----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:56:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.225402890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.164533390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.348176940000000 Atomic positions (fractional): *1 O 0.00000000000000 0.04947748341611 0.75000000000000 15.999 2 O 0.50000000000000 0.45052251658389 0.25000000000000 15.999 3 O 0.00000000000000 0.95052251658389 0.25000000000000 15.999 4 O 0.50000000000000 0.54947748341611 0.75000000000000 15.999 *5 O 0.84863084181561 0.60688879175381 0.61281583272525 15.999 6 O 0.15136915818439 0.60688879175381 0.88718416727475 15.999 7 O 0.65136915818439 0.89311120824619 0.11281583272525 15.999 8 O 0.34863084181561 0.89311120824619 0.38718416727475 15.999 9 O 0.15136915818439 0.39311120824619 0.38718416727475 15.999 10 O 0.84863084181561 0.39311120824619 0.11281583272525 15.999 11 O 0.34863084181561 0.10688879175381 0.88718416727475 15.999 12 O 0.65136915818439 0.10688879175381 0.61281583272525 15.999 *13 Rh 0.10739707570260 0.74986312542975 0.53021871152138 102.906 14 Rh 0.89260292429740 0.74986312542975 0.96978128847862 102.906 15 Rh 0.39260292429740 0.75013687457025 0.03021871152138 102.906 16 Rh 0.60739707570260 0.75013687457025 0.46978128847862 102.906 17 Rh 0.89260292429740 0.25013687457025 0.46978128847862 102.906 18 Rh 0.10739707570260 0.25013687457025 0.03021871152138 102.906 19 Rh 0.60739707570260 0.24986312542975 0.96978128847862 102.906 20 Rh 0.39260292429740 0.24986312542975 0.53021871152138 102.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.225402890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.164533390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.348176940000000 Atomic positions (fractional): *1 O 0.00000000000000 0.04947748341611 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.45052251658389 0.25000000000000 15.999 > 2 3 O 0.00000000000000 0.95052251658389 0.25000000000000 15.999 > 3 4 O 0.50000000000000 0.54947748341611 0.75000000000000 15.999 > 4 *5 O 0.84863084181561 0.60688879175381 0.61281583272525 15.999 > 5 6 O 0.15136915818439 0.60688879175381 0.88718416727475 15.999 > 6 7 O 0.65136915818439 0.89311120824619 0.11281583272525 15.999 > 7 8 O 0.34863084181561 0.89311120824619 0.38718416727475 15.999 > 8 9 O 0.15136915818439 0.39311120824619 0.38718416727475 15.999 > 9 10 O 0.84863084181561 0.39311120824619 0.11281583272525 15.999 > 10 11 O 0.34863084181561 0.10688879175381 0.88718416727475 15.999 > 11 12 O 0.65136915818439 0.10688879175381 0.61281583272525 15.999 > 12 *13 Rh 0.10739707570260 0.74986312542975 0.53021871152138 102.906 > 13 14 Rh 0.89260292429740 0.74986312542975 0.96978128847862 102.906 > 14 15 Rh 0.39260292429740 0.75013687457025 0.03021871152138 102.906 > 15 16 Rh 0.60739707570260 0.75013687457025 0.46978128847862 102.906 > 16 17 Rh 0.89260292429740 0.25013687457025 0.46978128847862 102.906 > 17 18 Rh 0.10739707570260 0.25013687457025 0.03021871152138 102.906 > 18 19 Rh 0.60739707570260 0.24986312542975 0.96978128847862 102.906 > 19 20 Rh 0.39260292429740 0.24986312542975 0.53021871152138 102.906 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.225402890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.329066780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.696353880000000 Atomic positions (fractional): *1 O 0.00000000000000 0.02473874170806 0.37500000000000 15.999 > 1 2 O 0.00000000000000 0.52473874170806 0.37500000000000 15.999 > 1 3 O 0.00000000000000 0.02473874170806 0.87500000000000 15.999 > 1 4 O 0.00000000000000 0.52473874170806 0.87500000000000 15.999 > 1 5 O 0.50000000000000 0.22526125829194 0.12500000000000 15.999 > 2 6 O 0.50000000000000 0.72526125829194 0.12500000000000 15.999 > 2 7 O 0.50000000000000 0.22526125829194 0.62500000000000 15.999 > 2 8 O 0.50000000000000 0.72526125829194 0.62500000000000 15.999 > 2 9 O 0.00000000000000 0.47526125829194 0.12500000000000 15.999 > 3 10 O 0.00000000000000 0.97526125829194 0.12500000000000 15.999 > 3 11 O 0.00000000000000 0.47526125829194 0.62500000000000 15.999 > 3 12 O 0.00000000000000 0.97526125829194 0.62500000000000 15.999 > 3 13 O 0.50000000000000 0.27473874170806 0.37500000000000 15.999 > 4 14 O 0.50000000000000 0.77473874170806 0.37500000000000 15.999 > 4 15 O 0.50000000000000 0.27473874170806 0.87500000000000 15.999 > 4 16 O 0.50000000000000 0.77473874170806 0.87500000000000 15.999 > 4 *17 O 0.84863084181561 0.30344439587691 0.30640791636262 15.999 > 5 18 O 0.84863084181561 0.80344439587691 0.30640791636262 15.999 > 5 19 O 0.84863084181561 0.30344439587691 0.80640791636262 15.999 > 5 20 O 0.84863084181561 0.80344439587691 0.80640791636262 15.999 > 5 21 O 0.15136915818439 0.30344439587691 0.44359208363738 15.999 > 6 22 O 0.15136915818439 0.80344439587691 0.44359208363738 15.999 > 6 23 O 0.15136915818439 0.30344439587691 0.94359208363738 15.999 > 6 24 O 0.15136915818439 0.80344439587691 0.94359208363738 15.999 > 6 25 O 0.65136915818439 0.44655560412309 0.05640791636262 15.999 > 7 26 O 0.65136915818439 0.94655560412309 0.05640791636262 15.999 > 7 27 O 0.65136915818439 0.44655560412309 0.55640791636262 15.999 > 7 28 O 0.65136915818439 0.94655560412309 0.55640791636262 15.999 > 7 29 O 0.34863084181561 0.44655560412309 0.19359208363738 15.999 > 8 30 O 0.34863084181561 0.94655560412309 0.19359208363738 15.999 > 8 31 O 0.34863084181561 0.44655560412309 0.69359208363738 15.999 > 8 32 O 0.34863084181561 0.94655560412309 0.69359208363738 15.999 > 8 33 O 0.15136915818439 0.19655560412309 0.19359208363738 15.999 > 9 34 O 0.15136915818439 0.69655560412309 0.19359208363738 15.999 > 9 35 O 0.15136915818439 0.19655560412309 0.69359208363738 15.999 > 9 36 O 0.15136915818439 0.69655560412309 0.69359208363738 15.999 > 9 37 O 0.84863084181561 0.19655560412309 0.05640791636262 15.999 > 10 38 O 0.84863084181561 0.69655560412309 0.05640791636262 15.999 > 10 39 O 0.84863084181561 0.19655560412309 0.55640791636262 15.999 > 10 40 O 0.84863084181561 0.69655560412309 0.55640791636262 15.999 > 10 41 O 0.34863084181561 0.05344439587691 0.44359208363738 15.999 > 11 42 O 0.34863084181561 0.55344439587691 0.44359208363738 15.999 > 11 43 O 0.34863084181561 0.05344439587691 0.94359208363738 15.999 > 11 44 O 0.34863084181561 0.55344439587691 0.94359208363738 15.999 > 11 45 O 0.65136915818439 0.05344439587691 0.30640791636262 15.999 > 12 46 O 0.65136915818439 0.55344439587691 0.30640791636262 15.999 > 12 47 O 0.65136915818439 0.05344439587691 0.80640791636262 15.999 > 12 48 O 0.65136915818439 0.55344439587691 0.80640791636262 15.999 > 12 *49 Rh 0.10739707570260 0.37493156271487 0.26510935576069 102.906 > 13 50 Rh 0.10739707570260 0.87493156271488 0.26510935576069 102.906 > 13 51 Rh 0.10739707570260 0.37493156271487 0.76510935576069 102.906 > 13 52 Rh 0.10739707570260 0.87493156271488 0.76510935576069 102.906 > 13 53 Rh 0.89260292429740 0.37493156271487 0.48489064423931 102.906 > 14 54 Rh 0.89260292429740 0.87493156271488 0.48489064423931 102.906 > 14 55 Rh 0.89260292429740 0.37493156271487 0.98489064423931 102.906 > 14 56 Rh 0.89260292429740 0.87493156271488 0.98489064423931 102.906 > 14 57 Rh 0.39260292429740 0.37506843728513 0.01510935576069 102.906 > 15 58 Rh 0.39260292429740 0.87506843728512 0.01510935576069 102.906 > 15 59 Rh 0.39260292429740 0.37506843728513 0.51510935576069 102.906 > 15 60 Rh 0.39260292429740 0.87506843728512 0.51510935576069 102.906 > 15 61 Rh 0.60739707570260 0.37506843728513 0.23489064423931 102.906 > 16 62 Rh 0.60739707570260 0.87506843728512 0.23489064423931 102.906 > 16 63 Rh 0.60739707570260 0.37506843728513 0.73489064423931 102.906 > 16 64 Rh 0.60739707570260 0.87506843728512 0.73489064423931 102.906 > 16 65 Rh 0.89260292429740 0.12506843728513 0.23489064423931 102.906 > 17 66 Rh 0.89260292429740 0.62506843728512 0.23489064423931 102.906 > 17 67 Rh 0.89260292429740 0.12506843728513 0.73489064423931 102.906 > 17 68 Rh 0.89260292429740 0.62506843728512 0.73489064423931 102.906 > 17 69 Rh 0.10739707570260 0.12506843728513 0.01510935576069 102.906 > 18 70 Rh 0.10739707570260 0.62506843728512 0.01510935576069 102.906 > 18 71 Rh 0.10739707570260 0.12506843728513 0.51510935576069 102.906 > 18 72 Rh 0.10739707570260 0.62506843728512 0.51510935576069 102.906 > 18 73 Rh 0.60739707570260 0.12493156271488 0.48489064423931 102.906 > 19 74 Rh 0.60739707570260 0.62493156271488 0.48489064423931 102.906 > 19 75 Rh 0.60739707570260 0.12493156271488 0.98489064423931 102.906 > 19 76 Rh 0.60739707570260 0.62493156271488 0.98489064423931 102.906 > 19 77 Rh 0.39260292429740 0.12493156271488 0.26510935576069 102.906 > 20 78 Rh 0.39260292429740 0.62493156271488 0.26510935576069 102.906 > 20 79 Rh 0.39260292429740 0.12493156271488 0.76510935576069 102.906 > 20 80 Rh 0.39260292429740 0.62493156271488 0.76510935576069 102.906 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.9772182 0.0000000 0.0000000 0.0000000 21.3200253 0.0000000 0.0000000 0.0000000 22.5020545 -------------------------- Born effective charges -------------------------- 1 O 0.3226547 0.0000000 0.3084541 0.0000000 -1.3708189 0.0000000 0.0998476 0.0000000 -1.4156770 2 O 0.3226547 0.0000000 -0.3084541 0.0000000 -1.3708189 0.0000000 -0.0998476 0.0000000 -1.4156770 3 O 0.3226547 0.0000000 0.3084541 0.0000000 -1.3708189 0.0000000 0.0998476 0.0000000 -1.4156770 4 O 0.3226547 0.0000000 -0.3084541 0.0000000 -1.3708189 0.0000000 -0.0998476 0.0000000 -1.4156770 5 O -1.2843887 -0.3898060 0.1021446 -0.3457605 -0.5372576 -0.5414018 -0.2253286 -0.4664604 -0.4986401 6 O -1.2843887 0.3898060 0.1021446 0.3457605 -0.5372576 0.5414018 -0.2253286 0.4664604 -0.4986401 7 O -1.2843887 -0.3898060 -0.1021446 -0.3457605 -0.5372576 0.5414018 0.2253286 0.4664604 -0.4986401 8 O -1.2843887 0.3898060 -0.1021446 0.3457605 -0.5372576 -0.5414018 0.2253286 -0.4664604 -0.4986401 9 O -1.2843887 -0.3898060 0.1021446 -0.3457605 -0.5372576 -0.5414018 -0.2253286 -0.4664604 -0.4986401 10 O -1.2843887 0.3898060 0.1021446 0.3457605 -0.5372576 0.5414018 -0.2253286 0.4664604 -0.4986401 11 O -1.2843887 -0.3898060 -0.1021446 -0.3457605 -0.5372576 0.5414018 0.2253286 0.4664604 -0.4986401 12 O -1.2843887 0.3898060 -0.1021446 0.3457605 -0.5372576 -0.5414018 0.2253286 -0.4664604 -0.4986401 13 Rh 1.1230614 0.5660304 -1.3038845 -0.7576753 1.2226670 -0.7758585 -0.9058845 -0.0702320 1.2064786 14 Rh 1.1230614 -0.5660304 -1.3038845 0.7576753 1.2226670 0.7758585 -0.9058845 0.0702320 1.2064786 15 Rh 1.1230614 0.5660304 1.3038845 -0.7576753 1.2226670 0.7758585 0.9058845 0.0702320 1.2064786 16 Rh 1.1230614 -0.5660304 1.3038845 0.7576753 1.2226670 -0.7758585 0.9058845 -0.0702320 1.2064786 17 Rh 1.1230614 0.5660304 -1.3038845 -0.7576753 1.2226670 -0.7758585 -0.9058845 -0.0702320 1.2064786 18 Rh 1.1230614 -0.5660304 -1.3038845 0.7576753 1.2226670 0.7758585 -0.9058845 0.0702320 1.2064786 19 Rh 1.1230614 0.5660304 1.3038845 -0.7576753 1.2226670 0.7758585 0.9058845 0.0702320 1.2064786 20 Rh 1.1230614 -0.5660304 1.3038845 0.7576753 1.2226670 -0.7758585 0.9058845 -0.0702320 1.2064786 ---------------------------------------------------------------------------- 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: 962 Number of blocks in projector: 962 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: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 122 Use standard eigh solver. Tree of FC basis block matrices: - (962, 939), data: False |-- (122, 119), data: True |-- (122, 119), data: True |-- (122, 119), data: True |-- (196, 192), data: True |-- (196, 192), data: True |-- (204, 198), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 320 - Time: 0.190 Solver_block: 200 / 320 - Time: 0.190 Solver_block: 300 / 320 - Time: 0.191 Solver_block: 320 / 320 - Time: 0.061 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.645 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 962 Number of blocks in projector: 962 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: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 122 Use standard eigh solver. Tree of FC basis block matrices: - (962, 939), data: False |-- (122, 119), data: True |-- (122, 119), data: True |-- (122, 119), data: True |-- (196, 192), data: True |-- (196, 192), data: True |-- (204, 198), 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 18:56:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:56:43]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.225402890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.164533390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.348176940000000 Atomic positions (fractional): 1 O 0.00000000000000 0.04947748341611 0.75000000000000 15.999 2 O 0.50000000000000 0.45052251658389 0.25000000000000 15.999 3 O 0.00000000000000 0.95052251658389 0.25000000000000 15.999 4 O 0.50000000000000 0.54947748341611 0.75000000000000 15.999 5 O 0.84863084181561 0.60688879175381 0.61281583272525 15.999 6 O 0.15136915818439 0.60688879175381 0.88718416727475 15.999 7 O 0.65136915818439 0.89311120824619 0.11281583272525 15.999 8 O 0.34863084181561 0.89311120824619 0.38718416727475 15.999 9 O 0.15136915818439 0.39311120824619 0.38718416727475 15.999 10 O 0.84863084181561 0.39311120824619 0.11281583272525 15.999 11 O 0.34863084181561 0.10688879175381 0.88718416727475 15.999 12 O 0.65136915818439 0.10688879175381 0.61281583272525 15.999 13 Rh 0.10739707570260 0.74986312542975 0.53021871152138 102.906 14 Rh 0.89260292429740 0.74986312542975 0.96978128847862 102.906 15 Rh 0.39260292429740 0.75013687457025 0.03021871152138 102.906 16 Rh 0.60739707570260 0.75013687457025 0.46978128847862 102.906 17 Rh 0.89260292429740 0.25013687457025 0.46978128847862 102.906 18 Rh 0.10739707570260 0.25013687457025 0.03021871152138 102.906 19 Rh 0.60739707570260 0.24986312542975 0.96978128847862 102.906 20 Rh 0.39260292429740 0.24986312542975 0.53021871152138 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.225402890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.329066780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.696353880000000 Atomic positions (fractional): 1 O 0.00000000000000 0.02473874170806 0.37500000000000 15.999 > 1 2 O 0.00000000000000 0.52473874170806 0.37500000000000 15.999 > 1 3 O 0.00000000000000 0.02473874170806 0.87500000000000 15.999 > 1 4 O 0.00000000000000 0.52473874170806 0.87500000000000 15.999 > 1 5 O 0.50000000000000 0.22526125829194 0.12500000000000 15.999 > 5 6 O 0.50000000000000 0.72526125829194 0.12500000000000 15.999 > 5 7 O 0.50000000000000 0.22526125829194 0.62500000000000 15.999 > 5 8 O 0.50000000000000 0.72526125829194 0.62500000000000 15.999 > 5 9 O 0.00000000000000 0.47526125829194 0.12500000000000 15.999 > 9 10 O 0.00000000000000 0.97526125829194 0.12500000000000 15.999 > 9 11 O 0.00000000000000 0.47526125829194 0.62500000000000 15.999 > 9 12 O 0.00000000000000 0.97526125829194 0.62500000000000 15.999 > 9 13 O 0.50000000000000 0.27473874170806 0.37500000000000 15.999 > 13 14 O 0.50000000000000 0.77473874170806 0.37500000000000 15.999 > 13 15 O 0.50000000000000 0.27473874170806 0.87500000000000 15.999 > 13 16 O 0.50000000000000 0.77473874170806 0.87500000000000 15.999 > 13 17 O 0.84863084181561 0.30344439587691 0.30640791636262 15.999 > 17 18 O 0.84863084181561 0.80344439587691 0.30640791636262 15.999 > 17 19 O 0.84863084181561 0.30344439587691 0.80640791636262 15.999 > 17 20 O 0.84863084181561 0.80344439587691 0.80640791636262 15.999 > 17 21 O 0.15136915818439 0.30344439587691 0.44359208363738 15.999 > 21 22 O 0.15136915818439 0.80344439587691 0.44359208363738 15.999 > 21 23 O 0.15136915818439 0.30344439587691 0.94359208363738 15.999 > 21 24 O 0.15136915818439 0.80344439587691 0.94359208363738 15.999 > 21 25 O 0.65136915818439 0.44655560412309 0.05640791636262 15.999 > 25 26 O 0.65136915818439 0.94655560412309 0.05640791636262 15.999 > 25 27 O 0.65136915818439 0.44655560412309 0.55640791636262 15.999 > 25 28 O 0.65136915818439 0.94655560412309 0.55640791636262 15.999 > 25 29 O 0.34863084181561 0.44655560412309 0.19359208363738 15.999 > 29 30 O 0.34863084181561 0.94655560412309 0.19359208363738 15.999 > 29 31 O 0.34863084181561 0.44655560412309 0.69359208363738 15.999 > 29 32 O 0.34863084181561 0.94655560412309 0.69359208363738 15.999 > 29 33 O 0.15136915818439 0.19655560412309 0.19359208363738 15.999 > 33 34 O 0.15136915818439 0.69655560412309 0.19359208363738 15.999 > 33 35 O 0.15136915818439 0.19655560412309 0.69359208363738 15.999 > 33 36 O 0.15136915818439 0.69655560412309 0.69359208363738 15.999 > 33 37 O 0.84863084181561 0.19655560412309 0.05640791636262 15.999 > 37 38 O 0.84863084181561 0.69655560412309 0.05640791636262 15.999 > 37 39 O 0.84863084181561 0.19655560412309 0.55640791636262 15.999 > 37 40 O 0.84863084181561 0.69655560412309 0.55640791636262 15.999 > 37 41 O 0.34863084181561 0.05344439587691 0.44359208363738 15.999 > 41 42 O 0.34863084181561 0.55344439587691 0.44359208363738 15.999 > 41 43 O 0.34863084181561 0.05344439587691 0.94359208363738 15.999 > 41 44 O 0.34863084181561 0.55344439587691 0.94359208363738 15.999 > 41 45 O 0.65136915818439 0.05344439587691 0.30640791636262 15.999 > 45 46 O 0.65136915818439 0.55344439587691 0.30640791636262 15.999 > 45 47 O 0.65136915818439 0.05344439587691 0.80640791636262 15.999 > 45 48 O 0.65136915818439 0.55344439587691 0.80640791636262 15.999 > 45 49 Rh 0.10739707570260 0.37493156271487 0.26510935576069 102.906 > 49 50 Rh 0.10739707570260 0.87493156271488 0.26510935576069 102.906 > 49 51 Rh 0.10739707570260 0.37493156271487 0.76510935576069 102.906 > 49 52 Rh 0.10739707570260 0.87493156271488 0.76510935576069 102.906 > 49 53 Rh 0.89260292429740 0.37493156271487 0.48489064423931 102.906 > 53 54 Rh 0.89260292429740 0.87493156271488 0.48489064423931 102.906 > 53 55 Rh 0.89260292429740 0.37493156271487 0.98489064423931 102.906 > 53 56 Rh 0.89260292429740 0.87493156271488 0.98489064423931 102.906 > 53 57 Rh 0.39260292429740 0.37506843728513 0.01510935576069 102.906 > 57 58 Rh 0.39260292429740 0.87506843728512 0.01510935576069 102.906 > 57 59 Rh 0.39260292429740 0.37506843728513 0.51510935576069 102.906 > 57 60 Rh 0.39260292429740 0.87506843728512 0.51510935576069 102.906 > 57 61 Rh 0.60739707570260 0.37506843728513 0.23489064423931 102.906 > 61 62 Rh 0.60739707570260 0.87506843728512 0.23489064423931 102.906 > 61 63 Rh 0.60739707570260 0.37506843728513 0.73489064423931 102.906 > 61 64 Rh 0.60739707570260 0.87506843728512 0.73489064423931 102.906 > 61 65 Rh 0.89260292429740 0.12506843728513 0.23489064423931 102.906 > 65 66 Rh 0.89260292429740 0.62506843728512 0.23489064423931 102.906 > 65 67 Rh 0.89260292429740 0.12506843728513 0.73489064423931 102.906 > 65 68 Rh 0.89260292429740 0.62506843728512 0.73489064423931 102.906 > 65 69 Rh 0.10739707570260 0.12506843728513 0.01510935576069 102.906 > 69 70 Rh 0.10739707570260 0.62506843728512 0.01510935576069 102.906 > 69 71 Rh 0.10739707570260 0.12506843728513 0.51510935576069 102.906 > 69 72 Rh 0.10739707570260 0.62506843728512 0.51510935576069 102.906 > 69 73 Rh 0.60739707570260 0.12493156271488 0.48489064423931 102.906 > 73 74 Rh 0.60739707570260 0.62493156271488 0.48489064423931 102.906 > 73 75 Rh 0.60739707570260 0.12493156271488 0.98489064423931 102.906 > 73 76 Rh 0.60739707570260 0.62493156271488 0.98489064423931 102.906 > 73 77 Rh 0.39260292429740 0.12493156271488 0.26510935576069 102.906 > 77 78 Rh 0.39260292429740 0.62493156271488 0.26510935576069 102.906 > 77 79 Rh 0.39260292429740 0.12493156271488 0.76510935576069 102.906 > 77 80 Rh 0.39260292429740 0.62493156271488 0.76510935576069 102.