9.001 14.209) 16.892 2.334 ( 3.168 9.213 10.824) 14.563 2.564 ( -0.026 3.340 -5.526) 6.457 2.626 ( -3.987 -0.891 -1.113) 4.235 2.859 ( -3.625 5.341 10.831) 12.609 3.070 ( -7.520 -3.013 -3.625) 8.875 3.158 ( -7.904 1.505 -5.331) 9.652 3.247 ( -5.786 -0.764 -7.638) 9.613 3.680 ( 8.854 0.508 3.432) 9.509 3.876 ( 9.217 -0.280 -5.241) 10.607 4.037 ( 6.460 -8.040 2.698) 10.661 4.266 ( -0.410 -8.844 -6.882) 11.214 4.786 ( -13.224 5.226 15.599) 21.107 4.912 ( -9.324 -0.214 16.753) 19.174 5.077 ( 3.799 28.147 8.195) 29.561 5.386 ( -4.605 25.072 -5.177) 26.011 5.732 ( -13.483 2.854 -20.966) 25.090 5.919 ( -7.926 0.563 -21.713) 23.121 6.095 ( -7.962 2.517 2.796) 8.806 6.179 ( -7.509 1.574 -1.473) 7.812 6.396 ( 2.609 -7.538 2.730) 8.431 6.496 ( -2.696 -1.951 -4.135) 5.308 6.715 ( 8.832 -7.105 12.311) 16.735 7.051 ( -2.446 -15.522 1.688) 15.804 7.147 ( 1.772 -11.809 -5.757) 13.256 7.193 ( -1.032 -13.750 -5.641) 14.898 7.448 ( -3.409 -9.210 -1.489) 9.932 7.543 ( -2.098 -8.194 -5.848) 10.283 8.860 ( 6.138 16.823 2.656) 18.103 8.903 ( 6.045 17.124 0.270) 18.162 9.701 ( 7.670 -3.978 6.438) 10.775 9.822 ( 5.853 -5.123 0.092) 7.779 11.284 ( 0.897 20.826 6.037) 21.702 11.547 ( -1.582 17.461 -7.051) 18.897 12.704 ( -2.464 -13.944 4.862) 14.972 12.855 ( -5.906 -12.580 -2.619) 14.142 13.293 ( -0.849 5.623 8.216) 9.992 13.664 ( 0.875 -2.704 3.404) 4.435 13.837 ( -8.398 7.123 -11.192) 15.701 14.189 ( -4.907 -1.363 -14.972) 15.814 14.798 ( 7.648 1.324 7.808) 11.009 14.946 ( 6.187 -0.309 2.597) 6.717 15.208 ( -1.169 -2.947 -1.333) 3.439 15.232 ( 2.352 0.464 -2.562) 3.508 15.776 ( 1.563 8.918 1.529) 9.182 15.830 ( 1.897 7.614 -1.083) 7.921 16.408 ( 4.756 -5.891 3.280) 8.251 16.494 ( 7.420 -8.872 0.436) 11.574 16.731 ( 6.909 0.712 2.323) 7.324 16.853 ( 8.802 -4.083 -1.800) 9.868 17.106 ( -3.142 -3.388 4.025) 6.128 17.149 ( -3.786 -1.958 2.789) 5.094 17.241 ( -1.260 -0.280 0.953) 1.605 17.294 ( -3.153 -2.902 0.106) 4.286 17.447 ( 0.353 -0.994 3.434) 3.592 17.618 ( 1.048 -5.848 -2.948) 6.632 17.901 ( 0.496 5.190 1.233) 5.357 18.063 ( -1.522 3.931 -7.136) 8.288 18.161 ( -0.635 -2.421 -0.042) 2.503 18.211 ( -1.068 -0.358 -3.034) 3.237 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 6.317 2.737 10.536) 12.586 2.419 ( 2.523 1.927 5.418) 6.280 2.571 ( 4.041 1.624 -2.093) 4.832 2.615 ( 0.044 -0.398 -3.780) 3.801 2.791 ( -3.110 3.522 9.132) 10.270 2.905 ( -8.730 -2.282 -3.588) 9.710 3.003 ( -7.948 0.958 -5.801) 9.887 3.104 ( -8.385 -1.480 -6.715) 10.844 3.875 ( 10.521 3.248 3.324) 11.502 4.015 ( 5.047 2.089 -3.148) 6.305 4.168 ( 7.135 -5.265 0.867) 8.909 4.252 ( -0.796 -4.295 -2.238) 4.908 4.596 ( -5.795 6.269 7.582) 11.418 4.730 ( -6.957 1.027 7.004) 9.925 5.074 ( -9.654 15.899 -8.136) 20.302 5.286 ( -7.081 12.254 -10.014) 17.337 5.505 ( -5.326 10.302 -5.905) 13.014 5.815 ( -7.167 6.016 -4.210) 10.261 5.864 ( -6.437 11.454 -6.933) 14.855 6.031 ( -9.878 6.937 -6.282) 13.608 6.416 ( 1.498 -10.799 0.869) 10.937 6.493 ( 3.304 0.926 -0.365) 3.451 6.895 ( -11.048 -14.728 -0.344) 18.415 6.969 ( 10.690 -12.627 10.028) 19.346 7.033 ( -6.741 -3.734 -3.242) 8.360 7.283 ( 5.410 -12.299 -2.869) 13.739 7.428 ( 0.816 -14.282 2.729) 14.563 7.515 ( -1.726 -9.820 -1.948) 10.159 8.977 ( 5.621 17.641 2.736) 18.716 9.013 ( 4.848 18.443 0.862) 19.089 9.840 ( 6.405 -7.252 5.488) 11.123 9.922 ( 4.035 -7.685 1.391) 8.790 11.306 ( 1.555 22.040 4.264) 22.503 11.495 ( -3.667 19.844 -4.936) 20.775 12.661 ( -1.793 -15.883 2.401) 16.164 12.752 ( -4.641 -14.611 -2.520) 15.536 13.310 ( 2.639 6.874 5.322) 9.085 13.603 ( -6.024 8.540 -8.650) 13.567 13.792 ( 2.368 -3.418 1.748) 4.510 14.076 ( -6.472 -2.069 -11.411) 13.281 14.915 ( 5.266 -0.546 5.745) 7.813 15.039 ( 2.718 -0.217 1.272) 3.009 15.204 ( 1.028 -4.391 0.208) 4.515 15.271 ( 0.931 -2.199 -1.311) 2.724 15.808 ( 1.887 11.775 2.578) 12.201 15.863 ( 1.142 10.405 -0.279) 10.471 16.528 ( 7.401 -6.140 4.331) 10.547 16.643 ( 7.339 -10.096 0.037) 12.482 16.824 ( 2.153 -0.713 5.393) 5.850 16.946 ( 0.462 -0.464 0.731) 0.981 17.064 ( -3.515 -0.151 2.174) 4.136 17.093 ( -0.568 -4.808 1.576) 5.092 17.259 ( 1.269 -1.536 1.210) 2.331 17.278 ( 4.950 -2.186 -0.637) 5.449 17.440 ( -1.169 -1.302 3.757) 4.144 17.615 ( -1.516 -6.016 -3.237) 6.997 17.911 ( 0.607 4.963 0.774) 5.060 18.021 ( -2.666 4.247 -5.049) 7.116 18.151 ( -0.425 -2.226 -0.067) 2.267 18.186 ( -1.455 -0.757 -2.182) 2.729 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 10.773 -0.924 2.329) 11.061 2.470 ( 3.707 -1.155 2.777) 4.773 2.571 ( -3.630 -1.211 0.976) 3.949 2.628 ( -4.437 -3.226 -2.181) 5.903 2.775 ( 2.232 2.134 1.406) 3.393 2.786 ( -1.063 1.705 -2.309) 3.061 2.875 ( -3.840 1.008 -3.773) 5.477 2.944 ( -7.767 -1.308 -4.717) 9.181 4.043 ( 5.661 3.836 3.694) 7.773 4.076 ( 1.364 3.408 1.408) 3.932 4.242 ( 0.170 0.981 2.266) 2.475 4.253 ( 0.305 1.229 2.192) 2.532 4.619 ( 8.198 2.411 -2.777) 8.985 4.710 ( 6.797 0.186 -5.027) 8.456 4.826 ( -13.066 7.168 -11.112) 18.590 4.989 ( -18.567 -0.195 -15.665) 24.293 5.563 ( 5.373 15.444 5.663) 17.305 5.663 ( -5.780 11.379 0.038) 12.763 5.836 ( -0.302 15.002 -7.249) 16.664 5.869 ( -5.097 12.036 -8.465) 15.572 6.488 ( 6.328 -10.875 1.038) 12.625 6.607 ( 6.388 5.522 1.601) 8.594 6.671 ( -8.891 -17.985 -3.365) 20.343 6.813 ( -11.093 -3.716 -4.876) 12.675 7.223 ( 10.378 -8.108 7.417) 15.114 7.344 ( -0.845 -7.952 1.722) 8.180 7.443 ( 0.604 -18.337 2.873) 18.571 7.470 ( -2.245 -14.684 1.890) 14.974 9.061 ( 2.720 18.617 2.379) 18.965 9.075 ( 1.320 19.006 1.656) 19.124 9.936 ( 3.423 -9.537 4.330) 11.019 9.966 ( 0.410 -9.636 2.890) 10.068 11.348 ( 2.905 22.542 1.425) 22.774 11.417 ( -4.075 21.747 -1.881) 22.205 12.646 ( 0.458 -16.616 -0.220) 16.624 12.679 ( -2.878 -16.430 -2.030) 16.803 13.386 ( 4.957 8.498 1.750) 9.992 13.490 ( -5.632 9.844 -3.522) 11.876 13.859 ( 4.241 -4.046 -1.851) 6.146 13.955 ( -5.780 -2.722 -6.735) 9.283 15.005 ( 3.860 -1.577 3.245) 5.284 15.053 ( -0.966 -1.453 1.440) 2.262 15.234 ( 1.797 -4.565 0.534) 4.935 15.266 ( -1.218 -3.792 -0.401) 4.003 15.845 ( 1.732 13.230 2.149) 13.514 15.868 ( -0.561 12.558 0.867) 12.600 16.668 ( 6.222 -10.004 4.236) 12.520 16.730 ( 0.524 -13.975 1.988) 14.125 16.854 ( 2.318 0.897 5.214) 5.776 16.915 ( -3.073 3.473 3.269) 5.674 17.015 ( 0.019 -0.012 0.427) 0.428 17.060 ( -3.034 -0.794 -0.098) 3.137 17.314 ( 4.253 -1.818 3.652) 5.893 17.385 ( -1.360 -1.290 4.786) 5.141 17.435 ( 5.939 -4.467 -2.948) 7.995 17.554 ( -4.894 -5.674 -3.279) 8.179 17.930 ( 1.455 4.807 -0.449) 5.043 17.969 ( -2.527 4.621 -2.520) 5.839 18.148 ( 0.219 -1.873 -0.528) 1.958 18.161 ( -1.076 -1.346 -1.230) 2.117 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 0.000 11.808 5.417) 12.991 2.565 ( 0.000 -3.476 1.054) 3.633 2.812 ( 0.000 8.712 6.841) 11.077 2.967 ( 0.000 -7.452 3.588) 8.270 3.034 ( 0.000 11.466 13.219) 17.499 3.186 ( 0.000 -1.811 4.757) 5.090 3.259 ( 0.000 11.573 1.007) 11.616 3.393 ( 0.000 -5.558 1.228) 5.692 3.416 ( 0.000 -3.362 -1.200) 3.569 3.491 ( 0.000 -8.430 -4.767) 9.684 3.816 ( 0.000 6.205 -7.294) 9.576 4.005 ( 0.000 -12.232 -10.695) 16.248 5.073 ( 0.000 6.397 23.741) 24.587 5.191 ( 0.000 -5.980 24.760) 25.472 5.698 ( 0.000 21.458 5.327) 22.110 5.861 ( 0.000 14.436 -3.353) 14.820 5.981 ( 0.000 7.092 8.334) 10.943 5.987 ( 0.000 -0.795 8.529) 8.566 6.191 ( 0.000 3.333 -22.770) 23.013 6.312 ( 0.000 -8.484 -15.803) 17.936 6.342 ( 0.000 -3.249 -8.069) 8.699 6.378 ( 0.000 10.870 0.112) 10.870 6.539 ( 0.000 -22.746 3.411) 23.000 6.695 ( 0.000 -16.965 -1.544) 17.035 6.929 ( 0.000 -1.538 -7.797) 7.947 6.996 ( 0.000 -5.577 -10.454) 11.849 7.489 ( 0.000 -0.758 -6.381) 6.426 7.521 ( 0.000 -4.045 -7.763) 8.754 8.962 ( 0.000 6.666 1.942) 6.943 8.967 ( 0.000 7.046 1.760) 7.263 9.511 ( 0.000 1.583 5.224) 5.458 9.587 ( 0.000 -5.513 1.138) 5.629 11.619 ( 0.000 16.041 3.161) 16.349 11.761 ( 0.000 3.289 -3.977) 5.161 12.633 ( 0.000 -1.353 2.687) 3.008 12.757 ( 0.000 -12.237 -3.628) 12.764 13.462 ( 0.000 5.004 14.838) 15.660 13.555 ( 0.000 -4.477 13.694) 14.407 14.280 ( 0.000 4.376 -19.108) 19.603 14.326 ( 0.000 -0.310 -17.897) 17.900 14.589 ( 0.000 5.094 5.835) 7.746 14.673 ( 0.000 -3.613 2.777) 4.557 15.248 ( 0.000 0.862 -3.820) 3.916 15.254 ( 0.000 0.256 -5.909) 5.915 15.873 ( 0.000 9.738 2.263) 9.998 15.912 ( 0.000 8.901 -0.165) 8.903 16.088 ( 0.000 -12.273 3.248) 12.695 16.127 ( 0.000 -12.801 1.229) 12.860 16.578 ( 0.000 