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.9772182 0.0000000 0.0000000 0.0000000 21.3200253 0.0000000 0.0000000 0.0000000 22.5020545 -------------------------- Born effective charges -------------------------- 1 O 0.3226547 0.0000000 0.3084541 0.0000000 -1.3708189 0.0000000 0.0998476 0.0000000 -1.4156770 2 O 0.3226547 0.0000000 -0.3084541 0.0000000 -1.3708189 0.0000000 -0.0998476 0.0000000 -1.4156770 3 O 0.3226547 0.0000000 0.3084541 0.0000000 -1.3708189 0.0000000 0.0998476 0.0000000 -1.4156770 4 O 0.3226547 0.0000000 -0.3084541 0.0000000 -1.3708189 0.0000000 -0.0998476 0.0000000 -1.4156770 5 O -1.2843887 -0.3898060 0.1021446 -0.3457605 -0.5372576 -0.5414018 -0.2253286 -0.4664604 -0.4986401 6 O -1.2843887 0.3898060 0.1021446 0.3457605 -0.5372576 0.5414018 -0.2253286 0.4664604 -0.4986401 7 O -1.2843887 -0.3898060 -0.1021446 -0.3457605 -0.5372576 0.5414018 0.2253286 0.4664604 -0.4986401 8 O -1.2843887 0.3898060 -0.1021446 0.3457605 -0.5372576 -0.5414018 0.2253286 -0.4664604 -0.4986401 9 O -1.2843887 -0.3898060 0.1021446 -0.3457605 -0.5372576 -0.5414018 -0.2253286 -0.4664604 -0.4986401 10 O -1.2843887 0.3898060 0.1021446 0.3457605 -0.5372576 0.5414018 -0.2253286 0.4664604 -0.4986401 11 O -1.2843887 -0.3898060 -0.1021446 -0.3457605 -0.5372576 0.5414018 0.2253286 0.4664604 -0.4986401 12 O -1.2843887 0.3898060 -0.1021446 0.3457605 -0.5372576 -0.5414018 0.2253286 -0.4664604 -0.4986401 13 Rh 1.1230614 0.5660304 -1.3038845 -0.7576753 1.2226670 -0.7758585 -0.9058845 -0.0702320 1.2064786 14 Rh 1.1230614 -0.5660304 -1.3038845 0.7576753 1.2226670 0.7758585 -0.9058845 0.0702320 1.2064786 15 Rh 1.1230614 0.5660304 1.3038845 -0.7576753 1.2226670 0.7758585 0.9058845 0.0702320 1.2064786 16 Rh 1.1230614 -0.5660304 1.3038845 0.7576753 1.2226670 -0.7758585 0.9058845 -0.0702320 1.2064786 17 Rh 1.1230614 0.5660304 -1.3038845 -0.7576753 1.2226670 -0.7758585 -0.9058845 -0.0702320 1.2064786 18 Rh 1.1230614 -0.5660304 -1.3038845 0.7576753 1.2226670 0.7758585 -0.9058845 0.0702320 1.2064786 19 Rh 1.1230614 0.5660304 1.3038845 -0.7576753 1.2226670 0.7758585 0.9058845 0.0702320 1.2064786 20 Rh 1.1230614 -0.5660304 1.3038845 0.7576753 1.2226670 -0.7758585 0.9058845 -0.0702320 1.2064786 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000008 (yyy) -0.00000008 (yyy) -0.00000008 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000006 (zx) -0.00000006 (zx) 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 18:56:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:56:50]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.225402890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.164533390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.348176940000000 Atomic positions (fractional): 1 O 0.00000000000000 0.04947748341611 0.75000000000000 15.999 2 O 0.50000000000000 0.45052251658389 0.25000000000000 15.999 3 O 0.00000000000000 0.95052251658389 0.25000000000000 15.999 4 O 0.50000000000000 0.54947748341611 0.75000000000000 15.999 5 O 0.84863084181561 0.60688879175381 0.61281583272525 15.999 6 O 0.15136915818439 0.60688879175381 0.88718416727475 15.999 7 O 0.65136915818439 0.89311120824619 0.11281583272525 15.999 8 O 0.34863084181561 0.89311120824619 0.38718416727475 15.999 9 O 0.15136915818439 0.39311120824619 0.38718416727475 15.999 10 O 0.84863084181561 0.39311120824619 0.11281583272525 15.999 11 O 0.34863084181561 0.10688879175381 0.88718416727475 15.999 12 O 0.65136915818439 0.10688879175381 0.61281583272525 15.999 13 Rh 0.10739707570260 0.74986312542975 0.53021871152138 102.906 14 Rh 0.89260292429740 0.74986312542975 0.96978128847862 102.906 15 Rh 0.39260292429740 0.75013687457025 0.03021871152138 102.906 16 Rh 0.60739707570260 0.75013687457025 0.46978128847862 102.906 17 Rh 0.89260292429740 0.25013687457025 0.46978128847862 102.906 18 Rh 0.10739707570260 0.25013687457025 0.03021871152138 102.906 19 Rh 0.60739707570260 0.24986312542975 0.96978128847862 102.906 20 Rh 0.39260292429740 0.24986312542975 0.53021871152138 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.225402890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.329066780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.696353880000000 Atomic positions (fractional): 1 O 0.00000000000000 0.02473874170806 0.37500000000000 15.999 > 1 2 O 0.00000000000000 0.52473874170806 0.37500000000000 15.999 > 1 3 O 0.00000000000000 0.02473874170806 0.87500000000000 15.999 > 1 4 O 0.00000000000000 0.52473874170806 0.87500000000000 15.999 > 1 5 O 0.50000000000000 0.22526125829194 0.12500000000000 15.999 > 5 6 O 0.50000000000000 0.72526125829194 0.12500000000000 15.999 > 5 7 O 0.50000000000000 0.22526125829194 0.62500000000000 15.999 > 5 8 O 0.50000000000000 0.72526125829194 0.62500000000000 15.999 > 5 9 O 0.00000000000000 0.47526125829194 0.12500000000000 15.999 > 9 10 O 0.00000000000000 0.97526125829194 0.12500000000000 15.999 > 9 11 O 0.00000000000000 0.47526125829194 0.62500000000000 15.999 > 9 12 O 0.00000000000000 0.97526125829194 0.62500000000000 15.999 > 9 13 O 0.50000000000000 0.27473874170806 0.37500000000000 15.999 > 13 14 O 0.50000000000000 0.77473874170806 0.37500000000000 15.999 > 13 15 O 0.50000000000000 0.27473874170806 0.87500000000000 15.999 > 13 16 O 0.50000000000000 0.77473874170806 0.87500000000000 15.999 > 13 17 O 0.84863084181561 0.30344439587691 0.30640791636262 15.999 > 17 18 O 0.84863084181561 0.80344439587691 0.30640791636262 15.999 > 17 19 O 0.84863084181561 0.30344439587691 0.80640791636262 15.999 > 17 20 O 0.84863084181561 0.80344439587691 0.80640791636262 15.999 > 17 21 O 0.15136915818439 0.30344439587691 0.44359208363738 15.999 > 21 22 O 0.15136915818439 0.80344439587691 0.44359208363738 15.999 > 21 23 O 0.15136915818439 0.30344439587691 0.94359208363738 15.999 > 21 24 O 0.15136915818439 0.80344439587691 0.94359208363738 15.999 > 21 25 O 0.65136915818439 0.44655560412309 0.05640791636262 15.999 > 25 26 O 0.65136915818439 0.94655560412309 0.05640791636262 15.999 > 25 27 O 0.65136915818439 0.44655560412309 0.55640791636262 15.999 > 25 28 O 0.65136915818439 0.94655560412309 0.55640791636262 15.999 > 25 29 O 0.34863084181561 0.44655560412309 0.19359208363738 15.999 > 29 30 O 0.34863084181561 0.94655560412309 0.19359208363738 15.999 > 29 31 O 0.34863084181561 0.44655560412309 0.69359208363738 15.999 > 29 32 O 0.34863084181561 0.94655560412309 0.69359208363738 15.999 > 29 33 O 0.15136915818439 0.19655560412309 0.19359208363738 15.999 > 33 34 O 0.15136915818439 0.69655560412309 0.19359208363738 15.999 > 33 35 O 0.15136915818439 0.19655560412309 0.69359208363738 15.999 > 33 36 O 0.15136915818439 0.69655560412309 0.69359208363738 15.999 > 33 37 O 0.84863084181561 0.19655560412309 0.05640791636262 15.999 > 37 38 O 0.84863084181561 0.69655560412309 0.05640791636262 15.999 > 37 39 O 0.84863084181561 0.19655560412309 0.55640791636262 15.999 > 37 40 O 0.84863084181561 0.69655560412309 0.55640791636262 15.999 > 37 41 O 0.34863084181561 0.05344439587691 0.44359208363738 15.999 > 41 42 O 0.34863084181561 0.55344439587691 0.44359208363738 15.999 > 41 43 O 0.34863084181561 0.05344439587691 0.94359208363738 15.999 > 41 44 O 0.34863084181561 0.55344439587691 0.94359208363738 15.999 > 41 45 O 0.65136915818439 0.05344439587691 0.30640791636262 15.999 > 45 46 O 0.65136915818439 0.55344439587691 0.30640791636262 15.999 > 45 47 O 0.65136915818439 0.05344439587691 0.80640791636262 15.999 > 45 48 O 0.65136915818439 0.55344439587691 0.80640791636262 15.999 > 45 49 Rh 0.10739707570260 0.37493156271487 0.26510935576069 102.906 > 49 50 Rh 0.10739707570260 0.87493156271488 0.26510935576069 102.906 > 49 51 Rh 0.10739707570260 0.37493156271487 0.76510935576069 102.906 > 49 52 Rh 0.10739707570260 0.87493156271488 0.76510935576069 102.906 > 49 53 Rh 0.89260292429740 0.37493156271487 0.48489064423931 102.906 > 53 54 Rh 0.89260292429740 0.87493156271488 0.48489064423931 102.906 > 53 55 Rh 0.89260292429740 0.37493156271487 0.98489064423931 102.906 > 53 56 Rh 0.89260292429740 0.87493156271488 0.98489064423931 102.906 > 53 57 Rh 0.39260292429740 0.37506843728513 0.01510935576069 102.906 > 57 58 Rh 0.39260292429740 0.87506843728512 0.01510935576069 102.906 > 57 59 Rh 0.39260292429740 0.37506843728513 0.51510935576069 102.906 > 57 60 Rh 0.39260292429740 0.87506843728512 0.51510935576069 102.906 > 57 61 Rh 0.60739707570260 0.37506843728513 0.23489064423931 102.906 > 61 62 Rh 0.60739707570260 0.87506843728512 0.23489064423931 102.906 > 61 63 Rh 0.60739707570260 0.37506843728513 0.73489064423931 102.906 > 61 64 Rh 0.60739707570260 0.87506843728512 0.73489064423931 102.906 > 61 65 Rh 0.89260292429740 0.12506843728513 0.23489064423931 102.906 > 65 66 Rh 0.89260292429740 0.62506843728512 0.23489064423931 102.906 > 65 67 Rh 0.89260292429740 0.12506843728513 0.73489064423931 102.906 > 65 68 Rh 0.89260292429740 0.62506843728512 0.73489064423931 102.906 > 65 69 Rh 0.10739707570260 0.12506843728513 0.01510935576069 102.906 > 69 70 Rh 0.10739707570260 0.62506843728512 0.01510935576069 102.906 > 69 71 Rh 0.10739707570260 0.12506843728513 0.51510935576069 102.906 > 69 72 Rh 0.10739707570260 0.62506843728512 0.51510935576069 102.906 > 69 73 Rh 0.60739707570260 0.12493156271488 0.48489064423931 102.906 > 73 74 Rh 0.60739707570260 0.62493156271488 0.48489064423931 102.906 > 73 75 Rh 0.60739707570260 0.12493156271488 0.98489064423931 102.906 > 73 76 Rh 0.60739707570260 0.62493156271488 0.98489064423931 102.906 > 73 77 Rh 0.39260292429740 0.12493156271488 0.26510935576069 102.906 > 77 78 Rh 0.39260292429740 0.62493156271488 0.26510935576069 102.906 > 77 79 Rh 0.39260292429740 0.12493156271488 0.76510935576069 102.906 > 77 80 Rh 0.39260292429740 0.62493156271488 0.76510935576069 102.