0.737 -2.775) 2.871 16.582 ( 0.000 0.587 -3.088) 3.144 17.196 ( 0.000 -0.829 5.341) 5.405 17.204 ( 0.000 -2.001 7.301) 7.570 17.286 ( 0.000 1.990 1.206) 2.327 17.346 ( 0.000 -4.064 0.470) 4.091 17.429 ( 0.000 0.551 -0.204) 0.587 17.460 ( 0.000 -2.016 -1.803) 2.705 17.994 ( 0.000 5.613 1.014) 5.704 18.087 ( 0.000 -3.592 0.429) 3.617 18.172 ( 0.000 2.254 -8.027) 8.337 18.213 ( 0.000 -1.619 -5.959) 6.175 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 1.326 10.324 4.899) 11.504 2.549 ( -3.742 -1.377 5.753) 6.999 2.660 ( -9.905 6.456 5.960) 13.240 2.751 ( -12.081 -2.183 7.189) 14.227 3.048 ( -4.452 4.706 6.370) 9.085 3.127 ( -3.480 -2.584 2.520) 5.013 3.310 ( -2.051 2.433 -3.055) 4.412 3.335 ( -6.097 0.566 -4.561) 7.635 3.513 ( 9.811 0.045 2.831) 10.211 3.598 ( 11.096 -7.034 -0.591) 13.151 3.876 ( 5.280 5.110 -6.777) 9.995 4.041 ( 3.121 -10.891 -9.964) 15.088 5.037 ( -4.348 2.880 23.294) 23.870 5.077 ( -10.231 -1.198 22.746) 24.970 5.659 ( -2.745 25.725 6.035) 26.566 5.900 ( 2.675 19.167 -5.604) 20.148 5.967 ( 2.597 -3.363 6.189) 7.507 6.046 ( -3.147 0.889 -11.847) 12.290 6.092 ( -11.139 0.318 -19.316) 22.300 6.195 ( -1.569 -3.566 -0.455) 3.923 6.381 ( 4.397 -1.457 -0.341) 4.645 6.392 ( -3.267 5.442 -2.829) 6.949 6.554 ( 0.142 -17.604 0.466) 17.611 6.682 ( -0.386 -19.077 -0.924) 19.104 6.926 ( 0.299 -1.232 -5.311) 5.460 7.004 ( -0.257 -7.263 -6.989) 10.083 7.452 ( -3.527 -0.707 -6.488) 7.418 7.484 ( -3.249 -4.009 -7.781) 9.336 9.004 ( 4.583 8.181 2.376) 9.673 9.026 ( 5.508 6.614 1.128) 8.681 9.548 ( 3.536 0.706 5.203) 6.331 9.622 ( 3.276 -5.956 1.288) 6.919 11.638 ( 1.866 16.863 3.090) 17.245 11.784 ( 2.189 4.144 -4.248) 6.325 12.585 ( -4.670 -2.594 2.782) 6.023 12.708 ( -4.916 -12.755 -3.416) 14.089 13.441 ( -1.694 6.022 13.222) 14.627 13.552 ( -0.045 -5.379 12.366) 13.485 14.169 ( -9.076 5.867 -17.523) 20.588 14.249 ( -6.034 -2.417 -16.558) 17.788 14.700 ( 8.830 4.629 5.357) 11.318 14.776 ( 8.106 -3.057 3.095) 9.200 15.222 ( -2.105 0.422 -3.754) 4.325 15.230 ( -1.962 -0.394 -5.637) 5.982 15.910 ( 3.285 10.836 2.422) 11.579 15.941 ( 2.985 9.849 0.482) 10.303 16.136 ( 4.202 -12.249 3.184) 13.335 16.165 ( 3.865 -12.875 1.551) 13.532 16.632 ( 5.559 1.418 -2.108) 6.112 16.649 ( 6.776 -0.226 -2.988) 7.409 17.151 ( -4.325 -0.479 5.603) 7.094 17.174 ( -3.291 -2.519 4.498) 6.116 17.266 ( -1.373 0.973 1.876) 2.520 17.303 ( -3.192 -3.036 0.582) 4.443 17.444 ( 1.236 1.865 0.293) 2.256 17.494 ( 2.095 -3.413 -1.493) 4.274 17.997 ( 0.311 5.525 1.064) 5.635 18.090 ( 0.257 -3.729 0.527) 3.775 18.164 ( -0.858 2.497 -7.506) 7.957 18.208 ( -0.583 -1.726 -5.688) 5.972 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -7.543 7.121 12.391) 16.159 2.451 ( -3.006 0.802 7.956) 8.542 2.577 ( -2.734 0.449 1.415) 3.111 2.609 ( -0.246 -1.480 -1.785) 2.332 2.949 ( -5.594 4.027 6.670) 9.592 3.014 ( -7.303 -2.992 1.785) 8.092 3.186 ( -8.117 1.527 -5.354) 9.843 3.219 ( -7.218 -1.835 -6.424) 9.835 3.725 ( 11.726 4.211 2.140) 12.642 3.829 ( 11.890 -5.880 0.065) 13.265 3.986 ( 5.593 3.856 -5.936) 9.021 4.106 ( 3.339 -7.782 -7.698) 11.444 4.860 ( -11.027 2.804 17.079) 20.522 4.898 ( -9.364 -1.285 17.829) 20.179 5.605 ( -7.346 21.776 -4.850) 23.488 5.752 ( -17.180 3.964 -21.676) 27.941 5.846 ( -5.829 13.706 -8.245) 17.024 5.994 ( 1.596 9.735 -7.016) 12.106 6.159 ( 9.116 -4.088 6.276) 11.798 6.179 ( -1.782 -10.941 3.241) 11.550 6.273 ( -6.819 13.919 -0.773) 15.519 6.473 ( -1.519 -2.206 -6.238) 6.789 6.520 ( 1.970 -10.041 4.401) 11.139 6.690 ( 0.314 -23.048 0.485) 23.055 6.956 ( 2.181 -5.885 -0.216) 6.279 6.973 ( -1.385 -6.464 0.096) 6.611 7.370 ( -4.626 0.325 -5.282) 7.029 7.422 ( -2.912 -4.703 -6.820) 8.781 9.127 ( 7.689 10.125 2.673) 12.991 9.162 ( 8.147 7.795 0.750) 11.300 9.627 ( 4.043 -1.845 5.083) 6.752 9.694 ( 3.630 -7.357 1.584) 8.355 11.684 ( 2.747 18.949 2.812) 19.353 11.833 ( 2.459 7.486 -4.680) 9.165 12.469 ( -6.921 -6.546 2.757) 9.918 12.584 ( -7.495 -14.336 -3.163) 16.483 13.423 ( 0.361 7.667 9.962) 12.576 13.566 ( 1.776 -6.905 9.047) 11.519 13.990 ( -8.876 8.145 -14.710) 19.014 14.124 ( -6.798 -5.535 -15.041) 17.409 14.856 ( 6.555 4.346 6.053) 9.925 14.929 ( 7.298 -2.400 4.297) 8.802 15.175 ( -2.351 0.245 -4.075) 4.711 15.209 ( -0.360 -2.383 -4.186) 4.830 15.980 ( 3.787 12.275 2.986) 13.188 16.017 ( 4.269 11.597 1.048) 12.402 16.227 ( 5.341 -11.888 3.392) 13.466 16.271 ( 6.606 -13.445 1.567) 15.062 16.771 ( 7.667 3.130 0.913) 8.332 16.819 ( 9.959 -1.291 -1.539) 10.160 17.055 ( -4.767 -0.817 3.391) 5.907 17.090 ( -4.518 -3.613 1.750) 6.044 17.238 ( -1.342 0.381 2.042) 2.473 17.255 ( -1.711 -1.333 1.866) 2.861 17.459 ( 0.177 2.145 0.707) 2.266 17.521 ( 0.562 -4.264 -1.531) 4.565 18.003 ( 0.209 5.270 0.992) 5.367 18.093 ( -0.017 -3.841 0.516) 3.875 18.139 ( -1.750 2.990 -6.080) 6.998 18.189 ( -1.376 -2.005 -4.777) 5.360 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 2.126 4.201 8.617) 9.819 2.394 ( -0.540 -3.518 5.935) 6.921 2.595 ( 1.812 0.650 -1.685) 2.558 2.606 ( -0.657 -0.528 -3.092) 3.205 2.844 ( -4.856 2.247 5.658) 7.787 2.876 ( -6.209 -1.186 1.131) 6.422 3.025 ( -8.346 1.386 -5.589) 10.140 3.062 ( -8.571 -2.472 -5.472) 10.465 3.953 ( 11.379 4.779 1.575) 12.442 4.053 ( 11.241 -5.296 0.446) 12.434 4.082 ( 4.410 3.730 -3.426) 6.715 4.167 ( 3.085 -4.521 -3.442) 6.465 4.687 ( -6.042 3.253 8.326) 10.790 4.727 ( -6.866 -1.087 8.643) 11.092 5.313 ( -19.285 7.590 -18.435) 27.738 5.380 ( -20.632 -0.064 -21.357) 29.695 5.840 ( 0.439 18.376 4.603) 18.949 5.996 ( -1.254 13.077 -2.839) 13.440 6.119 ( -3.221 -4.284 0.388) 5.374 6.203 ( -2.424 18.066 -1.852) 18.322 6.278 ( 2.522 6.245 -0.965) 6.804 6.388 ( -1.460 -7.924 -6.406) 10.294 6.603 ( 2.593 -19.681 4.486) 20.351 6.686 ( 0.351 -16.191 2.144) 16.336 6.974 ( 3.706 -2.767 3.860) 6.024 7.032 ( 4.024 -9.002 2.952) 10.293 7.282 ( -4.380 0.069 -1.049) 4.505 7.360 ( -4.034 -6.647 -3.401) 8.486 9.280 ( 7.690 12.849 2.937) 15.260 9.318 ( 7.448 11.206 0.936) 13.488 9.688 ( 2.221 -6.531 4.689) 8.341 9.744 ( 1.330 -9.930 1.868) 10.191 11.741 ( 3.179 21.652 2.081) 21.982 11.867 ( 0.880 14.908 -4.327) 15.548 12.342 ( -5.588 -13.863 2.088) 15.092 12.438 ( -7.259 -17.295 -2.973) 18.991 13.464 ( 3.845 8.882 6.291) 11.544 13.623 ( 4.075 -6.884 4.546) 9.201 13.835 ( -7.243 8.403 -9.435) 14.563 13.990 ( -7.023 -6.918 -10.961) 14.742 14.957 ( 4.364 4.523 4.471) 7.713 15.042 ( 4.238 -2.154 3.326) 5.802 15.139 ( -1.430 0.071 -2.821) 3.163 15.202 ( -0.728 -4.474 -2.811) 5.334 16.052 ( 3.642 13.385 3.256) 14.249 16.090 ( 3.122 12.714 1.320) 13.158 16.337 ( 5.399 -12.085 3.823) 13.777 16.391 ( 4.941 -14.631 1.619) 15.527 16.868 ( 2.120 4.743 5.206) 7.354 16.978 ( 1.066 -6.387 4.133) 7.682 16.990 ( 2.151 3.602 -0.806) 4.272 17.049 ( -0.050 -2.091 0.323) 2.116 17.239 ( 0.748 -0.592 1.622) 1.882 17.243 ( 2.995 -1.133 0.266) 3.213 17.447 ( -1.556 2.077 1.001) 2.781 17.512 ( -1.576 -4.623 -1.538) 5.120 18.007 ( 0.314 4.926 0.484) 4.960 18.091 ( -0.191 -2.961 -0.217) 2.975 18.098 ( -2.220 2.739 -3.849) 5.219 18.156 ( -1.948 -2.404 -3.347) 4.558 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 7.988 0.433 2.878) 8.502 2.444 ( 5.053 -1.406 2.553) 5.833 2.554 ( -4.791 -0.095 -0.052) 4.793 2.574 ( -5.432 -2.171 -1.118) 5.955 2.804 ( 1.805 1.224 0.004) 2.181 2.814 ( 0.211 0.507 -0.866) 1.026 2.884 ( -5.556 0.460 -3.697) 6.689 2.908 ( -6.908 -1.995 -3.534) 8.012 4.125 ( 5.385 4.619 2.378) 7.482 4.148 ( 2.124 3.699 0.891) 4.358 4.217 ( 3.621 -3.688 2.152) 5.598 4.219 ( 1.949 -2.714 1.907) 3.848 4.681 ( 7.249 2.803 -3.705) 8.610 4.711 ( 7.039 -0.433 -4.338) 8.280 4.942 ( -17.878 4.212 -13.705) 22.917 4.986 ( -19.194 -0.741 -14.753) 24.220 5.849 ( 1.952 14.358 -0.683) 14.506 5.928 ( -5.394 15.303 -3.686) 16.640 6.089 ( 0.646 -3.201 -3.480) 4.772 6.136 ( -3.488 7.097 -4.462) 9.080 6.337 ( 3.437 9.352 0.643) 9.984 6.383 ( -0.830 -1.212 -1.553) 2.138 6.636 ( 2.412 -8.460 1.944) 9.009 6.687 ( -1.662 -15.032 -0.524) 15.132 7.091 ( 6.913 -2.938 4.979) 9.012 7.116 ( 4.824 -9.941 3.965) 11.740 7.202 ( -3.801 -4.382 3.203) 6.626 7.257 ( -6.560 -7.815 0.919) 10.245 9.401 ( 4.287 16.496 2.817) 17.275 9.421 ( 2.496 16.573 1.810) 16.857 9.718 ( 1.254 -12.890 3.660) 13.458 9.744 ( -1.109 -13.382 2.398) 13.641 11.805 ( 3.362 24.328 0.486) 24.564 11.859 ( -1.821 23.316 -2.200) 23.490 12.278 ( -0.600 -21.313 0.114) 21.322 12.320 ( -4.572 -21.032 -2.060) 21.622 13.562 ( 6.035 9.639 1.668) 11.494 13.675 ( -3.710 7.997 -3.490) 9.481 13.747 ( 2.841 -6.130 -0.180) 6.758 13.857 ( -6.676 -7.470 -5.259) 11.315 15.032 ( 3.317 3.920 1.719) 5.415 15.078 ( -1.020 3.357 0.064) 3.509 15.135 ( 1.698 -5.316 0.199) 5.584 15.176 ( -1.975 -5.298 -1.094) 5.759 16.113 ( 2.389 14.878 2.851) 15.336 16.130 ( 0.796 14.793 1.978) 14.946 16.413 ( 2.412 -15.061 3.342) 15.614 16.437 ( 0.043 -16.048 2.318) 16.215 16.914 ( 3.472 4.123 4.779) 7.203 16.976 ( 0.220 0.671 2.163) 2.275 16.997 ( -1.510 -0.324 3.687) 3.997 17.035 ( -2.102 -1.761 1.713) 3.234 17.304 ( 5.136 0.967 1.163) 5.354 17.348 ( 6.350 -3.321 -0.984) 7.233 17.396 ( -3.698 1.575 1.058) 4.156 17.456 ( -4.297 -4.419 -1.392) 6.319 18.020 ( 1.155 4.533 -0.618) 4.718 18.052 ( -2.160 4.089 -2.273) 5.153 18.097 ( 0.688 -3.469 -0.655) 3.597 18.120 ( -1.660 -2.925 -1.857) 3.842 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.000 0.000 -18.276) 18.276 1.785 ( 0.000 0.000 18.276) 18.276 2.906 ( 0.000 0.000 -18.745) 18.745 2.906 ( 0.000 0.000 18.745) 18.745 2.982 ( 0.000 0.000 -11.332) 11.332 2.982 ( 0.000 0.000 11.332) 11.332 3.003 ( 0.000 0.000 -13.598) 13.598 3.003 ( 0.000 0.000 13.598) 13.598 3.737 ( 0.000 0.000 -2.261) 2.261 3.737 ( 0.000 0.000 2.261) 2.261 4.424 ( 0.000 0.000 -12.464) 12.464 4.424 ( 0.000 0.000 12.464) 12.464 4.567 ( 0.000 0.000 -8.876) 8.876 4.567 ( 0.000 0.000 8.876) 8.876 5.592 ( 0.000 0.000 -25.509) 25.509 5.592 ( 0.000 0.000 25.509) 25.509 5.880 ( 0.000 0.000 -19.722) 19.722 5.880 ( 0.000 0.000 19.722) 19.722 6.165 ( 0.000 0.000 -0.113) 0.113 6.165 ( 0.000 0.000 0.113) 0.113 6.487 ( 0.000 0.000 -17.526) 17.526 6.487 ( 0.000 0.000 17.526) 17.526 6.905 ( 0.000 0.000 -12.971) 12.971 6.905 ( 0.000 0.000 12.971) 12.971 7.509 ( 0.000 0.000 -3.472) 3.472 7.509 ( 0.000 0.000 3.472) 3.472 7.995 ( 0.000 0.000 -5.018) 5.018 7.995 ( 0.000 0.000 5.018) 5.018 8.138 ( 0.000 0.000 -3.520) 3.520 8.138 ( 0.000 0.000 3.520) 3.520 9.585 ( 0.000 0.000 -5.162) 5.162 9.585 ( 0.000 0.000 5.162) 5.162 11.044 ( 0.000 0.000 -9.745) 9.745 11.044 ( 0.000 0.000 9.745) 9.745 13.126 ( 0.000 0.000 -7.289) 7.289 13.126 ( 0.000 0.000 7.289) 7.289 13.652 ( 0.000 0.000 -20.848) 20.848 13.652 ( 0.000 0.000 20.848) 20.848 13.938 ( 0.000 0.000 -15.346) 15.346 13.938 ( 0.000 0.000 15.346) 15.346 14.527 ( 0.000 0.000 -9.553) 9.553 14.527 ( 0.000 0.000 9.553) 9.553 15.300 ( 0.000 0.000 -1.830) 1.830 15.300 ( 0.000 0.000 1.830) 1.830 15.635 ( 0.000 0.000 -3.657) 3.657 15.635 ( 0.000 0.000 3.657) 3.657 16.423 ( 0.000 0.000 -2.065) 2.065 16.423 ( 0.000 0.000 2.065) 2.065 16.676 ( 0.000 0.000 -4.727) 4.727 16.676 ( 0.000 0.000 4.727) 4.727 17.276 ( 0.000 0.000 -0.597) 0.597 17.276 ( 0.000 0.000 0.597) 0.597 17.398 ( 0.000 0.000 -5.774) 5.774 17.398 ( 0.000 0.000 5.774) 5.774 17.693 ( 0.000 0.000 -13.759) 13.759 17.693 ( 0.000 0.000 13.759) 13.759 17.758 ( 0.000 0.000 -0.120) 0.120 17.758 ( 0.000 0.000 0.120) 0.120 18.217 ( 0.000 0.000 -0.085) 0.085 18.217 ( 0.000 0.000 0.085) 0.085 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 9.607 0.000 -16.794) 19.348 1.883 ( 9.607 0.000 16.794) 19.348 2.702 ( -12.268 0.000 -12.931) 17.825 2.702 ( -12.268 0.000 12.931) 17.825 2.989 ( -1.466 0.000 -13.313) 13.394 2.989 ( -1.466 0.000 13.313) 13.394 3.094 ( 3.247 0.000 -2.703) 4.225 3.094 ( 3.247 0.000 2.703) 4.225 3.768 ( 3.292 0.000 -4.223) 5.354 3.768 ( 3.292 0.000 4.223) 5.354 4.483 ( 5.541 0.000 -9.690) 11.163 4.483 ( 5.541 0.000 9.690) 11.163 4.503 ( -6.267 0.000 -8.559) 10.608 4.503 ( -6.267 0.000 8.559) 10.608 5.530 ( -5.855 0.000 -27.136) 27.760 5.530 ( -5.855 0.000 27.136) 27.760 5.589 ( -20.464 0.000 -25.377) 32.600 5.589 ( -20.464 0.000 25.377) 32.600 6.284 ( 0.853 0.000 -2.524) 2.664 6.284 ( 0.853 0.000 2.524) 2.664 6.486 ( -0.200 0.000 -15.293) 15.294 6.486 ( -0.200 0.000 15.293) 15.294 6.932 ( 5.410 0.000 -15.855) 16.753 6.932 ( 5.410 0.000 15.855) 16.753 7.533 ( 2.065 0.000 -2.738) 3.430 7.533 ( 2.065 0.000 2.738) 3.430 7.912 ( -7.784 0.000 -4.010) 8.756 7.912 ( -7.784 0.000 4.010) 8.756 8.211 ( 6.878 0.000 -2.441) 7.299 8.211 ( 6.878 0.000 2.441) 7.299 9.661 ( 7.394 0.000 -4.420) 8.614 9.661 ( 7.394 0.000 4.420) 8.614 11.040 ( -0.528 0.000 -9.589) 9.604 11.040 ( -0.528 0.000 9.589) 9.604 13.132 ( 0.649 0.000 -6.849) 6.880 13.132 ( 0.649 0.000 6.849) 6.880 13.505 ( -12.243 0.000 -18.715) 22.363 13.505 ( -12.243 0.000 18.715) 22.363 13.934 ( -0.273 0.000 -14.597) 14.600 13.934 ( -0.273 0.000 14.597) 14.600 14.699 ( 14.618 0.000 -9.891) 17.650 14.699 ( 14.618 0.000 9.891) 17.650 15.258 ( -3.570 0.000 -6.409) 7.336 15.258 ( -3.570 0.000 6.409) 7.336 15.639 ( 0.076 0.000 -3.952) 3.952 15.639 ( 0.076 0.000 3.952) 3.952 16.444 ( 2.317 0.000 -2.584) 3.471 16.444 ( 2.317 0.000 2.584) 3.471 16.753 ( 7.436 0.000 -5.482) 9.239 16.753 ( 7.436 0.000 5.482) 9.239 17.253 ( -2.237 0.000 -1.266) 2.570 17.253 ( -2.237 0.000 1.266) 2.570 17.369 ( -2.677 0.000 -5.722) 6.317 17.369 ( -2.677 0.000 5.722) 6.317 17.704 ( 0.765 0.000 -13.217) 13.240 17.704 ( 0.765 0.000 13.217) 13.240 17.768 ( 0.940 0.000 -0.418) 1.029 17.768 ( 0.940 0.000 0.418) 1.029 18.212 ( -0.539 0.000 -0.120) 0.552 18.212 ( -0.539 0.000 0.120) 0.552 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 14.047 0.000 -12.981) 19.126 2.120 ( 14.047 0.000 12.981) 19.126 2.508 ( -6.981 0.000 -14.470) 16.066 2.508 ( -6.981 0.000 14.470) 16.066 2.947 ( -2.936 0.000 -12.402) 12.744 2.947 ( -2.936 0.000 12.402) 12.744 3.077 ( -4.522 0.000 -3.190) 5.534 3.077 ( -4.522 0.000 3.190) 5.534 3.860 ( 5.846 0.000 -6.799) 8.967 3.860 ( 5.846 0.000 6.799) 8.967 4.347 ( -9.191 0.000 -6.814) 11.441 4.347 ( -9.191 0.000 6.814) 11.441 4.601 ( 5.660 0.000 -4.029) 6.948 4.601 ( 5.660 0.000 4.029) 6.948 5.211 ( -17.686 0.000 -26.108) 31.534 5.211 ( -17.686 0.000 26.108) 31.534 5.401 ( -6.504 0.000 -27.401) 28.162 5.401 ( -6.504 0.000 27.401) 28.162 6.119 ( -15.233 0.000 -4.378) 15.849 6.119 ( -15.233 0.000 4.378) 15.849 6.479 ( -0.357 0.000 -10.845) 10.850 6.479 ( -0.357 0.000 10.845) 10.850 7.125 ( 12.330 0.000 -14.310) 18.889 7.125 ( 12.330 0.000 14.310) 18.889 7.527 ( -5.817 0.000 -2.921) 6.509 7.527 ( -5.817 0.000 2.921) 6.509 7.772 ( -3.117 0.000 -1.586) 3.497 7.772 ( -3.117 0.000 1.586) 3.497 8.366 ( 8.384 0.000 -0.868) 8.429 8.366 ( 8.384 0.000 0.868) 8.429 9.842 ( 10.587 0.000 -3.080) 11.026 9.842 ( 10.587 0.000 3.080) 11.026 11.018 ( -1.891 0.000 -8.725) 8.928 11.018 ( -1.891 0.000 8.725) 8.928 13.149 ( 1.064 0.000 -5.044) 5.155 13.149 ( 1.064 0.000 5.044) 5.155 13.270 ( -11.066 0.000 -14.780) 18.464 13.270 ( -11.066 0.000 14.780) 18.464 13.927 ( -0.693 0.000 -11.451) 11.472 13.927 ( -0.693 0.000 11.451) 11.472 14.986 ( 13.605 0.000 -7.847) 15.705 14.986 ( 13.605 0.000 7.847) 15.705 15.201 ( -1.500 0.000 -7.731) 7.875 15.201 ( -1.500 0.000 7.731) 7.875 15.627 ( -1.506 0.000 -3.780) 4.069 15.627 ( -1.506 0.000 3.780) 4.069 16.518 ( 5.481 0.000 -3.744) 6.638 16.518 ( 5.481 0.000 3.744) 6.638 16.926 ( 9.327 0.000 -6.776) 11.528 16.926 ( 9.327 0.000 6.776) 11.528 17.195 ( -3.668 0.000 -2.025) 4.190 17.195 ( -3.668 0.000 2.025) 4.190 17.317 ( -1.957 0.000 -4.634) 5.030 17.317 ( -1.957 0.000 4.634) 5.030 17.707 ( -0.664 0.000 -11.990) 12.008 17.707 ( -0.664 0.000 11.990) 12.008 17.788 ( 0.981 0.000 -0.849) 1.297 17.788 ( 0.981 0.000 0.849) 1.297 18.198 ( -0.842 0.000 -0.201) 0.865 18.198 ( -0.842 0.000 0.201) 0.865 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 12.779 0.000 -8.319) 15.248 2.386 ( 12.779 0.000 8.319) 15.248 2.451 ( 0.975 0.000 -11.233) 11.276 2.451 ( 0.975 0.000 11.233) 11.276 2.874 ( -4.654 0.000 -10.596) 11.573 2.874 ( -4.654 0.000 10.596) 11.573 2.947 ( -8.251 0.000 -3.929) 9.139 2.947 ( -8.251 0.000 3.929) 9.139 3.969 ( 4.945 0.000 -6.460) 8.135 3.969 ( 4.945 0.000 6.460) 8.135 4.183 ( -7.080 0.000 -4.795) 8.551 4.183 ( -7.080 0.000 4.795) 8.551 4.672 ( 1.520 0.000 -3.210) 3.551 4.672 ( 1.520 0.000 3.210) 3.551 4.941 ( -9.727 0.000 -21.713) 23.792 4.941 ( -9.727 0.000 21.713) 23.792 5.313 ( -2.342 0.000 -20.206) 20.341 5.313 ( -2.342 0.000 20.206) 20.341 5.788 ( -17.403 0.000 -6.177) 18.467 5.788 ( -17.403 0.000 6.177) 18.467 6.479 ( 0.433 0.000 -6.498) 6.512 6.479 ( 0.433 0.000 6.498) 6.512 7.321 ( -12.350 0.000 -3.253) 12.771 7.321 ( -12.350 0.000 3.253) 12.771 7.340 ( 9.092 0.000 -8.742) 12.613 7.340 ( 9.092 0.000 8.742) 12.613 7.800 ( 3.354 0.000 -1.649) 3.738 7.800 ( 3.354 0.000 1.649) 3.738 8.511 ( 6.241 0.000 -0.385) 6.253 8.511 ( 6.241 0.000 0.385) 6.253 10.041 ( 9.428 0.000 -2.074) 9.654 10.041 ( 9.428 0.000 2.074) 9.654 10.967 ( -3.192 0.000 -6.529) 7.268 10.967 ( -3.192 0.000 6.529) 7.268 13.099 ( -6.583 0.000 -9.589) 11.631 13.099 ( -6.583 0.000 9.589) 11.631 13.174 ( 1.547 0.000 -2.441) 2.890 13.174 ( 1.547 0.000 2.441) 2.890 13.902 ( -1.836 0.000 -6.298) 6.560 13.902 ( -1.836 0.000 6.298) 6.560 15.192 ( 7.586 0.000 -4.410) 8.774 15.192 ( 7.586 0.000 4.410) 8.774 15.219 ( 3.375 0.000 -6.633) 7.442 15.219 ( 3.375 0.000 6.633) 7.442 15.578 ( -3.656 0.000 -4.217) 5.582 15.578 ( -3.656 0.000 4.217) 5.582 16.653 ( 8.202 0.000 -4.618) 9.412 16.653 ( 8.202 0.000 4.618) 9.412 17.055 ( 2.940 0.000 -6.162) 6.827 17.055 ( 2.940 0.000 6.162) 6.827 17.113 ( -4.972 0.000 -2.746) 5.680 17.113 ( -4.972 0.000 2.746) 5.680 17.335 ( 4.682 0.000 -0.873) 4.763 17.335 ( 4.682 0.000 0.873) 4.763 17.672 ( -3.071 0.000 -10.118) 10.573 17.672 ( -3.071 0.000 10.118) 10.573 17.803 ( 0.588 0.000 -0.942) 1.111 17.803 ( 0.588 0.000 0.942) 1.111 18.182 ( -0.769 0.000 -0.234) 0.804 18.182 ( -0.769 0.000 0.234) 0.804 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 4.470 0.000 -4.762) 6.531 2.518 ( 4.470 0.000 4.762) 6.531 2.590 ( 7.729 0.000 -5.855) 9.696 2.590 ( 7.729 0.000 5.855) 9.696 2.775 ( -5.093 0.000 -7.517) 9.080 2.775 ( -5.093 0.000 7.517) 9.080 2.790 ( -6.634 0.000 -2.678) 7.154 2.790 ( -6.634 0.000 2.678) 7.154 4.036 ( 1.784 0.000 -2.587) 3.143 4.036 ( 1.784 0.000 2.587) 3.143 4.089 ( -2.541 0.000 -2.242) 3.388 4.089 ( -2.541 0.000 2.242) 3.388 4.678 ( -0.248 0.000 -1.842) 1.859 4.678 ( -0.248 0.000 1.842) 1.859 4.840 ( -1.510 0.000 -9.669) 9.786 4.840 ( -1.510 0.000 9.669) 9.786 5.297 ( -0.015 0.000 -7.008) 7.008 5.297 ( -0.015 0.000 7.008) 7.008 5.517 ( -8.718 0.000 -3.789) 9.506 5.517 ( -8.718 0.000 3.789) 9.506 6.495 ( 0.848 0.000 -2.248) 2.403 6.495 ( 0.848 0.000 2.248) 2.403 7.132 ( -5.902 0.000 -1.323) 6.048 7.132 ( -5.902 0.000 1.323) 6.048 7.459 ( 3.185 0.000 -2.903) 4.309 7.459 ( 3.185 0.000 2.903) 4.309 7.852 ( 1.570 0.000 -0.517) 1.653 7.852 ( 1.570 0.000 0.517) 1.653 8.595 ( 2.280 0.000 -0.201) 2.289 8.595 ( 2.280 0.000 0.201) 2.289 10.178 ( 4.066 0.000 -0.913) 4.168 10.178 ( 4.066 0.000 0.913) 4.168 10.912 ( -1.913 0.000 -2.580) 3.212 10.912 ( -1.913 0.000 2.580) 3.212 13.016 ( -2.099 0.000 -3.333) 3.939 13.016 ( -2.099 0.000 3.333) 3.939 13.201 ( 0.910 0.000 -0.581) 1.080 13.201 ( 0.910 0.000 0.581) 1.080 13.868 ( -1.225 0.000 -1.773) 2.155 13.868 ( -1.225 0.000 1.773) 2.155 15.283 ( 2.196 0.000 -1.339) 2.572 15.283 ( 2.196 0.000 1.339) 2.572 15.310 ( 4.898 0.000 -4.393) 6.579 15.310 ( 4.898 0.000 4.393) 6.579 15.493 ( -4.424 0.000 -3.761) 5.806 15.493 ( -4.424 0.000 3.761) 5.806 16.811 ( 7.219 0.000 -3.827) 8.171 16.811 ( 7.219 0.000 3.827) 8.171 17.006 ( -5.572 0.000 -2.993) 6.325 17.006 ( -5.572 0.000 2.993) 6.325 17.068 ( -0.264 0.000 -2.096) 2.113 17.068 ( -0.264 0.000 2.096) 2.113 17.464 ( 7.280 0.000 -4.197) 8.403 17.464 ( 7.280 0.000 4.197) 8.403 17.589 ( -5.501 0.000 -7.526) 9.322 17.589 ( -5.501 0.000 7.526) 9.322 17.811 ( 0.199 0.000 -0.420) 0.465 17.811 ( 0.199 0.000 0.420) 0.465 18.171 ( -0.318 0.000 -0.111) 0.337 18.171 ( -0.318 0.000 0.111) 0.337 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.000 16.329 -15.423) 22.461 1.963 ( 0.000 16.329 15.423) 22.461 2.922 ( 0.000 2.318 -16.348) 16.511 2.922 ( 0.000 2.318 16.348) 16.511 2.990 ( 0.000 1.002 -10.979) 11.025 2.990 ( 0.000 1.002 10.979) 11.025 3.079 ( 0.000 6.588 -13.748) 15.245 3.079 ( 0.000 6.588 13.748) 15.245 3.674 ( 0.000 -5.909 -1.075) 6.006 3.674 ( 0.000 -5.909 1.075) 6.006 4.277 ( 0.000 -11.005 -10.811) 15.427 4.277 ( 0.000 -11.005 10.811) 15.427 4.781 ( 0.000 17.859 -10.690) 20.814 4.781 ( 0.000 17.859 10.690) 20.814 5.589 ( 0.000 0.028 -25.470) 25.470 5.589 ( 0.000 0.028 25.470) 25.470 5.861 ( 0.000 -1.915 -20.604) 20.693 5.861 ( 0.000 -1.915 20.604) 20.693 6.173 ( 0.000 0.890 -1.197) 1.492 6.173 ( 0.000 0.890 1.197) 1.492 6.456 ( 0.000 -3.316 -16.241) 16.576 6.456 ( 0.000 -3.316 16.241) 16.576 6.895 ( 0.000 -1.076 -11.940) 11.988 6.895 ( 0.000 -1.076 11.940) 11.988 7.382 ( 0.000 -12.581 -2.780) 12.885 7.382 ( 0.000 -12.581 2.780) 12.885 7.761 ( 0.000 -13.164 -3.260) 13.562 7.761 ( 0.000 -13.164 3.260) 13.562 8.424 ( 0.000 18.244 -2.924) 18.477 8.424 ( 0.000 18.244 2.924) 18.477 9.609 ( 0.000 1.792 -4.960) 5.274 9.609 ( 0.000 1.792 4.960) 5.274 11.141 ( 0.000 10.092 -9.213) 13.665 11.141 ( 0.000 10.092 9.213) 13.665 13.061 ( 0.000 -6.625 -7.062) 9.683 13.061 ( 0.000 -6.625 7.062) 9.683 13.667 ( 0.000 1.409 -19.555) 19.606 13.667 ( 0.000 1.409 19.555) 19.606 13.953 ( 0.000 1.684 -14.653) 14.749 13.953 ( 0.000 1.684 14.653) 14.749 14.558 ( 0.000 3.032 -8.825) 9.332 14.558 ( 0.000 3.032 8.825) 9.332 15.282 ( 0.000 -1.783 -1.038) 2.063 15.282 ( 0.000 -1.783 1.038) 2.063 15.659 ( 0.000 2.604 -2.915) 3.909 15.659 ( 0.000 2.604 2.915) 3.909 16.421 ( 0.000 -0.704 -1.751) 1.887 16.421 ( 0.000 -0.704 1.751) 1.887 16.623 ( 0.000 -4.929 -4.078) 6.397 16.623 ( 0.000 -4.929 4.078) 6.397 17.274 ( 0.000 -0.167 -0.082) 0.186 17.274 ( 0.000 -0.167 0.082) 0.186 17.401 ( 0.000 0.256 -4.801) 4.808 17.401 ( 0.000 0.256 4.801) 4.808 17.593 ( 0.000 -7.274 -8.164) 10.934 17.593 ( 0.000 -7.274 8.164) 10.934 17.835 ( 0.000 5.200 -4.760) 7.050 17.835 ( 0.000 5.200 4.760) 7.050 18.212 ( 0.000 -0.688 -0.404) 0.798 18.212 ( 0.000 -0.688 0.404) 0.798 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 7.660 14.481 -14.361) 21.786 2.041 ( 7.660 14.481 14.361) 21.786 2.718 ( -12.505 1.744 -11.227) 16.896 2.718 ( -12.505 1.744 11.227) 16.896 3.026 ( -1.358 3.305 -9.000) 9.683 3.026 ( -1.358 3.305 9.000) 9.683 3.126 ( 1.897 3.308 -2.347) 4.478 3.126 ( 1.897 3.308 2.347) 4.478 3.707 ( 3.650 -5.372 -3.652) 7.451 3.707 ( 3.650 -5.372 3.652) 7.451 4.298 ( 1.407 -10.942 -9.004) 14.240 4.298 ( 1.407 -10.942 9.004) 14.240 4.767 ( -1.226 18.865 -9.242) 21.043 4.767 ( -1.226 18.865 9.242) 21.043 5.519 ( -7.128 -0.621 -24.623) 25.642 5.519 ( -7.128 -0.621 24.623) 25.642 5.602 ( -18.030 0.975 -22.794) 29.079 5.602 ( -18.030 0.975 22.794) 29.079 6.270 ( 0.465 -1.204 -3.167) 3.420 6.270 ( 0.465 -1.204 3.167) 3.420 6.472 ( 1.332 -1.636 -12.716) 12.890 6.472 ( 1.332 -1.636 12.716) 12.890 6.911 ( 4.243 -2.104 -14.594) 15.344 6.911 ( 4.243 -2.104 14.594) 15.344 7.404 ( 1.555 -12.650 -2.679) 13.024 7.404 ( 1.555 -12.650 2.679) 13.024 7.724 ( -3.869 -12.460 -2.514) 13.287 7.724 ( -3.869 -12.460 2.514) 13.287 8.459 ( 3.796 18.030 -2.205) 18.557 8.459 ( 3.796 18.030 2.205) 18.557 9.678 ( 6.681 1.087 -4.367) 8.055 9.678 ( 6.681 1.087 4.367) 8.055 11.138 ( -0.369 10.276 -9.080) 13.718 11.138 ( -0.369 10.276 9.080) 13.718 13.056 ( -0.725 -7.666 -6.300) 9.949 13.056 ( -0.725 -7.666 6.300) 9.949 13.543 ( -10.270 3.570 -17.829) 20.883 13.543 ( -10.270 3.570 17.829) 20.883 13.943 ( -0.657 0.869 -14.562) 14.603 13.943 ( -0.657 0.869 14.562) 14.603 14.714 ( 13.070 1.487 -8.790) 15.820 14.714 ( 13.070 1.487 8.790) 15.820 15.246 ( -2.895 -1.228 -4.633) 5.600 15.246 ( -2.895 -1.228 4.633) 5.600 15.667 ( 0.528 3.048 -3.105) 4.383 15.667 ( 0.528 3.048 3.105) 4.383 16.442 ( 2.368 -0.599 -2.374) 3.406 16.442 ( 2.368 -0.599 2.374) 3.406 16.702 ( 7.593 -4.808 -4.848) 10.211 16.702 ( 7.593 -4.808 4.848) 10.211 17.253 ( -2.129 -0.099 -0.868) 2.302 17.253 ( -2.129 -0.099 0.868) 2.302 17.361 ( -3.494 -0.886 -5.072) 6.223 17.361 ( -3.494 -0.886 5.072) 6.223 17.612 ( 1.466 -6.362 -7.849) 10.209 17.612 ( 1.466 -6.362 7.849) 10.209 17.844 ( 0.717 5.105 -4.639) 6.935 17.844 ( 0.717 5.105 4.639) 6.935 18.207 ( -0.487 -0.631 -0.392) 0.888 18.207 ( -0.487 -0.631 0.392) 0.888 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 11.255 9.988 -11.428) 18.895 2.231 ( 11.255 9.988 11.428) 18.895 2.517 ( -7.385 1.067 -12.722) 14.749 2.517 ( -7.385 1.067 12.722) 14.749 2.976 ( -3.645 2.601 -9.191) 10.224 2.976 ( -3.645 2.601 9.191) 10.224 3.088 ( -5.359 1.005 -4.259) 6.919 3.088 ( -5.359 1.005 4.259) 6.919 3.810 ( 6.533 -3.708 -5.944) 9.579 3.810 ( 6.533 -3.708 5.944) 9.579 4.299 ( -1.616 -6.554 -6.027) 9.049 4.299 ( -1.616 -6.554 6.027) 9.049 4.735 ( -2.466 14.784 -3.618) 15.419 4.735 ( -2.466 14.784 3.618) 