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 17.9772182 0.0000000 0.0000000 0.0000000 21.3200253 0.0000000 0.0000000 0.0000000 22.5020545 -------------------------- Born effective charges -------------------------- 1 O 0.3226547 0.0000000 0.3084541 0.0000000 -1.3708189 0.0000000 0.0998476 0.0000000 -1.4156770 2 O 0.3226547 0.0000000 -0.3084541 0.0000000 -1.3708189 0.0000000 -0.0998476 0.0000000 -1.4156770 3 O 0.3226547 0.0000000 0.3084541 0.0000000 -1.3708189 0.0000000 0.0998476 0.0000000 -1.4156770 4 O 0.3226547 0.0000000 -0.3084541 0.0000000 -1.3708189 0.0000000 -0.0998476 0.0000000 -1.4156770 5 O -1.2843887 -0.3898060 0.1021446 -0.3457605 -0.5372576 -0.5414018 -0.2253286 -0.4664604 -0.4986401 6 O -1.2843887 0.3898060 0.1021446 0.3457605 -0.5372576 0.5414018 -0.2253286 0.4664604 -0.4986401 7 O -1.2843887 -0.3898060 -0.1021446 -0.3457605 -0.5372576 0.5414018 0.2253286 0.4664604 -0.4986401 8 O -1.2843887 0.3898060 -0.1021446 0.3457605 -0.5372576 -0.5414018 0.2253286 -0.4664604 -0.4986401 9 O -1.2843887 -0.3898060 0.1021446 -0.3457605 -0.5372576 -0.5414018 -0.2253286 -0.4664604 -0.4986401 10 O -1.2843887 0.3898060 0.1021446 0.3457605 -0.5372576 0.5414018 -0.2253286 0.4664604 -0.4986401 11 O -1.2843887 -0.3898060 -0.1021446 -0.3457605 -0.5372576 0.5414018 0.2253286 0.4664604 -0.4986401 12 O -1.2843887 0.3898060 -0.1021446 0.3457605 -0.5372576 -0.5414018 0.2253286 -0.4664604 -0.4986401 13 Rh 1.1230614 0.5660304 -1.3038845 -0.7576753 1.2226670 -0.7758585 -0.9058845 -0.0702320 1.2064786 14 Rh 1.1230614 -0.5660304 -1.3038845 0.7576753 1.2226670 0.7758585 -0.9058845 0.0702320 1.2064786 15 Rh 1.1230614 0.5660304 1.3038845 -0.7576753 1.2226670 0.7758585 0.9058845 0.0702320 1.2064786 16 Rh 1.1230614 -0.5660304 1.3038845 0.7576753 1.2226670 -0.7758585 0.9058845 -0.0702320 1.2064786 17 Rh 1.1230614 0.5660304 -1.3038845 -0.7576753 1.2226670 -0.7758585 -0.9058845 -0.0702320 1.2064786 18 Rh 1.1230614 -0.5660304 -1.3038845 0.7576753 1.2226670 0.7758585 -0.9058845 0.0702320 1.2064786 19 Rh 1.1230614 0.5660304 1.3038845 -0.7576753 1.2226670 0.7758585 0.9058845 0.0702320 1.2064786 20 Rh 1.1230614 -0.5660304 1.3038845 0.7576753 1.2226670 -0.7758585 0.9058845 -0.0702320 1.2064786 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (yyy) -0.00000008 (yyy) -0.00000008 (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 ... [ 7 10 9 ] 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: 0.71, Number of G-points: 307, Lambda: 0.34 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 4.046 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.371 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.450 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.567 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 12.599 ( 0.000 0.000 0.000) 0.000 12.616 ( 0.000 0.000 0.000) 0.000 12.930 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.563 ( 0.000 0.000 0.000) 0.000 13.746 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 14.421 ( 0.000 0.000 0.000) 0.000 14.595 ( 0.000 0.000 0.000) 0.000 14.913 ( 0.000 0.000 0.000) 0.000 15.364 ( 0.000 0.000 0.000) 0.000 15.589 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 15.889 ( 0.000 0.000 0.000) 0.000 16.152 ( 0.000 0.000 0.000) 0.000 16.313 ( 0.000 0.000 0.000) 0.000 16.368 ( 0.000 0.000 0.000) 0.000 16.482 ( 0.000 0.000 0.000) 0.000 16.578 ( 0.000 0.000 0.000) 0.000 16.589 ( 0.000 0.000 0.000) 0.000 16.698 ( 0.000 0.000 0.000) 0.000 16.755 ( 0.000 0.000 0.000) 0.000 16.808 ( 0.000 0.000 0.000) 0.000 17.107 ( 0.000 0.000 0.000) 0.000 17.245 ( 0.000 0.000 0.000) 0.000 17.355 ( 0.000 0.000 0.000) 0.000 17.425 ( 0.000 0.000 0.000) 0.000 17.477 ( 0.000 0.000 0.000) 0.000 17.604 ( 0.000 0.000 0.000) 0.000 17.626 ( 0.000 0.000 0.000) 0.000 17.804 ( 0.000 0.000 0.000) 0.000 18.455 ( 0.000 0.000 0.000) 0.000 19.301 ( 0.000 0.000 0.000) 0.000 19.329 ( 0.000 0.000 0.000) 0.000 19.455 ( 0.000 0.000 0.000) 0.000 19.509 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.14 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| 0.649 ( 33.152 0.000 0.000) 33.152 0.668 ( 33.907 0.000 0.000) 33.907 1.436 ( 71.467 0.000 0.000) 71.467 3.923 ( -22.189 0.000 0.000) 22.189 4.108 ( -27.330 0.000 0.000) 27.330 5.359 ( 7.500 0.000 0.000) 7.500 5.649 ( 2.317 0.000 0.000) 2.317 5.686 ( 3.576 0.000 0.000) 3.576 5.855 ( 10.185 0.000 0.000) 10.185 6.396 ( -17.204 0.000 0.000) 17.204 6.445 ( 20.669 0.000 0.000) 20.669 6.548 ( 15.686 0.000 0.000) 15.686 6.856 ( -11.145 0.000 0.000) 11.145 7.094 ( -2.378 0.000 0.000) 2.378 7.488 ( -7.972 0.000 0.000) 7.972 7.560 ( -5.749 0.000 0.000) 5.749 7.830 ( -2.689 0.000 0.000) 2.689 7.920 ( 2.181 0.000 0.000) 2.181 8.170 ( -5.348 0.000 0.000) 5.348 8.410 ( -3.946 0.000 0.000) 3.946 8.567 ( 0.075 0.000 0.000) 0.075 8.568 ( 7.633 0.000 0.000) 7.633 8.827 ( -3.403 0.000 0.000) 3.403 9.376 ( -2.963 0.000 0.000) 2.963 12.638 ( 3.699 0.000 0.000) 3.699 12.662 ( 4.353 0.000 0.000) 4.353 12.942 ( 0.884 0.000 0.000) 0.884 13.045 ( 0.798 0.000 0.000) 0.798 13.681 ( 9.644 0.000 0.000) 9.644 13.833 ( 5.352 0.000 0.000) 5.352 13.960 ( 10.918 0.000 0.000) 10.918 14.382 ( -3.883 0.000 0.000) 3.883 14.597 ( 0.483 0.000 0.000) 0.483 14.904 ( -1.083 0.000 0.000) 1.083 15.296 ( -6.773 0.000 0.000) 6.773 15.638 ( -6.036 0.000 0.000) 6.036 15.669 ( 6.372 0.000 0.000) 6.372 15.900 ( 1.513 0.000 0.000) 1.513 16.187 ( 3.509 0.000 0.000) 3.509 16.335 ( -3.299 0.000 0.000) 3.299 16.417 ( 9.542 0.000 0.000) 9.542 16.443 ( -3.734 0.000 0.000) 3.734 16.600 ( 1.210 0.000 0.000) 1.210 16.613 ( -6.468 0.000 0.000) 6.468 16.750 ( -0.540 0.000 0.000) 0.540 16.756 ( -4.923 0.000 0.000) 4.923 16.988 ( 4.860 0.000 0.000) 4.860 17.155 ( 4.483 0.000 0.000) 4.483 17.253 ( 0.933 0.000 0.000) 0.933 17.337 ( -3.287 0.000 0.000) 3.287 17.380 ( -4.316 0.000 0.000) 4.316 17.396 ( -6.276 0.000 0.000) 6.276 17.596 ( -0.910 0.000 0.000) 0.910 17.647 ( 2.135 0.000 0.000) 2.135 17.777 ( -2.882 0.000 0.000) 2.882 18.393 ( -6.096 0.000 0.000) 6.096 19.319 ( 1.043 0.000 0.000) 1.043 19.336 ( 0.764 0.000 0.000) 0.764 19.452 ( -0.324 0.000 0.000) 0.324 19.498 ( -1.086 0.000 0.000) 1.086 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.29 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| 1.316 ( 34.474 0.000 0.000) 34.474 1.343 ( 34.333 0.000 0.000) 34.333 2.802 ( 65.972 0.000 0.000) 65.972 3.375 ( -31.329 0.000 0.000) 31.329 3.465 ( -35.703 0.000 0.000) 35.703 5.540 ( 9.973 0.000 0.000) 9.973 5.708 ( 3.258 0.000 0.000) 3.258 5.755 ( -4.957 0.000 0.000) 4.957 5.937 ( -20.475 0.000 0.000) 20.475 6.142 ( 17.935 0.000 0.000) 17.935 6.571 ( -15.109 0.000 0.000) 15.109 6.859 ( 16.119 0.000 0.000) 16.119 6.923 ( 19.167 0.000 0.000) 19.167 7.085 ( 5.751 0.000 0.000) 5.751 7.261 ( -14.686 0.000 0.000) 14.686 7.396 ( -10.474 0.000 0.000) 10.474 7.740 ( -6.614 0.000 0.000) 6.614 7.974 ( 3.305 0.000 0.000) 3.305 8.012 ( -10.561 0.000 0.000) 10.561 8.304 ( -6.389 0.000 0.000) 6.389 8.574 ( 0.779 0.000 0.000) 0.779 8.744 ( -4.547 0.000 0.000) 4.547 8.756 ( 10.606 0.000 0.000) 10.606 9.289 ( -5.796 0.000 0.000) 5.796 12.730 ( 5.041 0.000 0.000) 5.041 12.763 ( 5.060 0.000 0.000) 5.060 12.982 ( 2.887 0.000 0.000) 2.887 13.062 ( 0.789 0.000 0.000) 0.789 13.821 ( 5.383 0.000 0.000) 5.383 14.083 ( 17.798 0.000 0.000) 17.798 14.252 ( 17.607 0.000 0.000) 17.607 14.271 ( -7.162 0.000 0.000) 7.162 14.637 ( 4.427 0.000 0.000) 4.427 14.857 ( -4.136 0.000 0.000) 4.136 15.111 ( -11.417 0.000 0.000) 11.417 15.455 ( -12.586 0.000 0.000) 12.586 15.832 ( 9.221 0.000 0.000) 9.221 15.960 ( 4.557 0.000 0.000) 4.557 16.242 ( -5.822 0.000 0.000) 5.822 16.291 ( 7.071 0.000 0.000) 7.071 16.344 ( -6.083 0.000 0.000) 6.083 16.500 ( -3.957 0.000 0.000) 3.957 16.605 ( 4.378 0.000 0.000) 4.378 16.633 ( -6.972 0.000 0.000) 6.972 16.678 ( 10.654 0.000 0.000) 10.654 16.731 ( -1.328 0.000 0.000) 1.328 17.095 ( 5.857 0.000 0.000) 5.857 17.135 ( -14.330 0.000 0.000) 14.330 17.263 ( 6.060 0.000 0.000) 6.060 17.265 ( -7.003 0.000 0.000) 7.003 17.290 ( 3.067 0.000 0.000) 3.067 17.339 ( -1.759 0.000 0.000) 1.759 17.562 ( -2.625 0.000 0.000) 2.625 17.686 ( -6.203 0.000 0.000) 6.203 17.711 ( 4.337 0.000 0.000) 4.337 18.226 ( -10.362 0.000 0.000) 10.362 19.347 ( 1.736 0.000 0.000) 1.736 19.358 ( 1.412 0.000 0.000) 1.412 19.441 ( -0.857 0.000 0.000) 0.857 19.469 ( -1.808 0.000 0.000) 1.808 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.43 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| 2.014 ( 36.095 0.000 0.000) 36.095 2.026 ( 34.746 0.000 0.000) 34.746 2.712 ( -34.388 0.000 0.000) 34.388 2.740 ( -37.080 0.000 0.000) 37.080 4.039 ( 57.896 0.000 0.000) 57.896 5.076 ( -46.408 0.000 0.000) 46.408 5.708 ( 5.900 0.000 0.000) 5.900 5.755 ( 0.767 0.000 0.000) 0.767 6.013 ( 11.192 0.000 0.000) 11.192 6.271 ( -14.546 0.000 0.000) 14.546 6.528 ( 20.361 0.000 0.000) 20.361 6.923 ( -19.031 0.000 0.000) 19.031 7.003 ( 5.648 0.000 0.000) 5.648 7.173 ( -11.004 0.000 0.000) 11.004 7.283 ( 16.499 0.000 0.000) 16.499 7.402 ( 19.465 0.000 0.000) 19.465 7.561 ( -11.548 0.000 0.000) 11.548 7.753 ( -15.575 0.000 0.000) 15.575 8.056 ( 5.057 0.000 0.000) 5.057 8.172 ( -6.572 0.000 0.000) 6.572 8.602 ( 2.143 0.000 0.000) 2.143 8.660 ( -3.692 0.000 0.000) 3.692 8.965 ( 10.186 0.000 0.000) 10.186 9.149 ( -8.315 0.000 0.000) 8.315 12.815 ( 3.042 0.000 0.000) 3.042 12.833 ( 1.456 0.000 0.000) 1.456 13.039 ( 2.422 0.000 0.000) 2.422 13.067 ( -0.466 0.000 0.000) 0.466 13.946 ( 7.518 0.000 0.000) 7.518 14.110 ( -8.705 0.000 0.000) 8.705 14.441 ( 17.044 0.000 0.000) 17.044 14.595 ( 15.371 0.000 0.000) 15.371 14.718 ( -10.458 0.000 0.000) 10.458 14.813 ( 14.218 0.000 0.000) 14.218 14.865 ( -12.967 0.000 0.000) 12.967 15.150 ( -17.577 0.000 0.000) 17.577 15.996 ( 6.922 0.000 0.000) 6.922 16.073 ( 6.669 0.000 0.000) 6.669 16.120 ( -6.159 0.000 0.000) 6.159 16.212 ( -7.064 0.000 0.000) 7.064 16.422 ( 3.569 0.000 0.000) 3.569 16.504 ( -5.543 0.000 0.000) 5.543 16.539 ( 10.741 0.000 0.000) 10.741 16.657 ( 2.205 0.000 0.000) 2.205 16.698 ( -1.954 0.000 0.000) 1.954 16.825 ( -16.189 0.000 0.000) 16.189 16.915 ( 11.278 0.000 0.000) 11.278 17.110 ( -8.680 0.000 0.000) 8.680 17.209 ( 5.321 0.000 0.000) 5.321 17.293 ( -3.136 0.000 0.000) 3.136 17.378 ( 5.583 0.000 0.000) 5.583 17.392 ( 7.102 0.000 0.000) 7.102 17.488 ( -4.913 0.000 0.000) 4.913 17.543 ( -7.887 0.000 0.000) 7.887 17.825 ( 7.488 0.000 0.000) 7.488 18.009 ( -10.796 0.000 0.000) 10.796 19.384 ( 1.870 0.000 0.000) 1.870 19.391 ( 1.864 0.000 0.000) 1.864 19.418 ( -1.485 0.000 0.000) 1.485 19.430 ( -2.037 0.000 0.000) 2.037 ======================= Grid point 7 (5/120) ======================= q-point: ( 0.00 0.10 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 33.761 0.000) 33.761 0.833 ( 0.000 42.754 0.000) 42.754 1.358 ( 0.000 69.909 0.000) 69.909 4.142 ( 0.000 9.660 0.000) 9.660 4.532 ( 0.000 11.711 0.000) 11.711 5.142 ( 0.000 -12.303 0.000) 12.303 5.558 ( 0.000 -6.869 0.000) 6.869 5.718 ( 0.000 4.755 0.000) 4.755 5.808 ( 0.000 5.040 0.000) 5.040 6.029 ( 0.000 -9.416 0.000) 9.416 6.416 ( 0.000 4.509 0.000) 4.509 6.804 ( 0.000 15.130 0.000) 15.130 6.843 ( 0.000 -11.729 0.000) 11.729 7.069 ( 0.000 -3.569 0.000) 