15.419 5.230 ( -17.190 1.725 -21.395) 27.499 5.230 ( -17.190 1.725 21.395) 27.499 5.417 ( -4.393 1.980 -25.175) 25.632 5.417 ( -4.393 1.980 25.175) 25.632 6.121 ( -13.997 0.467 -3.701) 14.485 6.121 ( -13.997 0.467 3.701) 14.485 6.482 ( 0.158 -0.313 -7.761) 7.769 6.482 ( 0.158 -0.313 7.761) 7.769 7.082 ( 11.212 -4.314 -13.295) 17.919 7.082 ( 11.212 -4.314 13.295) 17.919 7.379 ( -6.018 -13.294 -2.969) 14.892 7.379 ( -6.018 -13.294 2.969) 14.892 7.662 ( -0.325 -9.638 -2.165) 9.884 7.662 ( -0.325 -9.638 2.165) 9.884 8.563 ( 6.366 16.708 -1.050) 17.910 8.563 ( 6.366 16.708 1.050) 17.910 9.840 ( 9.457 -0.695 -3.234) 10.018 9.840 ( 9.457 -0.695 3.234) 10.018 11.121 ( -1.508 10.843 -8.256) 13.712 11.121 ( -1.508 10.843 8.256) 13.712 13.025 ( -2.666 -10.130 -3.303) 10.983 13.025 ( -2.666 -10.130 3.303) 10.983 13.361 ( -7.189 6.704 -12.095) 15.586 13.361 ( -7.189 6.704 12.095) 15.586 13.931 ( -0.818 0.213 -11.668) 11.699 13.931 ( -0.818 0.213 11.668) 11.699 14.954 ( 9.984 -2.433 -5.739) 11.770 14.954 ( 9.984 -2.433 5.739) 11.770 15.214 ( 0.630 0.532 -3.689) 3.780 15.214 ( 0.630 0.532 3.689) 3.780 15.670 ( -0.303 4.662 -2.797) 5.445 15.670 ( -0.303 4.662 2.797) 5.445 16.518 ( 5.653 -0.362 -3.617) 6.721 16.518 ( 5.653 -0.362 3.617) 6.721 16.877 ( 9.278 -4.633 -6.020) 11.991 16.877 ( 9.278 -4.633 6.020) 11.991 17.195 ( -3.759 -0.321 -1.762) 4.164 17.195 ( -3.759 -0.321 1.762) 4.164 17.297 ( -2.241 -1.749 -4.148) 5.029 17.297 ( -2.241 -1.749 4.148) 5.029 17.632 ( 0.291 -5.410 -7.735) 9.444 17.632 ( 0.291 -5.410 7.735) 9.444 17.855 ( 0.306 4.810 -3.890) 6.194 17.855 ( 0.306 4.810 3.890) 6.194 18.194 ( -0.799 -0.526 -0.359) 1.022 18.194 ( -0.799 -0.526 0.359) 1.022 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 5.223 1.569 -7.301) 9.113 2.426 ( 5.223 1.569 7.301) 9.113 2.468 ( 5.322 3.391 -3.693) 7.312 2.468 ( 5.322 3.391 3.693) 7.312 2.888 ( -5.558 0.952 -6.393) 8.525 2.888 ( -5.558 0.952 6.393) 8.525 2.953 ( -7.747 0.713 -6.484) 10.127 2.953 ( -7.747 0.713 6.484) 10.127 3.938 ( 6.327 -1.388 -4.727) 8.019 3.938 ( 6.327 -1.388 4.727) 8.019 4.246 ( -3.560 2.416 -3.115) 5.312 4.246 ( -3.560 2.416 3.115) 5.312 4.676 ( -2.725 3.267 -3.578) 5.559 4.676 ( -2.725 3.267 3.578) 5.559 4.942 ( -12.363 0.183 -14.714) 19.220 4.942 ( -12.363 0.183 14.714) 19.220 5.395 ( 1.484 8.178 -15.997) 18.028 5.395 ( 1.484 8.178 15.997) 18.028 5.812 ( -16.361 2.743 -5.940) 17.621 5.812 ( -16.361 2.743 5.940) 17.621 6.496 ( 1.487 0.968 -4.370) 4.716 6.496 ( 1.487 0.968 4.370) 4.716 7.148 ( -10.038 -12.822 -2.358) 16.454 7.148 ( -10.038 -12.822 2.358) 16.454 7.323 ( 7.089 -4.575 -8.454) 11.944 7.323 ( 7.089 -4.575 8.454) 11.944 7.704 ( 3.131 -9.608 -1.517) 10.218 7.704 ( 3.131 -9.608 1.517) 10.218 8.680 ( 5.330 15.500 -0.510) 16.398 8.680 ( 5.330 15.500 0.510) 16.398 10.015 ( 8.120 -3.024 -2.167) 8.932 10.015 ( 8.120 -3.024 2.167) 8.932 11.081 ( -2.484 11.888 -6.067) 13.576 11.081 ( -2.484 11.888 6.067) 13.576 12.958 ( -3.678 -10.751 -2.881) 11.723 12.958 ( -3.678 -10.751 2.881) 11.723 13.283 ( -1.368 7.410 -5.218) 9.166 13.283 ( -1.368 7.410 5.218) 9.166 13.906 ( -1.706 0.153 -6.646) 6.863 13.906 ( -1.706 0.153 6.646) 6.863 15.083 ( 4.597 -5.896 -3.443) 8.231 15.083 ( 4.597 -5.896 3.443) 8.231 15.269 ( 3.567 0.357 -1.120) 3.756 15.269 ( 3.567 0.357 1.120) 3.756 15.655 ( -1.167 7.767 -2.688) 8.301 15.655 ( -1.167 7.767 2.688) 8.301 16.657 ( 8.468 0.028 -4.519) 9.598 16.657 ( 8.468 0.028 4.519) 9.598 17.000 ( 2.446 -5.142 -5.232) 7.733 17.000 ( 2.446 -5.142 5.232) 7.733 17.113 ( -4.732 -0.139 -2.565) 5.384 17.113 ( -4.732 -0.139 2.565) 5.384 17.313 ( 4.481 -2.107 -0.557) 4.983 17.313 ( 4.481 -2.107 0.557) 4.983 17.616 ( -2.027 -4.479 -7.546) 9.007 17.616 ( -2.027 -4.479 7.546) 9.007 17.855 ( -0.183 4.287 -2.439) 4.935 17.855 ( -0.183 4.287 2.439) 4.935 18.179 ( -0.781 -0.495 -0.296) 0.971 18.179 ( -0.781 -0.495 0.296) 0.971 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 4.202 -1.449 -3.521) 5.670 2.499 ( 4.202 -1.449 3.521) 5.670 2.601 ( 3.976 0.127 -3.322) 5.183 2.601 ( 3.976 0.127 3.322) 5.183 2.780 ( -3.474 1.037 -2.958) 4.679 2.780 ( -3.474 1.037 2.958) 4.679 2.822 ( -5.478 2.343 -5.755) 8.283 2.822 ( -5.478 2.343 5.755) 8.283 4.041 ( 3.935 1.388 -1.099) 4.315 4.041 ( 3.935 1.388 1.099) 4.315 4.174 ( -3.289 7.055 -1.530) 7.933 4.174 ( -3.289 7.055 1.530) 7.933 4.664 ( 1.449 -1.461 -0.641) 2.155 4.664 ( 1.449 -1.461 0.641) 2.155 4.765 ( -5.819 -4.603 -9.975) 12.431 4.765 ( -5.819 -4.603 9.975) 12.431 5.436 ( 2.050 12.236 -6.751) 14.124 5.436 ( 2.050 12.236 6.751) 14.124 5.555 ( -8.563 4.459 -4.677) 10.727 5.555 ( -8.563 4.459 4.677) 10.727 6.537 ( 2.146 3.883 -1.373) 4.645 6.537 ( 2.146 3.883 1.373) 4.645 6.959 ( -6.724 -15.157 -0.991) 16.611 6.959 ( -6.724 -15.157 0.991) 16.611 7.436 ( 3.282 -3.311 -3.018) 5.554 7.436 ( 3.282 -3.311 3.018) 5.554 7.750 ( 1.354 -10.470 -0.435) 10.566 7.750 ( 1.354 -10.470 0.435) 10.566 8.753 ( 2.014 14.939 -0.195) 15.075 8.753 ( 2.014 14.939 0.195) 15.075 10.130 ( 3.307 -5.027 -0.850) 6.077 10.130 ( 3.307 -5.027 0.850) 6.077 11.040 ( -1.378 13.092 -2.304) 13.364 11.040 ( -1.378 13.092 2.304) 13.364 12.905 ( -1.512 -10.143 -1.516) 10.367 12.905 ( -1.512 -10.143 1.516) 10.367 13.280 ( 0.285 6.709 -1.426) 6.865 13.280 ( 0.285 6.709 1.426) 6.865 13.875 ( -1.100 0.457 -1.955) 2.290 13.875 ( -1.100 0.457 1.955) 2.290 15.155 ( 2.525 -7.533 -1.624) 8.109 15.155 ( 2.525 -7.533 1.624) 8.109 15.312 ( 0.829 -2.048 -0.414) 2.248 15.312 ( 0.829 -2.048 0.414) 2.248 15.632 ( -0.826 11.347 -1.329) 11.454 15.632 ( -0.826 11.347 1.329) 11.454 16.823 ( 7.979 0.686 -3.986) 8.946 16.823 ( 7.979 0.686 3.986) 8.946 16.981 ( -4.483 -4.947 -1.130) 6.771 16.981 ( -4.483 -4.947 1.130) 6.771 17.031 ( -2.101 -0.837 -0.798) 2.398 17.031 ( -2.101 -0.837 0.798) 2.398 17.436 ( 6.899 -2.681 -3.720) 8.284 17.436 ( 6.899 -2.681 3.720) 8.284 17.551 ( -4.779 -3.420 -6.285) 8.605 17.551 ( -4.779 -3.420 6.285) 8.605 17.852 ( -0.119 3.752 -0.812) 3.841 17.852 ( -0.119 3.752 0.812) 3.841 18.167 ( -0.336 -0.533 -0.126) 0.642 18.167 ( -0.336 -0.533 0.126) 0.642 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 0.000 15.918 -10.433) 19.033 2.291 ( 0.000 15.918 10.433) 19.033 2.965 ( 0.000 0.407 -12.771) 12.777 2.965 ( 0.000 0.407 12.771) 12.777 3.046 ( 0.000 6.155 -7.713) 9.868 3.046 ( 0.000 6.155 7.713) 9.868 3.221 ( 0.000 7.920 -11.971) 14.354 3.221 ( 0.000 7.920 11.971) 14.354 3.545 ( 0.000 -7.164 -1.414) 7.302 3.545 ( 0.000 -7.164 1.414) 7.302 4.040 ( 0.000 -13.403 -10.746) 17.179 4.040 ( 0.000 -13.403 10.746) 17.179 5.199 ( 0.000 24.993 -11.911) 27.686 5.199 ( 0.000 24.993 11.911) 27.686 5.609 ( 0.000 2.532 -21.942) 22.088 5.609 ( 0.000 2.532 21.942) 22.088 5.812 ( 0.000 -2.966 -21.021) 21.229 5.812 ( 0.000 -2.966 21.021) 21.229 6.206 ( 0.000 2.728 -3.378) 4.343 6.206 ( 0.000 2.728 3.378) 4.343 6.364 ( 0.000 -6.115 -12.088) 13.547 6.364 ( 0.000 -6.115 12.088) 13.547 6.865 ( 0.000 -1.978 -9.098) 9.311 6.865 ( 0.000 -1.978 9.098) 9.311 7.068 ( 0.000 -19.827 -4.544) 20.341 7.068 ( 0.000 -19.827 4.544) 20.341 7.547 ( 0.000 -8.990 -2.173) 9.249 7.547 ( 0.000 -8.990 2.173) 9.249 8.753 ( 0.000 15.653 -1.010) 15.686 8.753 ( 0.000 15.653 1.010) 15.686 9.621 ( 0.000 -1.020 -4.169) 4.292 9.621 ( 0.000 -1.020 4.169) 4.292 11.405 ( 0.000 16.461 -7.614) 18.136 11.405 ( 0.000 16.461 7.614) 18.136 12.888 ( 0.000 -11.039 -6.204) 12.663 12.888 ( 0.000 -11.039 6.204) 12.663 13.700 ( 0.000 1.849 -14.763) 14.879 13.700 ( 0.000 1.849 14.763) 14.879 13.998 ( 0.000 2.711 -11.369) 11.688 13.998 ( 0.000 2.711 11.369) 11.688 14.626 ( 0.000 3.613 -6.637) 7.557 14.626 ( 0.000 3.613 6.637) 7.557 15.238 ( 0.000 -2.582 -0.259) 2.595 15.238 ( 0.000 -2.582 0.259) 2.595 15.742 ( 0.000 6.354 -1.605) 6.553 15.742 ( 0.000 6.354 1.605) 6.553 16.344 ( 0.000 -8.607 -0.495) 8.621 16.344 ( 0.000 -8.607 0.495) 8.621 16.549 ( 0.000 -1.307 -1.015) 1.655 16.549 ( 0.000 -1.307 1.015) 1.655 17.271 ( 0.000 -0.104 -1.024) 1.030 17.271 ( 0.000 -0.104 1.024) 1.030 17.397 ( 0.000 -1.733 -0.421) 1.784 17.397 ( 0.000 -1.733 0.421) 1.784 17.459 ( 0.000 -5.295 -3.263) 6.219 17.459 ( 0.000 -5.295 3.263) 6.219 17.938 ( 0.000 5.528 -4.948) 7.419 17.938 ( 0.000 5.528 4.948) 7.419 18.186 ( 0.000 -2.165 -1.361) 2.558 18.186 ( 0.000 -2.165 1.361) 2.558 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 3.772 13.833 -9.735) 17.330 2.330 ( 3.772 13.833 9.735) 17.330 2.764 ( -13.033 2.695 -7.958) 15.506 2.764 ( -13.033 2.695 7.958) 15.506 3.090 ( -0.952 3.034 -4.752) 5.718 3.090 ( -0.952 3.034 4.752) 5.718 3.207 ( -2.777 4.592 -3.983) 6.683 3.207 ( -2.777 4.592 3.983) 6.683 3.608 ( 6.560 -4.101 -3.393) 8.448 3.608 ( 6.560 -4.101 3.393) 8.448 4.070 ( 2.711 -12.516 -9.539) 15.969 4.070 ( 2.711 -12.516 9.539) 15.969 5.205 ( -0.733 26.041 -7.797) 27.194 5.205 ( -0.733 26.041 7.797) 27.194 5.521 ( -7.771 0.831 -24.149) 25.382 5.521 ( -7.771 0.831 24.149) 25.382 5.622 ( -14.559 1.609 -21.025) 25.625 5.622 ( -14.559 1.609 21.025) 25.625 6.246 ( 0.297 -1.359 -5.121) 5.306 6.246 ( 0.297 -1.359 5.121) 5.306 6.420 ( 3.365 -3.530 -6.485) 8.114 6.420 ( 3.365 -3.530 6.485) 8.114 6.850 ( 1.085 -5.021 -11.122) 12.251 6.850 ( 1.085 -5.021 11.122) 12.251 7.106 ( 2.523 -17.252 -4.746) 18.070 7.106 ( 2.523 -17.252 4.746) 18.070 7.511 ( -3.329 -9.244 -2.146) 10.057 7.511 ( -3.329 -9.244 2.146) 10.057 8.792 ( 4.026 16.127 -1.049) 16.655 8.792 ( 4.026 16.127 1.049) 16.655 9.673 ( 5.076 -1.938 -3.851) 6.659 9.673 ( 5.076 -1.938 3.851) 6.659 11.409 ( 0.322 17.039 -7.559) 18.643 11.409 ( 0.322 17.039 7.559) 18.643 12.862 ( -2.638 -12.106 -5.637) 13.612 12.862 ( -2.638 -12.106 5.637) 13.612 13.624 ( -6.725 4.474 -15.577) 17.547 13.624 ( -6.725 4.474 15.577) 17.547 13.961 ( -2.556 0.723 -13.451) 13.711 13.961 ( -2.556 0.723 13.451) 13.711 14.751 ( 10.303 2.266 -6.214) 12.243 14.751 ( 10.303 2.266 6.214) 12.243 15.212 ( -1.973 -2.246 -1.371) 3.289 15.212 ( -1.973 -2.246 1.371) 3.289 15.762 ( 1.904 7.214 -1.611) 7.632 15.762 ( 1.904 7.214 1.611) 7.632 16.378 ( 3.230 -7.519 -1.064) 8.252 16.378 ( 3.230 -7.519 1.064) 8.252 16.621 ( 7.224 -2.128 -2.154) 7.833 16.621 ( 7.224 -2.128 2.154) 7.833 17.245 ( -2.906 -0.908 -0.437) 3.076 17.245 ( -2.906 -0.908 0.437) 3.076 17.331 ( -4.154 -2.208 -3.511) 5.870 17.331 ( -4.154 -2.208 3.511) 5.870 17.505 ( 2.544 -4.230 -4.895) 6.952 17.505 ( 2.544 -4.230 4.895) 6.952 17.944 ( 0.484 5.366 -4.791) 7.210 17.944 ( 0.484 5.366 4.791) 7.210 18.183 ( -0.351 -2.072 -1.333) 2.489 18.183 ( -0.351 -2.072 1.333) 2.489 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 4.859 8.385 -8.257) 12.732 2.420 ( 4.859 8.385 8.257) 12.732 2.549 ( -7.986 2.053 -8.644) 11.946 2.549 ( -7.986 2.053 8.644) 11.946 3.026 ( -5.154 2.293 -3.451) 6.613 3.026 ( -5.154 2.293 3.451) 6.613 3.104 ( -7.070 0.460 -5.204) 8.791 3.104 ( -7.070 0.460 5.204) 8.791 3.769 ( 9.289 -0.147 -5.321) 10.706 3.769 ( 9.289 -0.147 5.321) 10.706 4.129 ( 3.331 -9.899 -6.561) 12.334 4.129 ( 3.331 -9.899 6.561) 12.334 5.080 ( -12.182 17.047 -7.547) 22.270 5.080 ( -12.182 17.047 7.547) 22.270 5.268 ( -16.916 2.322 -12.164) 20.965 5.268 ( -16.916 2.322 12.164) 20.965 5.514 ( 3.476 10.773 -14.055) 18.047 5.514 ( 3.476 10.773 14.055) 18.047 6.152 ( -10.191 3.234 -2.769) 11.045 6.152 ( -10.191 3.234 2.769) 11.045 6.437 ( -0.046 -5.014 -2.326) 5.528 6.437 ( -0.046 -5.014 2.326) 5.528 6.969 ( 9.827 -8.841 -11.966) 17.831 6.969 ( 9.827 -8.841 11.966) 17.831 7.100 ( -4.464 -14.093 -3.398) 15.169 7.100 ( -4.464 -14.093 3.398) 15.169 7.460 ( -0.708 -10.075 -2.617) 10.433 7.460 ( -0.708 -10.075 2.617) 10.433 8.896 ( 6.270 17.045 -1.091) 18.194 8.896 ( 6.270 17.045 1.091) 18.194 9.794 ( 6.833 -4.374 -3.128) 8.696 9.794 ( 6.833 -4.374 3.128) 8.696 11.411 ( -0.285 18.536 -6.934) 19.793 11.411 ( -0.285 18.536 6.934) 19.793 12.791 ( -4.418 -14.200 -3.988) 15.397 12.791 ( -4.418 -14.200 3.988) 15.397 13.499 ( -5.169 7.617 -12.651) 15.646 13.499 ( -5.169 7.617 12.651) 15.646 13.920 ( -1.754 -1.761 -12.156) 12.407 13.920 ( -1.754 -1.761 12.156) 12.407 14.927 ( 6.633 0.134 -4.673) 8.114 14.927 ( 6.633 0.134 4.673) 8.114 15.197 ( 0.980 -2.355 -1.079) 2.770 15.197 ( 0.980 -2.355 1.079) 2.770 15.805 ( 2.367 9.479 -1.474) 9.881 15.805 ( 2.367 9.479 1.474) 9.881 16.466 ( 6.019 -6.460 -2.617) 9.209 16.466 ( 6.019 -6.460 2.617) 9.209 16.795 ( 9.431 -2.472 -3.679) 10.420 16.795 ( 9.431 -2.472 3.679) 10.420 17.164 ( -4.636 -3.175 -1.426) 5.797 17.164 ( -4.636 -3.175 1.426) 5.797 17.271 ( -2.043 -0.594 -2.063) 2.963 17.271 ( -2.043 -0.594 2.063) 2.963 17.537 ( 0.777 -4.132 -5.124) 6.628 17.537 ( 0.777 -4.132 5.124) 6.628 17.950 ( -0.002 5.067 -4.101) 6.519 17.950 ( -0.002 5.067 4.101) 6.519 18.173 ( -0.687 -1.899 -1.189) 2.343 18.173 ( -0.687 -1.899 1.189) 2.343 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -0.546 0.686 -7.211) 7.264 2.439 ( -0.546 0.686 7.211) 7.264 2.538 ( 4.077 2.250 -1.279) 4.829 2.538 ( 4.077 2.250 1.279) 4.829 2.903 ( -7.045 0.842 -3.552) 7.935 2.903 ( -7.045 0.842 3.552) 7.935 2.967 ( -6.690 0.383 -7.934) 10.385 2.967 ( -6.690 0.383 7.934) 10.385 3.947 ( 8.814 2.175 -3.799) 9.841 3.947 ( 8.814 2.175 3.799) 9.841 4.202 ( 4.243 -5.456 -2.524) 7.358 4.202 ( 4.243 -5.456 2.524) 7.358 4.825 ( -12.572 8.893 -14.121) 20.894 4.825 ( -12.572 8.893 14.121) 20.894 4.958 ( -14.391 2.167 -15.515) 21.272 4.958 ( -14.391 2.167 15.515) 21.272 5.620 ( 5.460 15.589 -10.074) 19.347 5.620 ( 5.460 15.589 10.074) 19.347 5.912 ( -12.674 8.608 -5.390) 16.241 5.912 ( -12.674 8.608 5.390) 16.241 6.456 ( 2.302 -6.782 -2.765) 7.677 6.456 ( 2.302 -6.782 2.765) 7.677 6.933 ( -10.801 -8.700 -3.881) 14.402 6.933 ( -10.801 -8.700 3.881) 14.402 7.175 ( 9.905 -10.521 -8.123) 16.577 7.175 ( 9.905 -10.521 8.123) 16.577 7.476 ( 1.199 -12.574 -2.146) 12.812 7.476 ( 1.199 -12.574 2.146) 12.812 9.013 ( 5.387 18.097 -0.913) 18.904 9.013 ( 5.387 18.097 0.913) 18.904 9.915 ( 5.341 -7.533 -2.150) 9.482 9.915 ( 5.341 -7.533 2.150) 9.482 11.397 ( -0.985 20.405 -5.020) 21.036 11.397 ( -0.985 20.405 5.020) 21.036 12.707 ( -3.970 -15.739 -2.324) 16.397 12.707 ( -3.970 -15.739 2.324) 16.397 13.438 ( -1.322 8.834 -7.828) 11.877 13.438 ( -1.322 8.834 7.828) 11.877 13.889 ( -1.548 -2.562 -7.694) 8.256 13.889 ( -1.548 -2.562 7.694) 8.256 15.010 ( 2.898 -1.229 -3.805) 4.938 15.010 ( 2.898 -1.229 3.805) 4.938 15.232 ( 1.667 -3.781 -2.293) 4.726 15.232 ( 1.667 -3.781 2.293) 4.726 15.847 ( 1.823 11.956 -1.398) 12.175 15.847 ( 1.823 11.956 1.398) 12.175 16.605 ( 7.806 -7.337 -3.392) 11.237 16.605 ( 7.806 -7.337 3.392) 11.237 16.917 ( 2.091 -1.541 -3.634) 4.467 16.917 ( 2.091 -1.541 3.634) 4.467 17.097 ( -2.491 -1.912 -1.010) 3.299 17.097 ( -2.491 -1.912 1.010) 3.299 17.271 ( 3.070 -1.808 -0.524) 3.601 17.271 ( 3.070 -1.808 0.524) 3.601 17.532 ( -1.396 -4.001 -5.058) 6.599 17.532 ( -1.396 -4.001 5.058) 6.599 17.944 ( -0.533 4.824 -2.776) 5.592 17.944 ( -0.533 4.824 2.776) 5.592 18.158 ( -0.794 -1.829 -0.854) 2.169 18.158 ( -0.794 -1.829 0.854) 2.169 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 3.666 -0.710 -2.298) 4.385 2.478 ( 3.666 -0.710 2.298) 4.385 2.579 ( -0.852 -1.985 -1.471) 2.613 2.579 ( -0.852 -1.985 1.471) 2.613 2.805 ( -1.343 1.047 -2.900) 3.362 2.805 ( -1.343 1.047 2.900) 3.362 2.854 ( -4.863 0.766 -4.734) 6.830 2.854 ( -4.863 0.766 4.734) 6.830 4.087 ( 4.912 3.197 -0.711) 5.903 4.087 ( 4.912 3.197 0.711) 5.903 4.273 ( 2.014 1.370 -0.530) 2.493 4.273 ( 2.014 1.370 0.530) 2.493 4.656 ( -3.288 1.834 -5.532) 6.691 4.656 ( -3.288 1.834 5.532) 6.691 4.736 ( -8.193 1.166 -8.651) 11.972 4.736 ( -8.193 1.166 8.651) 11.972 5.649 ( -2.849 9.416 -2.719) 10.206 5.649 ( -2.849 9.416 2.719) 10.206 5.767 ( -0.896 18.569 -1.047) 18.620 5.767 ( -0.896 18.569 1.047) 18.620 6.537 ( 6.012 -10.703 -4.057) 12.929 6.537 ( 6.012 -10.703 4.057) 12.929 6.724 ( -9.820 -2.460 -4.453) 11.060 6.724 ( -9.820 -2.460 4.453) 11.060 7.328 ( 5.040 -8.114 -3.265) 10.094 7.328 ( 5.040 -8.114 3.265) 10.094 7.481 ( -0.606 -16.306 -0.778) 16.336 7.481 ( -0.606 -16.306 0.778) 16.336 9.088 ( 2.083 18.918 -0.365) 19.035 9.088 ( 2.083 18.918 0.365) 19.035 9.988 ( 1.977 -9.934 -0.793) 10.159 9.988 ( 1.977 -9.934 0.793) 10.159 11.380 ( -0.566 21.814 -1.840) 21.899 11.380 ( -0.566 21.814 1.840) 21.899 12.651 ( -1.536 -16.500 -0.825) 16.592 12.651 ( -1.536 -16.500 0.825) 16.592 13.431 ( 0.123 9.038 -2.691) 9.431 13.431 ( 0.123 9.038 2.691) 9.431 13.864 ( -0.790 -2.258 -2.513) 3.469 13.864 ( -0.790 -2.258 2.513) 3.469 15.053 ( 1.399 -2.611 -1.451) 3.299 15.053 ( 1.399 -2.611 1.451) 3.299 15.248 ( 0.164 -4.491 -1.032) 4.611 15.248 ( 0.164 -4.491 1.032) 4.611 15.872 ( 0.659 13.605 -0.595) 13.634 15.872 ( 0.659 13.605 0.595) 13.634 16.730 ( 3.969 -12.150 -1.883) 12.919 16.730 ( 