3.569 7.479 ( 0.000 -11.353 0.000) 11.353 7.712 ( 0.000 8.125 0.000) 8.125 7.893 ( 0.000 3.839 0.000) 3.839 7.898 ( 0.000 -1.559 0.000) 1.559 8.122 ( 0.000 -9.951 0.000) 9.951 8.441 ( 0.000 -0.988 0.000) 0.988 8.515 ( 0.000 -5.201 0.000) 5.201 8.537 ( 0.000 4.756 0.000) 4.756 8.861 ( 0.000 -2.473 0.000) 2.473 9.283 ( 0.000 -12.615 0.000) 12.615 12.633 ( 0.000 3.468 0.000) 3.468 12.638 ( 0.000 2.265 0.000) 2.265 12.994 ( 0.000 6.198 0.000) 6.198 13.083 ( 0.000 4.635 0.000) 4.635 13.575 ( 0.000 1.348 0.000) 1.348 13.788 ( 0.000 -4.627 0.000) 4.627 13.806 ( 0.000 5.950 0.000) 5.950 14.566 ( 0.000 13.262 0.000) 13.262 14.573 ( 0.000 -1.847 0.000) 1.847 14.991 ( 0.000 7.341 0.000) 7.341 15.401 ( 0.000 -3.283 0.000) 3.283 15.528 ( 0.000 -5.346 0.000) 5.346 15.704 ( 0.000 0.396 0.000) 0.396 15.872 ( 0.000 -1.664 0.000) 1.664 16.103 ( 0.000 -4.303 0.000) 4.303 16.109 ( 0.000 -13.242 0.000) 13.242 16.483 ( 0.000 3.356 0.000) 3.356 16.495 ( 0.000 1.472 0.000) 1.472 16.600 ( 0.000 2.031 0.000) 2.031 16.625 ( 0.000 4.209 0.000) 4.209 16.660 ( 0.000 -2.532 0.000) 2.532 16.780 ( 0.000 -2.955 0.000) 2.955 16.854 ( 0.000 3.775 0.000) 3.775 17.110 ( 0.000 0.872 0.000) 0.872 17.216 ( 0.000 -2.899 0.000) 2.899 17.327 ( 0.000 -2.616 0.000) 2.616 17.407 ( 0.000 -1.849 0.000) 1.849 17.538 ( 0.000 5.890 0.000) 5.890 17.611 ( 0.000 0.100 0.000) 0.100 17.635 ( 0.000 0.916 0.000) 0.916 17.770 ( 0.000 -3.325 0.000) 3.325 18.598 ( 0.000 -2.014 0.000) 2.014 19.262 ( 0.000 -3.843 0.000) 3.843 19.337 ( 0.000 0.501 0.000) 0.501 19.432 ( 0.000 -2.108 0.000) 2.108 19.512 ( 0.000 0.267 0.000) 0.267 ======================= Grid point 8 (6/120) ======================= q-point: ( 0.14 0.10 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 21.220 33.364 0.000) 39.540 1.189 ( 28.349 32.395 0.000) 43.048 1.821 ( 49.094 42.441 0.000) 64.896 3.965 ( -18.692 7.306 0.000) 20.069 4.224 ( -26.688 11.561 0.000) 29.085 5.243 ( 8.691 -10.778 0.000) 13.846 5.584 ( 2.460 -6.727 0.000) 7.163 5.729 ( 1.559 3.947 0.000) 4.244 5.914 ( 10.442 4.026 0.000) 11.191 6.168 ( 6.106 -7.716 0.000) 9.840 6.583 ( 14.891 3.743 0.000) 15.354 6.736 ( -9.538 -10.403 0.000) 14.113 6.743 ( -2.260 15.052 0.000) 15.221 7.030 ( -3.200 -5.135 0.000) 6.050 7.422 ( -5.511 -9.085 0.000) 10.625 7.639 ( -7.599 8.332 0.000) 11.277 7.871 ( -2.472 4.003 0.000) 4.705 7.885 ( -1.490 -5.140 0.000) 5.351 8.091 ( -2.414 -6.631 0.000) 7.057 8.404 ( -3.657 -0.612 0.000) 3.708 8.518 ( 0.427 -4.890 0.000) 4.909 8.596 ( 5.829 2.759 0.000) 6.449 8.817 ( -3.854 -1.842 0.000) 4.271 9.258 ( -2.490 -12.142 0.000) 12.395 12.671 ( 3.608 3.380 0.000) 4.943 12.683 ( 4.229 2.155 0.000) 4.747 12.997 ( 0.611 5.356 0.000) 5.391 13.093 ( 0.932 4.743 0.000) 4.833 13.705 ( 10.929 2.611 0.000) 11.237 13.861 ( 5.737 4.071 0.000) 7.034 13.890 ( 9.805 -4.991 0.000) 11.002 14.527 ( -3.009 10.951 0.000) 11.357 14.582 ( 0.559 0.663 0.000) 0.867 14.979 ( -1.283 7.146 0.000) 7.261 15.293 ( -8.077 -1.855 0.000) 8.287 15.584 ( 0.176 -4.511 0.000) 4.515 15.682 ( 1.007 0.508 0.000) 1.128 15.882 ( 1.462 -1.819 0.000) 2.334 16.121 ( 2.225 -5.579 0.000) 6.006 16.157 ( 3.289 -12.379 0.000) 12.808 16.497 ( -2.150 4.097 0.000) 4.627 16.499 ( 2.115 2.469 0.000) 3.251 16.518 ( -4.342 -3.832 0.000) 5.791 16.602 ( 0.026 0.360 0.000) 0.361 16.739 ( -3.433 -1.492 0.000) 3.743 16.832 ( -1.971 4.260 0.000) 4.694 16.873 ( 10.913 -4.666 0.000) 11.869 17.137 ( 3.112 -0.437 0.000) 3.142 17.226 ( 1.133 -2.742 0.000) 2.967 17.317 ( -1.381 -2.256 0.000) 2.645 17.368 ( -3.827 -1.594 0.000) 4.146 17.452 ( -7.836 5.667 0.000) 9.670 17.605 ( -0.604 0.612 0.000) 0.860 17.649 ( 1.691 -0.006 0.000) 1.691 17.754 ( -2.085 -1.992 0.000) 2.884 18.468 ( -10.012 2.192 0.000) 10.250 19.275 ( 1.159 -4.055 0.000) 4.217 19.342 ( 0.502 0.190 0.000) 0.537 19.430 ( -0.150 -1.880 0.000) 1.886 19.504 ( -0.877 0.431 0.000) 0.977 ======================= Grid point 9 (7/120) ======================= q-point: ( 0.29 0.10 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 29.139 22.565 0.000) 36.854 1.706 ( 27.030 33.371 0.000) 42.945 2.977 ( 61.192 18.641 0.000) 63.968 3.466 ( -29.599 9.636 0.000) 31.128 3.610 ( -33.603 14.331 0.000) 36.532 5.448 ( 10.994 -8.877 0.000) 14.130 5.646 ( 3.513 -6.294 0.000) 7.208 5.772 ( -3.724 2.011 0.000) 4.232 5.920 ( -15.366 -0.604 0.000) 15.378 6.260 ( 15.959 10.154 0.000) 18.915 6.483 ( -13.893 -7.900 0.000) 15.982 6.854 ( 6.473 -2.559 0.000) 6.960 6.945 ( 18.780 2.437 0.000) 18.938 7.021 ( 7.519 -4.103 0.000) 8.565 7.259 ( -10.938 -5.972 0.000) 12.462 7.421 ( -14.001 6.744 0.000) 15.540 7.787 ( -6.103 4.393 0.000) 7.519 7.818 ( -5.891 -11.443 0.000) 12.870 8.061 ( -0.033 1.046 0.000) 1.046 8.306 ( -5.845 0.226 0.000) 5.849 8.534 ( 1.235 -4.067 0.000) 4.251 8.716 ( -1.797 -2.332 0.000) 2.944 8.755 ( 5.397 -1.092 0.000) 5.506 9.185 ( -4.860 -10.735 0.000) 11.784 12.759 ( 4.783 3.068 0.000) 5.682 12.781 ( 4.916 1.927 0.000) 5.280 13.031 ( 2.767 4.807 0.000) 5.546 13.114 ( 0.989 5.020 0.000) 5.116 13.867 ( 5.772 4.817 0.000) 7.518 14.112 ( 18.221 3.062 0.000) 18.477 14.116 ( 9.573 -5.332 0.000) 10.958 14.480 ( 0.603 12.426 0.000) 12.440 14.620 ( 4.145 -1.122 0.000) 4.294 14.928 ( -4.352 6.684 0.000) 7.976 15.102 ( -11.101 -1.186 0.000) 11.164 15.439 ( -12.147 -1.457 0.000) 12.234 15.812 ( 8.715 -1.988 0.000) 8.938 15.940 ( 4.282 -1.959 0.000) 4.709 16.174 ( -1.963 -6.980 0.000) 7.251 16.183 ( 3.434 -7.943 0.000) 8.654 16.400 ( -5.070 1.573 0.000) 5.309 16.480 ( -0.369 0.893 0.000) 0.966 16.537 ( -2.933 -6.159 0.000) 6.822 16.597 ( 2.299 -1.247 0.000) 2.616 16.716 ( 2.756 1.766 0.000) 3.274 16.786 ( -2.530 3.903 0.000) 4.652 17.034 ( 5.711 -4.373 0.000) 7.193 17.196 ( -11.517 3.954 0.000) 12.176 17.216 ( 2.240 -3.444 0.000) 4.109 17.264 ( 2.377 -2.702 0.000) 3.599 17.285 ( -1.686 0.479 0.000) 1.753 17.340 ( -1.378 1.149 0.000) 1.794 17.582 ( -1.900 1.717 0.000) 2.561 17.676 ( -4.819 -0.832 0.000) 4.891 17.708 ( 3.450 -0.220 0.000) 3.457 18.249 ( -11.921 1.391 0.000) 12.002 19.304 ( 1.667 -4.071 0.000) 4.399 19.354 ( 0.607 -1.010 0.000) 1.178 19.426 ( -0.211 -0.914 0.000) 0.938 19.480 ( -1.460 0.865 0.000) 1.697 ======================= Grid point 10 (8/120) ======================= q-point: ( 0.43 0.10 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 31.694 16.104 0.000) 35.551 2.280 ( 30.583 25.108 0.000) 39.570 2.842 ( -31.955 13.145 0.000) 34.553 2.939 ( -33.483 19.370 0.000) 38.683 4.147 ( 55.624 11.278 0.000) 56.756 5.142 ( -44.070 6.778 0.000) 44.588 5.644 ( 6.601 -6.330 0.000) 9.146 5.698 ( 0.830 -5.821 0.000) 5.880 5.983 ( 9.491 -2.108 0.000) 9.722 6.210 ( -13.108 -5.293 0.000) 14.136 6.634 ( 19.878 9.398 0.000) 21.987 6.923 ( 5.361 -8.464 0.000) 10.019 6.997 ( -15.762 2.713 0.000) 15.994 7.122 ( -14.344 -2.040 0.000) 14.489 7.281 ( 13.564 -0.393 0.000) 13.570 7.291 ( 13.178 -7.992 0.000) 15.412 7.635 ( -8.191 5.002 0.000) 9.597 7.656 ( -9.410 -7.492 0.000) 12.028 8.096 ( 3.436 2.667 0.000) 4.349 8.188 ( -5.651 1.451 0.000) 5.834 8.570 ( 2.491 -3.280 0.000) 4.119 8.634 ( -3.938 -2.724 0.000) 4.789 8.916 ( 8.296 -5.172 0.000) 9.776 9.068 ( -6.917 -8.415 0.000) 10.894 12.838 ( 2.662 2.462 0.000) 3.626 12.850 ( 1.579 1.940 0.000) 2.501 13.090 ( 2.618 4.900 0.000) 5.556 13.121 ( -0.491 5.158 0.000) 5.181 13.992 ( 7.146 4.705 0.000) 8.556 14.132 ( -5.839 2.259 0.000) 6.260 14.479 ( 17.336 3.818 0.000) 17.751 14.626 ( 9.933 3.135 0.000) 10.416 14.763 ( -0.636 3.479 0.000) 3.536 14.821 ( 5.794 1.834 0.000) 6.077 14.870 ( -11.743 0.485 0.000) 11.753 15.141 ( -17.341 -0.896 0.000) 17.365 15.963 ( 5.919 -2.949 0.000) 6.613 16.024 ( 1.849 -3.737 0.000) 4.170 16.123 ( -0.501 -1.445 0.000) 1.529 16.191 ( -3.771 -3.792 0.000) 5.348 16.361 ( 1.969 -4.235 0.000) 4.670 16.437 ( -5.098 -6.622 0.000) 8.357 16.546 ( 7.381 1.592 0.000) 7.551 16.644 ( 0.737 -0.684 0.000) 1.005 16.739 ( -1.877 2.633 0.000) 3.234 16.762 ( -2.502 -2.487 0.000) 3.528 17.009 ( -2.598 4.865 0.000) 5.515 17.065 ( -3.611 -3.400 0.000) 4.960 17.208 ( 2.254 -1.273 0.000) 2.589 17.265 ( -2.294 -2.788 0.000) 3.611 17.367 ( 5.548 -1.821 0.000) 5.840 17.383 ( 4.091 0.267 0.000) 4.100 17.530 ( -2.969 3.657 0.000) 4.710 17.555 ( -6.018 1.734 0.000) 6.263 17.819 ( 7.618 -0.687 0.000) 7.649 18.011 ( -11.527 0.066 0.000) 11.527 19.337 ( 1.526 -4.039 0.000) 4.318 19.358 ( -0.436 -3.219 0.000) 3.248 19.428 ( 0.600 0.942 0.000) 1.116 19.450 ( -1.440 1.320 0.000) 1.954 ======================= Grid point 14 (9/120) ======================= q-point: ( 0.00 0.20 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| 1.310 ( 0.000 34.454 0.000) 34.454 1.650 ( 0.000 41.485 0.000) 41.485 2.701 ( 0.000 68.641 0.000) 68.641 4.401 ( 0.000 16.348 0.000) 16.348 4.833 ( 0.000 -19.116 0.000) 19.116 4.849 ( 0.000 20.269 0.000) 20.269 5.362 ( 0.000 -13.140 0.000) 13.140 5.726 ( 0.000 -3.618 0.000) 3.618 5.949 ( 0.000 9.370 0.000) 9.370 6.010 ( 0.000 7.219 0.000) 7.219 6.538 ( 0.000 7.879 0.000) 7.879 6.573 ( 0.000 -15.337 0.000) 15.337 6.793 ( 0.000 -12.432 0.000) 12.432 7.228 ( 0.000 -14.030 0.000) 14.030 7.248 ( 0.000 17.680 0.000) 17.680 7.809 ( 0.000 -7.338 0.000) 7.338 7.857 ( 0.000 -11.425 0.000) 11.425 7.881 ( 0.000 3.177 0.000) 3.177 7.989 ( 0.000 5.183 0.000) 5.183 8.359 ( 0.000 -8.722 0.000) 8.722 8.434 ( 0.000 -1.158 0.000) 1.158 8.632 ( 0.000 3.620 0.000) 3.620 8.800 ( 0.000 -3.147 0.000) 3.147 8.924 ( 0.000 -24.063 0.000) 24.063 12.703 ( 0.000 4.464 0.000) 4.464 12.734 ( 0.000 6.863 0.000) 6.863 13.138 ( 0.000 7.693 0.000) 7.693 13.201 ( 0.000 7.084 0.000) 7.084 13.619 ( 0.000 3.304 0.000) 3.304 13.717 ( 0.000 -2.125 0.000) 2.125 13.959 ( 0.000 9.313 0.000) 9.313 14.538 ( 0.000 -1.660 0.000) 1.660 14.873 ( 0.000 17.182 0.000) 17.182 15.172 ( 0.000 10.891 0.000) 10.891 15.297 ( 0.000 -7.472 0.000) 7.472 15.421 ( 0.000 -4.804 0.000) 4.804 15.713 ( 0.000 0.772 0.000) 0.772 15.828 ( 0.000 -2.750 0.000) 2.750 15.836 ( 0.000 -14.485 0.000) 14.485 16.022 ( 0.000 -3.466 0.000) 3.466 16.487 ( 0.000 -1.389 0.000) 1.389 16.528 ( 0.000 1.290 0.000) 1.290 16.610 ( 0.000 -2.724 0.000) 2.724 16.662 ( 0.000 3.122 0.000) 3.122 16.689 ( 0.000 -6.552 0.000) 6.552 16.721 ( 0.000 5.541 0.000) 5.541 