3.969 -12.150 1.883) 12.919 16.927 ( 0.704 1.865 -2.000) 2.823 16.927 ( 0.704 1.865 2.000) 2.823 17.038 ( -3.175 0.656 -1.736) 3.678 17.038 ( -3.175 0.656 1.736) 3.678 17.376 ( 6.280 -3.235 -2.810) 7.603 17.376 ( 6.280 -3.235 2.810) 7.603 17.480 ( -4.061 -3.658 -4.352) 6.987 17.480 ( -4.061 -3.658 4.352) 6.987 17.934 ( -0.317 4.659 -0.989) 4.773 17.934 ( -0.317 4.659 0.989) 4.773 18.145 ( -0.371 -1.860 -0.318) 1.923 18.145 ( -0.371 -1.860 0.318) 1.923 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 0.000 6.431 -4.442) 7.816 2.512 ( 0.000 6.431 4.442) 7.816 2.948 ( 0.000 -1.213 -5.503) 5.635 2.948 ( 0.000 -1.213 5.503) 5.635 3.189 ( 0.000 7.174 -2.274) 7.526 3.189 ( 0.000 7.174 2.274) 7.526 3.360 ( 0.000 5.054 -7.321) 8.896 3.360 ( 0.000 5.054 7.321) 8.896 3.416 ( 0.000 -5.447 -1.945) 5.783 3.416 ( 0.000 -5.447 1.945) 5.783 3.812 ( 0.000 -8.600 -7.473) 11.393 3.812 ( 0.000 -8.600 7.473) 11.393 5.581 ( 0.000 9.540 -26.091) 27.781 5.581 ( 0.000 9.540 26.091) 27.781 5.681 ( 0.000 0.041 -21.252) 21.252 5.681 ( 0.000 0.041 21.252) 21.252 5.841 ( 0.000 13.276 -2.542) 13.517 5.841 ( 0.000 13.276 2.542) 13.517 6.187 ( 0.000 -8.816 -5.573) 10.430 6.187 ( 0.000 -8.816 5.573) 10.430 6.337 ( 0.000 8.699 -4.521) 9.804 6.337 ( 0.000 8.699 4.521) 9.804 6.644 ( 0.000 -21.790 -5.555) 22.487 6.644 ( 0.000 -21.790 5.555) 22.487 6.845 ( 0.000 -1.182 -2.581) 2.839 6.845 ( 0.000 -1.182 2.581) 2.839 7.434 ( 0.000 -2.886 -0.878) 3.017 7.434 ( 0.000 -2.886 0.878) 3.017 8.982 ( 0.000 7.273 -0.121) 7.274 8.982 ( 0.000 7.273 0.121) 7.274 9.581 ( 0.000 -2.168 -1.928) 2.901 9.581 ( 0.000 -2.168 1.928) 2.901 11.686 ( 0.000 10.221 -3.742) 10.885 11.686 ( 0.000 10.221 3.742) 10.885 12.690 ( 0.000 -7.547 -3.256) 8.220 12.690 ( 0.000 -7.547 3.256) 8.220 13.727 ( 0.000 0.853 -5.622) 5.686 13.727 ( 0.000 0.853 5.622) 5.686 14.041 ( 0.000 1.411 -4.397) 4.618 14.041 ( 0.000 1.411 4.397) 4.618 14.679 ( 0.000 1.598 -2.610) 3.061 14.679 ( 0.000 1.598 2.610) 3.061 15.198 ( 0.000 -1.321 -0.420) 1.386 15.198 ( 0.000 -1.321 0.420) 1.386 15.903 ( 0.000 10.602 -0.886) 10.639 15.903 ( 0.000 10.602 0.886) 10.639 16.130 ( 0.000 -12.607 -0.974) 12.645 16.130 ( 0.000 -12.607 0.974) 12.645 16.551 ( 0.000 0.506 -0.090) 0.514 16.551 ( 0.000 0.506 0.090) 0.514 17.275 ( 0.000 0.680 -2.192) 2.295 17.275 ( 0.000 0.680 2.192) 2.295 17.321 ( 0.000 -3.682 -3.654) 5.187 17.321 ( 0.000 -3.682 3.654) 5.187 17.428 ( 0.000 -0.084 -0.907) 0.911 17.428 ( 0.000 -0.084 0.907) 0.911 18.040 ( 0.000 4.954 -3.986) 6.359 18.040 ( 0.000 4.954 3.986) 6.359 18.129 ( 0.000 -3.717 -2.635) 4.556 18.129 ( 0.000 -3.717 2.635) 4.556 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 0.531 5.298 -3.951) 6.631 2.517 ( 0.531 5.298 3.951) 6.631 2.801 ( -12.252 0.956 -3.486) 12.774 2.801 ( -12.252 0.956 3.486) 12.774 3.136 ( -3.399 1.640 -2.149) 4.343 3.136 ( -3.399 1.640 2.149) 4.343 3.271 ( -7.577 1.613 -1.358) 7.865 3.271 ( -7.577 1.613 1.358) 7.865 3.576 ( 11.596 0.577 -2.961) 11.982 3.576 ( 11.596 0.577 2.961) 11.982 3.864 ( 4.567 -7.506 -6.499) 10.928 3.864 ( 4.567 -7.506 6.499) 10.928 5.542 ( -8.480 2.525 -21.500) 23.249 5.542 ( -8.480 2.525 21.500) 23.249 5.548 ( -10.851 2.230 -17.386) 20.615 5.548 ( -10.851 2.230 17.386) 20.615 5.812 ( -0.083 21.903 -4.147) 22.292 5.812 ( -0.083 21.903 4.147) 22.292 6.177 ( 1.307 -8.277 -5.426) 9.983 6.177 ( 1.307 -8.277 5.426) 9.983 6.394 ( 1.562 3.374 -2.186) 4.313 6.394 ( 1.562 3.374 2.186) 4.313 6.622 ( -1.063 -17.795 -6.170) 18.864 6.622 ( -1.063 -17.795 6.170) 18.864 6.894 ( 4.219 -3.454 -3.367) 6.408 6.894 ( 4.219 -3.454 3.367) 6.408 7.394 ( -3.611 -2.999 -0.947) 4.788 7.394 ( -3.611 -2.999 0.947) 4.788 9.032 ( 4.993 7.731 -0.548) 9.219 9.032 ( 4.993 7.731 0.548) 9.219 9.617 ( 3.463 -2.788 -1.865) 4.821 9.617 ( 3.463 -2.788 1.865) 4.821 11.706 ( 1.860 11.063 -3.845) 11.859 11.706 ( 1.860 11.063 3.845) 11.859 12.644 ( -4.658 -8.530 -3.197) 10.231 12.644 ( -4.658 -8.530 3.197) 10.231 13.694 ( -3.067 2.322 -7.477) 8.409 13.694 ( -3.067 2.322 7.477) 8.409 13.966 ( -5.941 -0.066 -6.722) 8.972 13.966 ( -5.941 -0.066 6.722) 8.972 14.789 ( 9.232 1.377 -2.468) 9.655 14.789 ( 9.232 1.377 2.468) 9.655 15.173 ( -2.055 -1.401 -0.345) 2.511 15.173 ( -2.055 -1.401 0.345) 2.511 15.940 ( 3.438 11.294 -0.749) 11.829 15.940 ( 3.438 11.294 0.749) 11.829 16.174 ( 4.104 -12.629 -0.712) 13.298 16.174 ( 4.104 -12.629 0.712) 13.298 16.616 ( 6.658 0.445 -0.421) 6.686 16.616 ( 6.658 0.445 0.421) 6.686 17.218 ( -5.543 -1.351 -0.683) 5.746 17.218 ( -5.543 -1.351 0.683) 5.746 17.296 ( -1.320 -0.948 -1.226) 2.036 17.296 ( -1.320 -0.948 1.226) 2.036 17.459 ( 1.959 -0.915 -1.631) 2.708 17.459 ( 1.959 -0.915 1.631) 2.708 18.043 ( 0.219 4.861 -3.895) 6.233 18.043 ( 0.219 4.861 3.895) 6.233 18.128 ( -0.183 -3.661 -2.604) 4.496 18.128 ( -0.183 -3.661 2.604) 4.496 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.133 3.038 -4.193) 5.180 2.528 ( 0.133 3.038 4.193) 5.180 2.578 ( -9.041 0.638 -3.716) 9.795 2.578 ( -9.041 0.638 3.716) 9.795 3.059 ( -5.065 1.122 -1.088) 5.301 3.059 ( -5.065 1.122 1.088) 5.301 3.103 ( -9.052 -0.393 -2.898) 9.513 3.103 ( -9.052 -0.393 2.898) 9.513 3.801 ( 11.494 2.819 -4.391) 12.623 3.801 ( 11.494 2.819 4.391) 12.623 3.965 ( 5.781 -6.353 -5.278) 10.081 3.965 ( 5.781 -6.353 5.278) 10.081 5.241 ( -17.642 2.179 -14.648) 23.034 5.241 ( -17.642 2.179 14.648) 23.034 5.316 ( -14.877 1.748 -15.085) 21.259 5.316 ( -14.877 1.748 15.085) 21.259 5.880 ( 5.128 23.289 -5.176) 24.402 5.880 ( 5.128 23.289 5.176) 24.402 6.211 ( 0.504 -4.231 -1.486) 4.512 6.211 ( 0.504 -4.231 1.486) 4.512 6.340 ( -5.412 2.960 -6.399) 8.888 6.340 ( -5.412 2.960 6.399) 8.888 6.640 ( 2.413 -21.782 -5.602) 22.620 6.640 ( 2.413 -21.782 5.602) 22.620 6.971 ( 3.459 -1.867 -1.183) 4.105 6.971 ( 3.459 -1.867 1.183) 4.105 7.328 ( -2.586 -3.510 -1.784) 4.710 7.328 ( -2.586 -3.510 1.784) 4.710 9.162 ( 7.977 9.172 -0.899) 12.189 9.162 ( 7.977 9.172 0.899) 12.189 9.693 ( 3.858 -4.729 -1.720) 6.341 9.693 ( 3.858 -4.729 1.720) 6.341 11.749 ( 2.422 13.689 -3.898) 14.438 11.749 ( 2.422 13.689 3.898) 14.438 12.525 ( -7.236 -11.326 -2.974) 13.765 12.525 ( -7.236 -11.326 2.974) 13.765 13.634 ( -2.577 5.519 -9.196) 11.030 13.634 ( -2.577 5.519 9.196) 11.030 13.863 ( -4.259 -3.371 -8.993) 10.506 13.863 ( -4.259 -3.371 8.993) 10.506 14.956 ( 6.834 2.024 -2.852) 7.677 14.956 ( 6.834 2.024 2.852) 7.677 15.141 ( -0.898 -2.720 -1.788) 3.376 15.141 ( -0.898 -2.720 1.788) 3.376 16.018 ( 4.246 12.511 -0.961) 13.246 16.018 ( 4.246 12.511 0.961) 13.246 16.273 ( 6.038 -12.609 -1.239) 14.035 16.273 ( 6.038 -12.609 1.239) 14.035 16.791 ( 10.536 0.857 -1.283) 10.649 16.791 ( 10.536 0.857 1.283) 10.649 17.100 ( -5.923 -2.495 -0.934) 6.495 17.100 ( -5.923 -2.495 0.934) 6.495 17.269 ( -1.511 0.089 -0.694) 1.665 17.269 ( -1.511 0.089 0.694) 1.665 17.484 ( 0.505 -1.420 -1.918) 2.439 17.484 ( 0.505 -1.420 1.918) 2.439 18.043 ( -0.269 4.626 -3.384) 5.738 18.043 ( -0.269 4.626 3.384) 5.738 18.121 ( -0.523 -3.488 -2.307) 4.214 18.121 ( -0.523 -3.488 2.307) 4.214 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -2.306 0.635 -3.126) 3.936 2.454 ( -2.306 0.635 3.126) 3.936 2.551 ( 0.847 -0.173 -0.524) 1.011 2.551 ( 0.847 -0.173 0.524) 1.011 2.919 ( -8.048 0.584 -2.721) 8.515 2.919 ( -8.048 0.584 2.721) 8.515 2.965 ( -6.004 -0.307 -4.134) 7.296 2.965 ( -6.004 -0.307 4.134) 7.296 4.008 ( 9.378 4.004 -3.745) 10.863 4.008 ( 9.378 4.004 3.745) 10.863 4.095 ( 8.105 -5.214 -3.429) 10.229 4.095 ( 8.105 -5.214 3.429) 10.229 4.909 ( -15.772 1.193 -6.539) 17.115 4.909 ( -15.772 1.193 6.539) 17.115 5.026 ( -14.465 2.918 -6.734) 16.220 5.026 ( -14.465 2.918 6.734) 16.220 5.925 ( -1.755 13.707 -4.178) 14.437 5.925 ( -1.755 13.707 4.178) 14.437 6.159 ( -5.076 9.457 -2.878) 11.112 6.159 ( -5.076 9.457 2.878) 11.112 6.290 ( 1.702 0.233 -2.784) 3.271 6.290 ( 1.702 0.233 2.784) 3.271 6.680 ( 0.907 -21.072 -2.584) 21.249 6.680 ( 0.907 -21.072 2.584) 21.249 7.043 ( 4.685 -1.101 -2.239) 5.307 7.043 ( 4.685 -1.101 2.239) 5.307 7.294 ( -1.510 -5.630 -2.611) 6.387 7.294 ( -1.510 -5.630 2.611) 6.387 9.319 ( 7.741 12.159 -0.994) 14.448 9.319 ( 7.741 12.159 0.994) 14.448 9.749 ( 1.698 -8.371 -1.448) 8.664 9.749 ( 1.698 -8.371 1.448) 8.664 11.793 ( 2.041 18.270 -3.294) 18.677 11.793 ( 2.041 18.270 3.294) 18.677 12.386 ( -6.659 -15.872 -2.436) 17.383 12.386 ( -6.659 -15.872 2.436) 17.383 13.606 ( -0.319 8.003 -7.593) 11.037 13.606 ( -0.319 8.003 7.593) 11.037 13.803 ( -2.130 -5.770 -7.486) 9.689 13.803 ( -2.130 -5.770 7.486) 9.689 15.038 ( 2.181 3.672 -3.573) 5.568 15.038 ( 2.181 3.672 3.573) 5.568 15.142 ( 0.657 -5.199 -3.050) 6.063 15.142 ( 0.657 -5.199 3.050) 6.063 16.093 ( 3.456 13.356 -0.969) 13.830 16.093 ( 3.456 13.356 0.969) 13.830 16.390 ( 5.317 -13.289 -1.549) 14.397 16.390 ( 5.317 -13.289 1.549) 14.397 16.951 ( 3.118 3.962 -3.207) 5.976 16.951 ( 3.118 3.962 3.207) 5.976 17.035 ( 1.042 -4.322 -1.759) 4.781 17.035 ( 1.042 -4.322 1.759) 4.781 17.253 ( 0.832 -0.251 -0.231) 0.899 17.253 ( 0.832 -0.251 0.231) 0.899 17.476 ( -1.387 -1.629 -1.944) 2.891 17.476 ( -1.387 -1.629 1.944) 2.891 18.033 ( -0.687 4.442 -2.337) 5.066 18.033 ( -0.687 4.442 2.337) 5.066 18.108 ( -0.771 -3.366 -1.620) 3.815 18.108 ( -0.771 -3.366 1.620) 3.815 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 3.382 -0.051 -0.927) 3.507 2.472 ( 3.382 -0.051 0.927) 3.507 2.546 ( -2.221 -1.108 -0.619) 2.558 2.546 ( -2.221 -1.108 0.619) 2.558 2.814 ( -1.590 0.028 -1.240) 2.017 2.814 ( -1.590 0.028 1.240) 2.017 2.856 ( -4.841 -0.149 -1.788) 5.163 2.856 ( -4.841 -0.149 1.788) 5.163 4.154 ( 5.588 3.423 -0.579) 6.579 4.154 ( 5.588 3.423 0.579) 6.579 4.242 ( 4.573 -3.036 -0.369) 5.502 4.242 ( 4.573 -3.036 0.369) 5.502 4.694 ( -4.248 1.132 -2.236) 4.932 4.694 ( -4.248 1.132 2.236) 4.932 4.780 ( -10.442 2.052 -2.747) 10.990 4.780 ( -10.442 2.052 2.747) 10.990 5.860 ( -2.861 12.657 -2.356) 13.189 5.860 ( -2.861 12.657 2.356) 13.189 6.073 ( -2.782 0.900 -1.636) 3.350 6.073 ( -2.782 0.900 1.636) 3.350 6.358 ( 3.210 7.138 -1.207) 7.920 6.358 ( 3.210 7.138 1.207) 7.920 6.670 ( -1.192 -11.113 -1.340) 11.257 6.670 ( -1.192 -11.113 1.340) 11.257 7.150 ( 5.637 -5.864 -0.762) 8.170 7.150 ( 5.637 -5.864 0.762) 8.170 7.248 ( -3.465 -7.009 -1.619) 7.984 7.248 ( -3.465 -7.009 1.619) 7.984 9.434 ( 3.560 16.704 -0.533) 17.087 9.434 ( 3.560 16.704 0.533) 17.087 9.761 ( -0.059 -13.383 -0.681) 13.400 9.761 ( -0.059 -13.383 0.681) 13.400 11.823 ( 0.948 23.498 -1.411) 23.559 11.823 ( 0.948 23.498 1.411) 23.559 12.289 ( -2.841 -20.995 -1.068) 21.213 12.289 ( -2.841 -20.995 1.068) 21.213 13.610 ( 0.351 9.324 -3.080) 9.825 13.610 ( 0.351 9.324 3.080) 9.825 13.777 ( -0.686 -6.804 -2.988) 7.463 13.777 ( -0.686 -6.804 2.988) 7.463 15.062 ( 0.580 3.195 -1.408) 3.539 15.062 ( 0.580 3.195 1.408) 3.539 15.150 ( 0.168 -5.420 -1.272) 5.570 15.150 ( 0.168 -5.420 1.272) 5.570 16.145 ( 1.645 15.087 -0.438) 15.182 16.145 ( 1.645 15.087 0.438) 15.182 16.453 ( 1.220 -15.682 -0.706) 15.746 16.453 ( 1.220 -15.682 0.706) 15.746 16.979 ( 2.186 2.432 -1.755) 3.711 16.979 ( 2.186 2.432 1.755) 3.711 17.042 ( -1.919 -0.334 -0.972) 2.177 17.042 ( -1.919 -0.334 0.972) 2.177 17.328 ( 5.751 -1.495 -1.163) 6.055 17.328 ( 5.751 -1.495 1.163) 6.055 17.426 ( -3.935 -1.676 -1.725) 4.612 17.426 ( -3.935 -1.676 1.725) 4.612 18.021 ( -0.379 4.370 -0.849) 4.468 18.021 ( -0.379 4.370 0.849) 4.468 18.096 ( -0.393 -3.354 -0.594) 3.429 18.096 ( -0.393 -3.354 0.594) 3.429 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/37800 10.0 6738.044 3020.482 5380.193 0.000 0.000 0.000 3/37800 20.0 920.039 464.528 735.761 0.000 0.000 0.000 3/37800 30.0 334.327 172.110 264.981 0.000 0.000 0.000 3/37800 40.0 169.271 90.463 133.614 0.000 0.000 0.000 3/37800 50.0 103.362 57.071 81.230 0.000 0.000 0.000 3/37800 60.0 71.364 40.522 56.003 0.000 0.000 0.000 3/37800 70.0 53.552 31.181 42.062 0.000 0.000 0.000 3/37800 80.0 42.557 25.363 33.494 0.000 0.000 0.000 3/37800 90.0 35.207 21.451 27.776 0.000 0.000 0.000 3/37800 100.0 29.982 18.655 23.709 0.000 0.000 0.000 3/37800 110.0 26.088 16.560 20.675 0.000 0.000 0.000 3/37800 120.0 23.079 14.929 18.325 0.000 0.000 0.000 3/37800 130.0 20.685 13.620 16.453 0.000 0.000 0.000 3/37800 140.0 18.738 12.544 14.926 0.000 0.000 0.000 3/37800 150.0 17.124 11.640 13.657 0.000 0.000 0.000 3/37800 160.0 15.766 10.870 12.588 0.000 0.000 0.000 3/37800 170.0 14.608 10.203 11.675 0.000 0.000 0.000 3/37800 180.0 13.609 9.620 10.886 0.000 0.000 0.000 3/37800 190.0 12.740 9.105 10.198 0.000 0.000 0.000 3/37800 200.0 11.977 8.646 9.593 0.000 0.000 0.000 3/37800 210.0 11.301 8.233 9.057 0.000 0.000 0.000 3/37800 220.0 10.699 7.861 8.578 0.000 0.000 0.000 3/37800 230.0 10.160 7.522 8.149 0.000 0.000 0.000 3/37800 240.0 9.673 7.212 7.762 0.000 0.000 0.000 3/37800 250.0 9.232 6.928 7.411 0.000 0.000 0.000 3/37800 260.0 8.831 6.667 7.091 0.000 0.000 0.000 3/37800 270.0 8.463 6.425 6.798 0.000 0.000 0.000 3/37800 280.0 8.126 6.200 6.529 0.000 0.000 0.000 3/37800 290.0 7.816 5.991 6.281 0.000 0.000 0.000 3/37800 300.0 7.529 5.796 6.052 0.000 0.000 0.000 3/37800 310.0 7.263 5.613 5.839 0.000 0.000 0.000 3/37800 320.0 7.016 5.442 5.641 0.000 0.000 0.000 3/37800 330.0 6.785 5.281 5.456 0.000 0.000 0.000 3/37800 340.0 6.569 5.129 5.284 0.000 0.000 0.000 3/37800 350.0 6.367 4.986 5.122 0.000 0.000 0.000 3/37800 360.0 6.178 4.851 4.970 0.000 0.000 0.000 3/37800 370.0 5.999 4.723 4.827 0.000 0.000 0.000 3/37800 380.0 5.831 4.602 4.692 0.000 0.000 0.000 3/37800 390.0 5.672 4.487 4.565 0.000 0.000 0.000 3/37800 400.0 5.522 4.377 4.445 0.000 0.000 0.000 3/37800 410.0 5.380 4.273 4.331 0.000 0.000 0.000 3/37800 420.0 5.245 4.173 4.222 0.000 0.000 0.000 3/37800 430.0 5.117 4.078 4.119 0.000 0.000 0.000 3/37800 440.0 4.995 3.987 4.022 0.000 0.000 0.000 3/37800 450.0 4.879 3.901 3.928 0.000 0.000 0.000 3/37800 460.0 4.768 3.818 3.839 0.000 0.000 0.000 3/37800 470.0 4.662 3.738 3.754 0.000 0.000 0.000 3/37800 480.0 4.561 3.662 3.673 0.000 0.000 0.000 3/37800 490.0 4.464 3.588 3.595 0.000 0.000 0.000 3/37800 500.0 4.372 3.518 3.521 0.000 0.000 0.000 3/37800 510.0 4.283 3.450 3.450 0.000 0.000 0.000 3/37800 520.0 4.198 3.385 3.381 0.000 0.000 0.000 3/37800 530.0 4.116 3.322 3.315 0.000 0.000 0.000 3/37800 540.0 4.037 3.262 3.252 0.000 0.000 0.000 3/37800 550.0 3.961 3.204 3.191 0.000 0.000 0.000 3/37800 560.0 3.888 3.147 3.133 0.000 0.000 0.000 3/37800 570.0 3.818 3.093 3.076 0.000 0.000 0.000 3/37800 580.0 3.751 3.040 3.022 0.000 0.000 0.000 3/37800 590.0 3.685 2.990 2.969 0.000 0.000 0.000 3/37800 600.0 3.622 2.941 2.919 0.000 0.000 0.000 3/37800 610.0 3.561 2.893 2.870 0.000 0.000 0.000 3/37800 620.0 3.503 2.847 2.822 0.000 0.000 0.000 3/37800 630.0 3.446 2.803 2.777 0.000 0.000 0.000 3/37800 640.0 3.391 2.759 2.732 0.000 0.000 0.000 3/37800 650.0 3.337 2.718 2.689 0.000 0.000 0.000 3/37800 660.0 3.286 2.677 2.648 0.000 0.000 0.000 3/37800 670.0 3.236 2.637 2.608 0.000 0.000 0.000 3/37800 680.0 3.187 2.599 2.568 0.000 0.000 0.000 3/37800 690.0 3.140 2.562 2.531 0.000 0.000 0.000 3/37800 700.0 3.094 2.526 2.494 0.000 0.000 0.000 3/37800 710.0 3.050 2.491 2.458 0.000 0.000 0.000 3/37800 720.0 3.007 2.456 2.423 0.000 0.000 0.000 3/37800 730.0 2.965 2.423 2.390 0.000 0.000 0.000 3/37800 740.0 2.924 2.391 2.357 0.000 0.000 0.000 3/37800 750.0 2.884 2.359 2.325 0.000 0.000 0.000 3/37800 760.0 2.846 2.329 2.294 0.000 0.000 0.000 3/37800 770.0 2.808 2.299 2.264 0.000 0.000 0.000 3/37800 780.0 2.772 2.269 2.234 0.000 0.000 0.000 3/37800 790.0 2.736 2.241 2.206 0.000 0.000 0.000 3/37800 800.0 2.701 2.213 2.178 0.000 0.000 0.000 3/37800 810.0 2.668 2.186 2.150 0.000 0.000 0.000 3/37800 820.0 2.635 2.160 2.124 0.000 0.000 0.000 3/37800 830.0 2.603 2.134 2.098 0.000 0.000 0.000 3/37800 840.0 2.571 2.109 2.073 0.000 0.000 0.000 3/37800 850.0 2.541 2.084 2.048 0.000 0.000 0.000 3/37800 860.0 2.511 2.060 2.024 0.000 0.000 0.000 3/37800 870.0 2.481 2.037 2.000 0.000 0.000 0.000 3/37800 880.0 2.453 2.014 1.977 0.000 0.000 0.000 3/37800 890.0 2.425 1.991 1.955 0.000 0.000 0.000 3/37800 900.0 2.398 1.969 1.933 0.000 0.000 0.000 3/37800 910.0 2.371 1.948 1.912 0.000 0.000 0.000 3/37800 920.0 2.345 1.927 1.891 0.000 0.000 0.000 3/37800 930.0 2.320 1.906 1.870 0.000 0.000 0.000 3/37800 940.0 2.295 1.886 1.850 0.000 0.000 0.000 3/37800 950.0 2.270 1.867 1.830 0.000 0.000 0.000 3/37800 960.0 2.246 1.847 1.811 0.000 0.000 0.000 3/37800 970.0 2.223 1.828 1.792 0.000 0.000 0.000 3/37800 980.0 2.200 1.810 1.774 0.000 0.000 0.000 3/37800 990.0 2.178 1.792 1.756 0.000 0.000 0.000 3/37800 1000.0 2.156 1.774 1.738 0.000 0.000 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:02:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|