16.900 ( 0.000 0.905 0.000) 0.905 17.144 ( 0.000 -4.019 0.000) 4.019 17.154 ( 0.000 3.279 0.000) 3.279 17.271 ( 0.000 -2.801 0.000) 2.801 17.354 ( 0.000 -3.504 0.000) 3.504 17.598 ( 0.000 -1.662 0.000) 1.662 17.613 ( 0.000 0.118 0.000) 0.118 17.682 ( 0.000 -5.602 0.000) 5.602 17.726 ( 0.000 9.543 0.000) 9.543 18.548 ( 0.000 -2.967 0.000) 2.967 19.165 ( 0.000 -5.705 0.000) 5.705 19.310 ( 0.000 -4.068 0.000) 4.068 19.412 ( 0.000 0.935 0.000) 0.935 19.518 ( 0.000 0.340 0.000) 0.340 ======================= Grid point 15 (10/120) ======================= q-point: ( 0.14 0.20 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 34.107 27.746 0.000) 43.968 1.781 ( 12.804 38.521 0.000) 40.593 2.895 ( 20.801 62.065 0.000) 65.458 4.207 ( -18.289 16.569 0.000) 24.678 4.512 ( -23.952 15.559 0.000) 28.562 4.991 ( 9.752 -12.881 0.000) 16.156 5.391 ( 2.835 -13.020 0.000) 13.325 5.822 ( 2.467 4.282 0.000) 4.942 5.915 ( 4.988 -0.577 0.000) 5.021 6.212 ( 13.222 9.804 0.000) 16.460 6.492 ( -7.551 -13.585 0.000) 15.543 6.695 ( 14.010 6.829 0.000) 15.586 6.745 ( -4.264 -12.890 0.000) 13.577 7.150 ( -8.238 15.665 0.000) 17.699 7.190 ( -4.198 -13.888 0.000) 14.509 7.686 ( -7.934 -13.306 0.000) 15.492 7.817 ( -5.779 7.966 0.000) 9.841 7.952 ( 4.731 -7.978 0.000) 9.275 7.966 ( -2.465 5.006 0.000) 5.580 8.367 ( 0.103 -6.105 0.000) 6.106 8.411 ( -1.593 -2.624 0.000) 3.069 8.646 ( 1.446 1.357 0.000) 1.983 8.759 ( -3.878 -3.499 0.000) 5.223 8.913 ( -1.157 -23.167 0.000) 23.196 12.746 ( 4.056 4.387 0.000) 5.975 12.769 ( 3.362 6.702 0.000) 7.498 13.125 ( -0.329 7.040 0.000) 7.048 13.213 ( 1.075 7.100 0.000) 7.180 13.776 ( 13.651 4.428 0.000) 14.351 13.818 ( 9.748 -1.953 0.000) 9.942 13.991 ( 3.647 8.679 0.000) 9.414 14.540 ( 0.546 -1.401 0.000) 1.504 14.836 ( -3.533 16.349 0.000) 16.727 15.156 ( -1.695 10.607 0.000) 10.742 15.214 ( -6.571 -5.856 0.000) 8.802 15.487 ( 3.197 -4.935 0.000) 5.880 15.687 ( -1.429 0.160 0.000) 1.438 15.825 ( 1.699 -4.943 0.000) 5.227 15.908 ( 4.750 -11.691 0.000) 12.619 16.021 ( 0.279 -4.030 0.000) 4.039 16.460 ( -4.510 -2.114 0.000) 4.981 16.500 ( 0.880 -1.331 0.000) 1.595 16.575 ( -5.738 -4.363 0.000) 7.208 16.600 ( -1.721 4.885 0.000) 5.179 16.726 ( 1.446 0.554 0.000) 1.549 16.818 ( 7.122 -0.836 0.000) 7.171 16.893 ( -0.631 1.138 0.000) 1.301 17.150 ( -0.061 1.590 0.000) 1.591 17.154 ( 1.072 -4.367 0.000) 4.497 17.267 ( -0.465 -2.368 0.000) 2.414 17.320 ( -2.977 -3.120 0.000) 4.312 17.554 ( -8.358 1.903 0.000) 8.572 17.605 ( 0.499 -0.912 0.000) 1.039 17.634 ( 0.718 -1.797 0.000) 1.935 17.752 ( -0.123 4.222 0.000) 4.224 18.464 ( -7.978 -1.707 0.000) 8.159 19.177 ( 1.090 -5.735 0.000) 5.838 19.307 ( -0.334 -4.272 0.000) 4.285 19.417 ( 0.509 1.054 0.000) 1.170 19.513 ( -0.569 0.479 0.000) 0.744 ======================= Grid point 16 (11/120) ======================= q-point: ( 0.29 0.20 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 21.692 32.397 0.000) 38.988 2.368 ( 27.546 31.880 0.000) 42.132 3.552 ( 43.792 40.557 0.000) 59.688 3.744 ( -26.946 18.545 0.000) 32.711 3.979 ( -28.482 22.412 0.000) 36.242 5.228 ( 13.077 -12.995 0.000) 18.436 5.466 ( 4.371 -12.223 0.000) 12.981 5.840 ( -2.064 4.990 0.000) 5.400 5.922 ( -8.298 0.621 0.000) 8.321 6.302 ( -10.823 -10.342 0.000) 14.970 6.488 ( 15.662 12.708 0.000) 20.169 6.666 ( -2.919 -15.151 0.000) 15.429 7.006 ( 13.969 1.983 0.000) 14.109 7.049 ( 1.273 6.129 0.000) 6.260 7.053 ( -8.152 -12.400 0.000) 14.840 7.515 ( -9.642 -6.961 0.000) 11.892 7.659 ( -9.018 4.398 0.000) 10.033 7.883 ( -6.091 4.718 0.000) 7.704 8.039 ( 4.197 -3.394 0.000) 5.398 8.313 ( -4.598 0.379 0.000) 4.614 8.424 ( 2.153 -6.994 0.000) 7.318 8.649 ( -4.274 -4.644 0.000) 6.312 8.703 ( 1.796 -4.174 0.000) 4.544 8.879 ( -2.250 -20.538 0.000) 20.660 12.842 ( 4.868 4.350 0.000) 6.528 12.850 ( 4.241 6.268 0.000) 7.568 13.147 ( 2.550 6.577 0.000) 7.054 13.237 ( 1.128 7.097 0.000) 7.186 14.000 ( 6.673 8.479 0.000) 10.790 14.057 ( 12.342 -0.757 0.000) 12.365 14.197 ( 18.327 5.471 0.000) 19.126 14.585 ( 5.037 -0.882 0.000) 5.113 14.750 ( -4.381 13.374 0.000) 14.074 15.058 ( -8.947 -3.251 0.000) 9.520 15.094 ( -5.073 9.989 0.000) 11.203 15.406 ( -10.956 -1.655 0.000) 11.081 15.757 ( 7.472 -3.774 0.000) 8.371 15.888 ( 4.148 -3.322 0.000) 5.314 15.992 ( 3.101 -10.826 0.000) 11.261 16.037 ( 1.133 -6.074 0.000) 6.178 16.374 ( -4.154 -2.497 0.000) 4.847 16.412 ( -7.577 -6.813 0.000) 10.189 16.568 ( -0.496 6.120 0.000) 6.140 16.568 ( 3.402 -1.643 0.000) 3.778 16.744 ( 0.434 1.123 0.000) 1.204 16.840 ( -3.101 1.338 0.000) 3.378 16.962 ( 4.971 -3.013 0.000) 5.813 17.147 ( -0.924 -3.658 0.000) 3.772 17.178 ( -0.038 -4.809 0.000) 4.809 17.232 ( -4.006 -0.493 0.000) 4.036 17.280 ( 0.520 -0.624 0.000) 0.812 17.391 ( -5.114 1.823 0.000) 5.429 17.609 ( -0.171 0.667 0.000) 0.689 17.659 ( 0.454 -1.299 0.000) 1.376 17.728 ( -0.506 3.720 0.000) 3.754 18.259 ( -12.090 -0.296 0.000) 12.094 19.205 ( 1.724 -5.727 0.000) 5.981 19.296 ( -0.829 -4.759 0.000) 4.830 19.431 ( 0.894 1.295 0.000) 1.574 19.497 ( -1.006 0.853 0.000) 1.319 ======================= Grid point 17 (12/120) ======================= q-point: ( 0.43 0.20 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 26.357 26.539 0.000) 37.403 2.866 ( 22.228 32.473 0.000) 39.352 3.198 ( -25.495 22.833 0.000) 34.225 3.422 ( -27.217 28.695 0.000) 39.550 4.486 ( 47.508 23.946 0.000) 53.202 5.325 ( -30.294 9.966 0.000) 31.891 5.491 ( 1.123 -7.124 0.000) 7.212 5.535 ( 1.418 -10.874 0.000) 10.966 5.950 ( 5.193 -1.489 0.000) 5.402 6.094 ( -9.470 -6.605 0.000) 11.546 6.665 ( 4.179 -15.720 0.000) 16.266 6.830 ( -11.237 -14.640 0.000) 18.455 6.837 ( 18.538 7.778 0.000) 20.103 7.150 ( -8.311 -4.866 0.000) 9.631 7.178 ( 8.998 -1.751 0.000) 9.167 7.330 ( -6.303 9.173 0.000) 11.130 7.563 ( 3.105 -0.611 0.000) 3.164 7.726 ( -9.489 4.347 0.000) 10.437 8.123 ( 4.393 -0.278 0.000) 4.402 8.215 ( -4.950 0.937 0.000) 5.038 8.477 ( 3.243 -6.312 0.000) 7.097 8.554 ( -4.523 -5.652 0.000) 7.239 8.761 ( 3.301 -10.609 0.000) 11.111 8.825 ( -3.071 -16.310 0.000) 16.596 12.914 ( 2.026 4.718 0.000) 5.135 12.915 ( 1.889 5.507 0.000) 5.822 13.207 ( 2.917 6.656 0.000) 7.267 13.245 ( -0.655 6.941 0.000) 6.972 14.121 ( 6.018 8.418 0.000) 10.348 14.198 ( 0.353 4.606 0.000) 4.620 14.577 ( 17.463 5.686 0.000) 18.365 14.709 ( 1.454 4.994 0.000) 5.201 14.787 ( 14.790 0.076 0.000) 14.791 14.884 ( -7.382 0.929 0.000) 7.440 14.937 ( -10.566 8.768 0.000) 13.730 15.120 ( -16.942 -1.080 0.000) 16.976 15.896 ( 5.517 -4.033 0.000) 6.834 15.951 ( 0.630 -3.507 0.000) 3.563 16.031 ( 1.643 -7.927 0.000) 8.095 16.052 ( 0.049 -8.549 0.000) 8.549 16.295 ( -3.206 -7.038 0.000) 7.734 16.299 ( -2.954 -2.861 0.000) 4.113 16.608 ( 4.176 4.514 0.000) 6.149 16.639 ( 2.667 -0.106 0.000) 2.669 16.741 ( -0.737 0.023 0.000) 0.738 16.769 ( -3.541 0.353 0.000) 3.559 17.005 ( 0.047 -2.638 0.000) 2.638 17.059 ( -6.861 0.616 0.000) 6.889 17.148 ( 1.940 -4.674 0.000) 5.061 17.191 ( -1.727 -4.634 0.000) 4.945 17.337 ( 3.759 -1.241 0.000) 3.959 17.376 ( 0.394 -1.120 0.000) 1.187 17.600 ( -0.479 2.859 0.000) 2.899 17.616 ( -2.578 3.630 0.000) 4.452 17.807 ( 7.756 0.262 0.000) 7.761 18.011 ( -12.208 0.185 0.000) 12.209 19.241 ( 1.799 -5.583 0.000) 5.865 19.273 ( -1.413 -5.255 0.000) 5.441 19.451 ( 1.123 1.406 0.000) 1.799 19.475 ( -1.178 1.237 0.000) 1.708 ======================= Grid point 21 (13/120) ======================= q-point: ( 0.00 0.30 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.000 34.646 0.000) 34.646 2.431 ( 0.000 38.919 0.000) 38.919 4.007 ( 0.000 65.856 0.000) 65.856 4.421 ( 0.000 -23.058 0.000) 23.058 4.707 ( 0.000 9.653 0.000) 9.653 5.095 ( 0.000 -9.206 0.000) 9.206 5.288 ( 0.000 24.284 0.000) 24.284 5.668 ( 0.000 -1.507 0.000) 1.507 6.161 ( 0.000 12.222 0.000) 12.222 6.212 ( 0.000 12.601 0.000) 12.601 6.272 ( 0.000 -15.304 0.000) 15.304 6.492 ( 0.000 -17.741 0.000) 17.741 6.702 ( 0.000 8.265 0.000) 8.265 6.945 ( 0.000 -15.201 0.000) 15.201 7.520 ( 0.000 -18.491 0.000) 18.491 7.578 ( 0.000 15.589 0.000) 15.589 7.640 ( 0.000 -9.041 0.000) 9.041 7.977 ( 0.000 -12.277 0.000) 12.277 8.002 ( 0.000 4.621 0.000) 4.621 8.225 ( 0.000 -5.003 0.000) 5.003 8.377 ( 0.000 -19.171 0.000) 19.171 8.452 ( 0.000 -3.915 0.000) 3.915 8.623 ( 0.000 -4.267 0.000) 4.267 8.773 ( 0.000 -0.194 0.000) 0.194 12.808 ( 0.000 6.191 0.000) 6.191 12.889 ( 0.000 8.683 0.000) 8.683 13.259 ( 0.000 4.264 0.000) 4.264 13.332 ( 0.000 5.722 0.000) 5.722 13.702 ( 0.000 5.093 0.000) 5.093 13.714 ( 0.000 1.754 0.000) 1.754 14.143 ( 0.000 9.106 0.000) 9.106 14.506 ( 0.000 -1.724 0.000) 1.724 15.129 ( 0.000 -9.092 0.000) 9.092 15.171 ( 0.000 10.343 0.000) 10.343 15.372 ( 0.000 0.141 0.000) 0.141 15.392 ( 0.000 11.040 0.000) 11.040 15.590 ( 0.000 -8.017 0.000) 8.017 15.743 ( 0.000 2.450 0.000) 2.450 15.778 ( 0.000 -1.758 0.000) 1.758 15.972 ( 0.000 -2.036 0.000) 2.036 16.462 ( 0.000 -0.742 0.000) 0.742 16.515 ( 0.000 -3.214 0.000) 3.214 16.527 ( 0.000 -9.954 0.000) 9.954 16.559 ( 0.000 -2.253 0.000) 2.253 16.700 ( 0.000 0.841 0.000) 0.841 16.836 ( 0.000 6.144 0.000) 6.144 16.897 ( 0.000 -1.283 0.000) 1.283 17.075 ( 0.000 -2.849 0.000) 2.849 17.210 ( 0.000 1.957 0.000) 1.957 17.230 ( 0.000 -1.275 0.000) 1.275 17.283 ( 0.000 -3.374 0.000) 3.374 17.551 ( 0.000 -2.691 0.000) 2.691 17.560 ( 0.000 -6.849 0.000) 6.849 17.595 ( 0.000 -1.613 0.000) 1.613 17.932 ( 0.000 10.976 0.000) 10.976 18.487 ( 0.000 -3.375 0.000) 3.375 19.059 ( 0.000 -4.753 0.000) 4.753 19.204 ( 0.000 -6.161 0.000) 6.161 19.447 ( 0.000 2.128 0.000) 2.128 19.524 ( 0.000 0.229 0.000) 0.229 ======================= Grid point 22 (14/120) ======================= q-point: ( 0.14 0.30 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 28.519 29.984 0.000) 41.381 2.524 ( 9.243 37.686 0.000) 38.803 4.115 ( 11.259 62.677 0.000) 63.680 4.496 ( 5.291 -17.590 0.000) 18.369 4.552 ( -15.460 16.215 0.000) 22.404 5.050 ( -15.127 18.422 0.000) 23.837 5.103 ( 1.967 -14.414 0.000) 14.548 5.845 ( 10.485 1.483 0.000) 10.589 6.026 ( -5.530 8.980 0.000) 10.546 6.218 ( -5.150 -14.283 0.000) 15.183 6.416 ( 2.251 -5.623 0.000) 6.057 6.465 ( 7.673 1.663 0.000) 7.851 6.827 ( 9.987 4.782 0.000) 11.073 6.908 ( -3.441 -14.252 0.000) 14.662 7.406 ( -6.188 -13.876 0.000) 15.194 7.455 ( -11.378 15.015 0.000) 18.839 7.768 ( 8.236 -10.114 0.000) 13.043 7.952 ( -4.995 4.723 0.000) 6.875 7.967 ( -1.168 -10.182 0.000) 10.249 8.244 ( 1.649 -4.175 0.000) 4.488 8.354 ( -2.426 -16.258 0.000) 16.438 8.454 ( 0.135 -8.109 0.000) 8.110 8.607 ( -1.629 -4.953 0.000) 5.214 8.715 ( -5.482 -1.419 0.000) 5.663 12.850 ( 4.004 6.171 0.000) 7.356 12.921 ( 3.098 8.581 0.000) 9.123 13.243 ( -0.502 4.688 0.000) 4.715 13.342 ( 0.953 5.590 0.000) 5.671 13.820 ( 10.308 2.051 0.000) 10.510 13.867 ( 14.732 4.703 0.000) 15.465 14.170 ( 2.968 9.245 0.000) 9.709 14.514 ( 1.056 -1.323 0.000) 1.693 15.083 ( -4.091 -7.237 0.000) 8.313 15.120 ( -5.005 10.483 0.000) 11.617 15.364 ( -2.526 9.686 0.000) 10.010 15.421 ( 3.549 -1.123 0.000) 3.722 15.654 ( 5.727 -7.025 0.000) 9.063 15.699 ( -3.950 1.298 0.000) 4.158 15.798 ( 1.803 -2.343 0.000) 2.956 15.969 ( -0.124 -1.634 0.000) 1.639 16.412 ( -5.459 -3.201 0.000) 6.329 16.436 ( -7.542 -8.487 0.000) 11.354 16.481 ( 1.936 -1.038 0.000) 2.196 16.651 ( 3.573 -0.360 0.000) 3.591 16.737 ( 2.143 0.127 0.000) 2.147 16.841 ( 1.357 3.527 0.000) 3.779 16.888 ( -1.040 -1.644 0.000) 1.945 17.072 ( -0.009 -3.737 0.000) 3.737 17.173 ( -3.866 0.233 0.000) 3.873 17.236 ( 0.440 -0.805 0.000) 0.918 17.264 ( -0.885 -2.077 0.000) 2.257 17.497 ( -5.963 -5.824 0.000) 8.335 17.572 ( 1.646 -2.156 0.000) 2.712 17.601 ( 0.636 -1.700 0.000) 1.815 17.910 ( -2.178 10.050 0.000) 10.284 18.420 ( -6.498 -2.665 0.000) 7.023 19.070 ( 1.030 -4.819 0.000) 4.928 19.201 ( -0.352 -6.062 0.000) 6.072 19.451 ( 0.431 2.025 0.000) 2.070 19.521 ( -0.328 0.340 0.000) 0.472 ======================= Grid point 23 (15/120) ======================= q-point: ( 0.29 0.30 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 16.796 34.484 0.000) 38.357 2.930 ( 31.594 27.043 0.000) 41.587 4.149 ( -23.585 22.109 0.000) 32.327 4.394 ( -17.269 16.298 0.000) 23.746 4.470 ( 24.870 51.355 0.000) 57.060 4.992 ( 10.298 -8.327 0.000) 13.243 5.183 ( 5.591 -16.189 0.000) 17.128 5.922 ( -6.225 -2.441 0.000) 6.687 5.960 ( -0.531 7.071 0.000) 7.091 6.083 ( -7.993 -12.402 0.000) 14.755 6.353 ( -2.029 -13.893 0.000) 14.040 6.739 ( 12.846 12.793 0.000) 18.130 6.762 ( -9.537 -14.621 0.000) 17.456 7.010 ( 3.451 -6.198 0.000) 7.094 7.219 ( -8.390 11.017 0.000) 13.848 7.377 ( 5.405 -1.453 0.000) 5.597 7.803 ( -9.518 6.201 0.000) 11.360 7.918 ( -4.090 -4.164 0.000) 5.837 7.930 ( 7.633 -7.635 0.000) 10.796 8.277 ( 0.907 -7.033 0.000) 7.091 8.289 ( -3.293 -8.364 0.000) 8.989 8.460 ( 0.719 -14.920 0.000) 14.937 8.536 ( -6.482 -6.674 0.000) 9.304 8.603 ( -4.011 -5.825 0.000) 7.073 12.946 ( 5.094 6.281 0.000) 8.087 12.995 ( 3.711 8.332 0.000) 9.121 13.263 ( 2.450 4.798 0.000) 5.388 13.363 ( 0.873 5.243 0.000) 5.316 14.084 ( 14.834 3.460 0.000) 15.233 14.169 ( 10.684 8.110 0.000) 13.414 14.312 ( 15.124 6.244 0.000) 16.363 14.567 ( 5.144 -0.849 0.000) 5.214 14.984 ( -5.553 -4.225 0.000) 6.978 14.984 ( -8.216 9.543 0.000) 12.592 15.287 ( -5.910 8.572 0.000) 10.412 15.388 ( -9.520 -0.018 0.000) 9.520 15.679 ( 4.035 -3.371 0.000) 5.258 15.785 ( 6.649 -6.431 0.000) 9.250 15.841 ( 2.507 -3.280 0.000) 4.128 15.964 ( -0.578 -1.765 0.000) 1.858 16.269 ( -8.374 -7.937 0.000) 11.538 16.319 ( -4.209 -3.468 0.000) 5.454 16.541 ( 3.998 -0.920 0.000) 4.103 16.677 ( 0.333 4.210 0.000) 4.223 16.757 ( 0.007 0.228 0.000) 0.228 16.838 ( -3.309 -1.452 0.000) 3.613 16.912 ( 4.063 -1.844 0.000) 4.462 17.076 ( -4.876 -3.284 0.000) 5.879 17.080 ( 0.434 -4.882 0.000) 4.901 17.222 ( -3.773 -0.459 0.000) 3.801 17.272 ( 1.713 -0.184 0.000) 1.723 17.368 ( -4.524 -3.459 0.000) 5.695 17.602 ( 1.260 -1.272 0.000) 1.790 17.622 ( 1.445 -2.262 0.000) 2.684 17.857 ( -2.441 8.480 0.000) 8.824 18.246 ( -10.616 -0.998 0.000) 10.663 19.098 ( 1.681 -4.987 0.000) 5.263 19.189 ( -0.878 -5.809 0.000) 5.875 19.463 ( 0.755 1.757 0.000) 1.913 19.511 ( -0.625 0.637 0.000) 0.892 ======================= Grid point 24 (16/120) ======================= q-point: ( 0.43 0.30 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 21.737 30.343 0.000) 37.325 3.464 ( 16.975 28.419 0.000) 33.102 3.691 ( -16.335 27.158 0.000) 31.692 3.984 ( -22.205 27.824 0.000) 35.598 5.060 ( 32.618 33.404 0.000) 46.688 5.228 ( 9.551 -12.138 0.000) 15.446 5.286 ( 3.154 -13.924 0.000) 14.277 5.644 ( -23.220 11.294 0.000) 25.821 5.902 ( -3.096 -2.657 0.000) 4.080 5.932 ( -6.089 -10.942 0.000) 12.522 6.372 ( 5.032 -10.609 0.000) 11.742 6.546 ( -11.226 -12.422 0.000) 16.743 6.892 ( 4.379 -0.803 0.000) 4.452 6.980 ( -4.185 -10.469 0.000) 11.274 7.277 ( 12.284 10.123 0.000) 15.918 7.523 ( -4.074 8.138 0.000) 9.101 7.621 ( 1.978 5.845 0.000) 6.170 7.795 ( -8.404 2.049 0.000) 8.650 8.075 ( 6.887 -4.970 0.000) 8.493 8.197 ( -5.352 -5.175 0.000) 7.445 8.313 ( 2.566 -10.688 0.000) 10.992 8.399 ( -6.120 -10.904 0.000) 12.504 8.490 ( 2.273 -14.635 0.000) 14.810 8.542 ( -2.807 -10.250 0.000) 10.627 13.028 ( 2.736 6.818 0.000) 7.347 13.045 ( 1.018 7.683 0.000) 7.750 13.323 ( 3.066 4.708 0.000) 5.618 13.365 ( -0.939 4.860 0.000) 4.950 14.307 ( 4.853 10.429 0.000) 11.503 14.313 ( 5.905 7.289 0.000) 9.381 14.673 ( 15.770 3.751 0.000) 16.210 14.757 ( 13.565 -0.555 0.000) 13.577 14.834 ( -5.115 4.818 0.000) 7.026 14.902 ( -0.103 0.479 0.000) 0.490 15.106 ( -12.306 7.155 0.000) 14.235 15.109 ( -16.601 -0.015 0.000) 16.601 15.789 ( 5.504 -6.156 0.000) 8.258 15.854 ( -0.141 -7.502 0.000) 7.504 15.904 ( 2.627 -2.100 0.000) 3.363 15.941 ( -1.632 -2.435 0.000) 2.931 16.166 ( -0.368 -6.631 0.000) 6.641 16.230 ( -4.818 -4.432 0.000) 6.546 16.634 ( 5.111 -0.299 0.000) 5.120 16.700 ( 0.907 4.359 0.000) 4.452 16.752 ( -0.447 0.683 0.000) 0.816 16.759 ( -3.511 -1.091 0.000) 3.676 16.964 ( 1.454 -1.554 0.000) 2.128 17.040 ( 1.817 -6.022 0.000) 6.291 17.052 ( -5.593 -1.237 0.000) 5.729 17.093 ( -4.296 -5.147 0.000) 6.704 17.320 ( 2.529 -0.560 0.000) 2.591 17.347 ( -0.088 -1.511 0.000) 1.514 17.623 ( 1.008 -0.457 0.000) 1.107 17.640 ( -0.241 -1.270 0.000) 1.293 17.864 ( 4.490 5.250 0.000) 6.908 18.027 ( -10.730 1.324 0.000) 10.811 19.133 ( 1.809 -5.219 0.000) 5.523 19.166 ( -1.462 -5.502 0.000) 5.693 19.480 ( 0.890 1.406 0.000) 1.664 19.497 ( -0.831 1.021 0.000) 1.316 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.00 0.40 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| 2.640 ( 0.000 33.084 0.000) 33.084 3.130 ( 0.000 30.983 0.000) 30.983 3.964 ( 0.000 -22.049 0.000) 22.049 4.482 ( 0.000 -24.363 0.000) 24.363 5.233 ( 0.000 59.979 0.000) 59.979 5.286 ( 0.000 20.163 0.000) 20.163 5.679 ( 0.000 2.680 0.000) 2.680 5.760 ( 0.000 23.668 0.000) 23.668 5.998 ( 0.000 -12.532 0.000) 12.532 6.119 ( 0.000 -20.092 0.000) 20.092 6.404 ( 0.000 12.011 0.000) 12.011 6.489 ( 0.000 15.490 0.000) 15.490 6.633 ( 0.000 -16.763 0.000) 16.763 6.810 ( 0.000 1.011 0.000) 1.011 7.159 ( 0.000 -18.518 0.000) 18.518 7.428 ( 0.000 -41.089 0.000) 41.089 7.520 ( 0.000 -1.298 0.000) 1.298 7.836 ( 0.000 10.877 0.000) 10.877 7.886 ( 0.000 -16.379 0.000) 16.379 8.047 ( 0.000 -0.071 0.000) 0.071 8.339 ( 0.000 3.744 0.000) 3.744 8.515 ( 0.000 6.077 0.000) 6.077 8.519 ( 0.000 -5.678 0.000) 5.678 8.743 ( 0.000 -3.351 0.000) 3.351 12.935 ( 0.000 6.642 0.000) 6.642 13.036 ( 0.000 5.119 0.000) 5.119 13.309 ( 0.000 1.895 0.000) 1.895 13.399 ( 0.000 0.820 0.000) 0.820 13.773 ( 0.000 3.727 0.000) 3.727 13.797 ( 0.000 3.947 0.000) 3.947 14.297 ( 0.000 6.683 0.000) 6.683 14.466 ( 0.000 -2.574 0.000) 2.574 14.984 ( 0.000 -4.727 0.000) 4.727 15.136 ( 0.000 -9.476 0.000) 9.476 15.422 ( 0.000 4.369 0.000) 4.369 15.538 ( 0.000 2.261 0.000) 2.261 15.656 ( 0.000 10.387 0.000) 10.387 15.808 ( 0.000 5.821 0.000) 5.821 15.813 ( 0.000 4.768 0.000) 4.768 15.926 ( 0.000 -3.140 0.000) 3.140 16.327 ( 0.000 -9.469 0.000) 9.469 16.398 ( 0.000 -8.444 0.000) 8.444 16.470 ( 0.000 1.564 0.000) 1.564 16.528 ( 0.000 -1.018 0.000) 1.018 16.707 ( 0.000 0.423 0.000) 0.423 16.840 ( 0.000 -4.593 0.000) 4.593 16.947 ( 0.000 4.831 0.000) 4.831 17.036 ( 0.000 -1.389 0.000) 1.389 17.218 ( 0.000 -0.128 0.000) 0.128 17.224 ( 0.000 -0.142 0.000) 0.142 17.246 ( 0.000 0.139 0.000) 0.139 17.423 ( 0.000 -7.083 0.000) 7.083 17.517 ( 0.000 -0.541 0.000) 0.541 17.559 ( 0.000 -1.922 0.000) 1.922 18.134 ( 0.000 9.622 0.000) 9.622 18.411 ( 0.000 -4.706 0.000) 4.706 18.997 ( 0.000 -1.415 0.000) 1.415 19.089 ( 0.000 -5.397 0.000) 5.397 19.486 ( 0.000 1.780 0.000) 1.780 19.525 ( 0.000 -0.240 0.000) 0.240 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.14 0.40 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 22.819 29.838 0.000) 37.564 3.212 ( 8.102 31.760 0.000) 32.777 4.092 ( 12.258 -21.324 0.000) 24.596 4.501 ( 1.495 -21.133 0.000) 21.186 5.137 ( -12.684 19.661 0.000) 23.398 5.299 ( 6.315 56.222 0.000) 56.575 5.412 ( -16.242 16.438 0.000) 23.108 5.915 ( -0.684 -1.226 0.000) 1.404 5.953 ( -4.475 -12.640 0.000) 13.409 6.025 ( -1.753 -7.335 0.000) 7.542 6.308 ( -3.387 9.976 0.000) 10.536 6.603 ( -3.116 -15.338 0.000) 15.651 6.710 ( 14.320 12.721 0.000) 19.154 6.833 ( 0.117 -7.479 0.000) 7.480 7.208 ( 6.980 -6.877 0.000) 9.799 7.453 ( 2.653 -38.674 0.000) 38.765 7.608 ( 7.622 -3.777 0.000) 8.507 7.719 ( -11.118 11.751 0.000) 16.177 7.930 ( 3.837 -15.261 0.000) 15.736 7.989 ( -5.619 -1.082 0.000) 5.722 8.313 ( -2.467 3.881 0.000) 4.598 8.488 ( -2.910 4.423 0.000) 5.295 8.498 ( -2.106 -5.699 0.000) 6.075 8.669 ( -7.287 -3.521 0.000) 8.093 12.977 ( 3.972 6.574 0.000) 7.680 13.069 ( 3.227 5.352 0.000) 6.249 13.305 ( 0.096 2.496 0.000) 2.498 13.406 ( 0.667 0.653 0.000) 0.933 13.886 ( 11.021 4.136 0.000) 11.771 13.943 ( 13.648 2.675 0.000) 13.908 14.331 ( 3.427 7.016 0.000) 7.808 14.484 ( 1.977 -1.868 0.000) 2.720 14.964 ( -1.960 -3.854 0.000) 4.324 15.125 ( -1.486 -7.983 0.000) 8.120 15.449 ( 2.061 3.400 0.000) 3.976 15.505 ( -3.822 4.830 0.000) 6.159 15.673 ( 2.494 4.781 0.000) 5.392 15.739 ( -6.306 2.534 0.000) 6.796 15.823 ( 1.059 6.456 0.000) 6.543 15.945 ( 1.124 -0.820 0.000) 1.392 16.255 ( -6.232 -8.878 0.000) 10.847 16.319 ( -5.184 -6.744 0.000) 8.506 16.492 ( 1.842 2.006 0.000) 2.723 16.607 ( 5.135 -3.037 0.000) 5.966 16.732 ( 1.863 -0.314 0.000) 1.889 16.827 ( -1.343 -4.395 0.000) 4.595 16.927 ( -1.401 4.271 0.000) 4.495 17.016 ( -1.396 -2.010 0.000) 2.447 17.175 ( -5.464 1.139 0.000) 5.582 17.232 ( 1.027 0.125 0.000) 1.035 17.242 ( 0.798 -0.552 0.000) 0.971 17.369 ( -4.991 -6.983 0.000) 8.583 17.540 ( 1.821 -0.838 0.000) 2.004 17.566 ( 0.607 -1.713 0.000) 1.818 18.100 ( -3.297 9.132 0.000) 9.708 18.357 ( -5.303 -4.126 0.000) 6.719 19.005 ( 0.804 -1.587 0.000) 1.779 19.088 ( -0.051 -5.192 0.000) 5.192 19.488 ( 0.227 1.676 0.000) 1.692 19.523 ( -0.137 -0.149 0.000) 0.202 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.29 0.40 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( 29.948 24.961 0.000) 38.986 3.435 ( 14.020 31.612 0.000) 34.581 4.384 ( 14.079 -14.341 0.000) 20.097 4.468 ( -8.284 0.839 0.000) 8.327 4.917 ( -4.793 1.387 0.000) 4.989 5.103 ( -13.335 16.482 0.000) 21.201 5.478 ( 10.582 44.464 0.000) 45.706 5.699 ( -13.663 -19.515 0.000) 23.822 5.835 ( -6.299 -9.768 0.000) 11.623 6.098 ( 2.362 6.943 0.000) 7.334 6.289 ( 1.377 6.532 0.000) 6.676 6.514 ( -5.501 -10.311 0.000) 11.686 6.802 ( -2.111 -12.790 0.000) 12.963 6.964 ( 8.427 8.151 0.000) 11.724 7.424 ( 12.614 2.049 0.000) 12.779 7.456 ( -12.069 12.088 0.000) 17.082 7.543 ( 6.751 -29.582 0.000) 30.342 7.777 ( 8.466 -5.820 0.000) 10.273 7.844 ( -8.031 -2.843 0.000) 8.519 8.004 ( 2.396 -11.638 0.000) 11.882 8.258 ( -2.465 2.664 0.000) 3.629 8.399 ( -5.746 0.480 0.000) 5.766 8.422 ( -7.525 -4.460 0.000) 8.747 8.488 ( -8.443 -5.768 0.000) 10.225 13.074 ( 5.324 6.565 0.000) 8.452 13.147 ( 3.919 6.241 0.000) 7.369 13.325 ( 1.881 2.007 0.000) 2.751 13.420 ( 0.474 0.339 0.000) 0.582 14.178 ( 17.373 5.680 0.000) 18.278 14.279 ( 18.105 2.740 0.000) 18.311 14.440 ( 8.440 6.496 0.000) 10.650 14.551 ( 5.147 -0.888 0.000) 5.223 14.910 ( -3.273 -2.408 0.000) 4.063 15.056 ( -5.901 -3.094 0.000) 6.663 15.383 ( -8.580 2.463 0.000) 8.927 15.404 ( -9.936 1.262 0.000) 10.016 15.659 ( 1.241 1.636 0.000) 2.054 15.761 ( 6.009 0.195 0.000) 6.012 15.834 ( -0.213 5.459 0.000) 5.463 15.950 ( -0.755 0.054 0.000) 0.757 16.118 ( -6.753 -6.962 0.000) 9.699 16.225 ( -4.553 -6.561 0.000) 7.986 16.544 ( 3.707 1.616 0.000) 4.043 16.690 ( 3.345 -2.874 0.000) 4.410 16.754 ( 0.267 -0.393 0.000) 0.475 16.788 ( -2.462 -2.947 0.000) 3.840 16.921 ( 1.163 2.295 0.000) 2.573 17.000 ( -0.257 -3.178 0.000) 3.189 17.043 ( -7.209 0.563 0.000) 7.231 17.198 ( -7.011 -2.968 0.000) 7.614 17.271 ( 2.058 0.079 0.000) 2.059 17.297 ( 0.579 -2.686 0.000) 2.748 17.574 ( 1.521 -1.236 0.000) 1.959 17.582 ( 1.000 -1.681 0.000) 1.956 18.019 ( -4.253 7.677 0.000) 8.776 18.215 ( -8.507 -2.441 0.000) 8.850 19.026 ( 1.267 -2.082 0.000) 2.437 19.085 ( -0.350 -4.607 0.000) 4.620 19.494 ( 0.402 1.382 0.000) 1.439 19.519 ( -0.289 0.111 0.000) 0.310 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.43 0.40 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( 17.482 28.574 0.000) 33.497 3.954 ( 15.324 21.891 0.000) 26.721 4.207 ( -8.952 24.086 0.000) 25.696 4.431 ( -11.847 15.105 0.000) 19.197 4.969 ( 6.282 -15.179 0.000) 16.428 5.011 ( 2.954 -7.348 0.000) 7.920 5.475 ( -6.066 -21.024 0.000) 21.882 5.530 ( -7.038 -8.749 0.000) 11.229 5.879 ( 12.087 25.175 0.000) 27.927 6.078 ( -5.183 12.891 0.000) 13.894 6.333 ( 2.567 4.917 0.000) 5.547 6.405 ( -4.938 -1.849 0.000) 5.272 6.788 ( 1.750 -7.970 0.000) 8.160 6.909 ( -9.808 4.326 0.000) 10.720 7.424 ( 7.019 -2.686 0.000) 7.515 7.569 ( -3.600 -6.627 0.000) 7.542 7.713 ( 8.467 -8.387 0.000) 11.917 7.739 ( 2.725 5.027 0.000) 5.717 7.942 ( 5.996 -6.223 0.000) 8.641 7.992 ( -2.563 -5.832 0.000) 6.370 8.206 ( -4.772 -2.318 0.000) 5.305 8.207 ( -9.245 -5.776 0.000) 10.901 8.320 ( 0.515 -5.123 0.000) 5.149 8.382 ( -4.258 -6.934 0.000) 8.137 13.165 ( 3.372 6.863 0.000) 7.647 13.195 ( 0.496 7.115 0.000) 7.133 13.374 ( 2.751 0.536 0.000) 2.803 13.415 ( -1.137 0.143 0.000) 1.146 14.479 ( 9.509 9.581 0.000) 13.499 14.512 ( 5.435 10.287 0.000) 11.635 14.723 ( 15.132 1.497 0.000) 15.206 14.733 ( 14.841 -1.720 0.000) 14.941 14.875 ( 3.062 -3.353 0.000) 4.540 14.904 ( -8.372 1.307 0.000) 8.473 15.108 ( -17.504 -0.369 0.000) 17.508 15.154 ( -14.624 -2.307 0.000) 14.804 15.734 ( 4.514 1.431 0.000) 4.736 15.806 ( -2.418 3.456 0.000) 4.218 15.881 ( 4.344 -1.039 0.000) 4.467 15.924 ( -1.488 0.020 0.000) 1.488 16.037 ( 0.235 -6.176 0.000) 6.181 16.122 ( -5.940 -6.828 0.000) 9.050 16.637 ( 5.302 0.975 0.000) 5.391 16.726 ( -2.947 -1.809 0.000) 3.458 16.759 ( 0.647 0.058 0.000) 0.649 16.760 ( 1.847 0.917 0.000) 2.063 16.925 ( -1.754 -2.964 0.000) 3.444 16.969 ( 2.260 0.330 0.000) 2.284 16.982 ( -2.908 -4.650 0.000) 5.485 17.038 ( -6.711 -1.586 0.000) 6.896 17.313 ( 1.766 -0.124 0.000) 1.771 17.324 ( 0.860 -0.847 0.000) 1.208 17.599 ( 0.945 -1.458 0.000) 1.738 17.603 ( 0.737 -1.873 0.000) 2.013 17.968 ( 0.263 4.801 0.000) 4.808 18.049 ( -7.289 0.556 0.000) 7.310 19.052 ( 1.250 -2.848 0.000) 3.111 19.073 ( -0.848 -3.758 0.000) 3.853 19.503 ( 0.473 0.957 0.000) 1.067 19.512 ( -0.423 0.502 0.000) 0.656 ======================= Grid point 35 (21/120) ======================= q-point: ( 0.00 -0.50 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 0.000 -24.050 0.000) 24.050 3.223 ( 0.000 24.050 0.000) 24.050 3.968 ( 0.000 -25.008 0.000) 25.008 3.968 ( 0.000 25.008 0.000) 25.008 5.682 ( 0.000 -16.676 0.000) 16.676 5.682 ( 0.000 16.676 0.000) 16.676 5.813 ( 0.000 -3.128 0.000) 3.128 5.813 ( 0.000 3.128 0.000) 3.128 6.107 ( 0.000 -2.910 0.000) 2.910 6.107 ( 0.000 2.910 0.000) 2.910 6.438 ( 0.000 -15.358 0.000) 15.358 6.438 ( 0.000 15.358 0.000) 15.358 6.772 ( 0.000 -4.488 0.000) 4.488 6.772 ( 0.000 4.488 0.000) 4.488 6.810 ( 0.000 -17.463 0.000) 17.463 6.810 ( 0.000 17.463 0.000) 17.463 7.622 ( 0.000 -10.662 0.000) 10.662 7.622 ( 0.000 10.662 0.000) 10.662 7.994 ( 0.000 -5.437 0.000) 5.437 7.994 ( 0.000 5.437 0.000) 5.437 8.418 ( 0.000 -4.600 0.000) 4.600 8.418 ( 0.000 4.600 0.000) 4.600 8.645 ( 0.000 -6.466 0.000) 6.466 8.645 ( 0.000 6.466 0.000) 6.466 13.044 ( 0.000 -3.775 0.000) 3.775 13.044 ( 0.000 3.775 0.000) 3.775 13.367 ( 0.000 -3.478 0.000) 3.478 13.367 ( 0.000 3.478 0.000) 3.478 13.828 ( 0.000 -1.085 0.000) 1.085 13.828 ( 0.000 1.085 0.000) 1.085 14.401 ( 0.000 -4.202 0.000) 4.202 14.401 ( 0.000 4.202 0.000) 4.202 14.981 ( 0.000 -4.655 0.000) 4.655 14.981 ( 0.000 4.655 0.000) 4.655 15.508 ( 0.000 -3.845 0.000) 3.845 15.508 ( 0.000 3.845 0.000) 3.845 15.833 ( 0.000 -6.924 0.000) 6.924 15.833 ( 0.000 6.924 0.000) 6.924 15.893 ( 0.000 -0.991 0.000) 0.991 15.893 ( 0.000 0.991 0.000) 0.991 16.248 ( 0.000 -3.766 0.000) 3.766 16.248 ( 0.000 3.766 0.000) 3.766 16.507 ( 0.000 -1.605 0.000) 1.605 16.507 ( 0.000 1.605 0.000) 1.605 16.745 ( 0.000 -4.037 0.000) 4.037 16.745 ( 0.000 4.037 0.000) 4.037 17.010 ( 0.000 -1.818 0.000) 1.818 17.010 ( 0.000 1.818 0.000) 1.818 17.220 ( 0.000 -0.190 0.000) 0.190 17.220 ( 0.000 0.190 0.000) 0.190 17.300 ( 0.000 -5.155 0.000) 5.155 17.300 ( 0.000 5.155 0.000) 5.155 17.526 ( 0.000 -1.277 0.000) 1.277 17.526 ( 0.000 1.277 0.000) 1.277 18.297 ( 0.000 -7.129 0.000) 7.129 18.297 ( 0.000 7.129 0.000) 7.129 19.009 ( 0.000 -2.569 0.000) 2.569 19.009 ( 0.000 2.569 0.000) 2.569 19.513 ( 0.000 -1.012 0.000) 1.012 19.513 ( 0.000 1.012 0.000) 1.012 ======================= Grid point 37 (22/120) ======================= q-point: ( 0.14 -0.50 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( 17.293 -19.723 0.000) 26.231 3.407 ( 17.293 19.723 0.000) 26.231 4.025 ( 5.755 -22.343 0.000) 23.072 4.025 ( 5.755 22.343 0.000) 23.072 5.538 ( -13.128 -17.835 0.000) 22.146 5.538 ( -13.128 17.835 0.000) 22.146 5.710 ( -9.222 -7.828 0.000) 12.097 5.710 ( -9.222 7.828 0.000) 12.097 6.148 ( 3.001 -4.231 0.000) 5.187 6.148 ( 3.001 4.231 0.000) 5.187 6.446 ( 0.443 -9.985 0.000) 9.995 6.446 ( 0.443 9.985 0.000) 9.995 6.666 ( -2.599 -3.717 0.000) 4.535 6.666 ( -2.599 3.717 0.000) 4.535 7.044 ( 15.033 -8.403 0.000) 17.222 7.044 ( 15.033 8.403 0.000) 17.222 7.682 ( 5.503 -9.834 0.000) 11.269 7.682 ( 5.503 9.834 0.000) 11.269 7.908 ( -8.435 -7.185 0.000) 11.080 7.908 ( -8.435 7.185 0.000) 11.080 8.397 ( -2.092 -4.735 0.000) 5.177 8.397 ( -2.092 4.735 0.000) 5.177 8.584 ( -6.094 -4.863 0.000) 7.797 8.584 ( -6.094 4.863 0.000) 7.797 13.083 ( 3.747 -3.327 0.000) 5.011 13.083 ( 3.747 3.327 0.000) 5.011 13.370 ( 0.415 -3.067 0.000) 3.095 13.370 ( 0.415 3.067 0.000) 3.095 13.952 ( 12.051 -1.212 0.000) 12.111 13.952 ( 12.051 1.212 0.000) 12.111 14.434 ( 3.243 -3.460 0.000) 4.742 14.434 ( 3.243 3.460 0.000) 4.742 14.974 ( -0.808 -5.162 0.000) 5.225 14.974 ( -0.808 5.162 0.000) 5.225 15.517 ( -0.092 -2.615 0.000) 2.617 15.517 ( -0.092 2.615 0.000) 2.617 15.753 ( -5.200 -1.401 0.000) 5.385 15.753 ( -5.200 1.401 0.000) 5.385 15.939 ( 2.334 -0.271 0.000) 2.350 15.939 ( 2.334 0.271 0.000) 2.350 16.182 ( -5.351 -3.790 0.000) 6.558 16.182 ( -5.351 3.790 0.000) 6.558 16.549 ( 3.038 -2.813 0.000) 4.140 16.549 ( 3.038 2.813 0.000) 4.140 16.749 ( 0.339 -1.685 0.000) 1.719 16.749 ( 0.339 1.685 0.000) 1.719 16.984 ( -1.969 -1.526 0.000) 2.491 16.984 ( -1.969 1.526 0.000) 2.491 17.235 ( 0.647 -0.029 0.000) 0.648 17.235 ( 0.647 0.029 0.000) 0.648 17.242 ( -4.518 -5.333 0.000) 6.989 17.242 ( -4.518 5.333 0.000) 6.989 17.541 ( 1.127 -0.530 0.000) 1.245 17.541 ( 1.127 0.530 0.000) 1.245 18.253 ( -4.252 -6.513 0.000) 7.778 18.253 ( -4.252 6.513 0.000) 7.778 19.013 ( 0.394 -2.311 0.000) 2.345 19.013 ( 0.394 2.311 0.000) 2.345 19.513 ( 0.038 -0.920 0.000) 0.921 19.513 ( 0.038 0.920 0.000) 0.921 ======================= Grid point 39 (23/120) ======================= q-point: ( 0.29 -0.50 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( 22.415 -5.044 0.000) 22.976 3.825 ( 22.415 5.044 0.000) 22.976 4.196 ( 11.574 -10.318 0.000) 15.505 4.196 ( 11.574 10.318 0.000) 15.505 5.228 ( -16.863 -19.309 0.000) 25.636 5.228 ( -16.863 19.309 0.000) 25.636 5.485 ( -12.891 -13.363 0.000) 18.567 5.485 ( -12.891 13.363 0.000) 18.567 6.195 ( 1.390 -3.124 0.000) 3.419 6.195 ( 1.390 3.124 0.000) 3.419 6.445 ( -0.433 -1.571 0.000) 1.629 6.445 ( -0.433 1.571 0.000) 1.629 6.697 ( 5.635 -20.444 0.000) 21.207 6.697 ( 5.635 20.444 0.000) 21.207 7.341 ( 12.264 -7.508 0.000) 14.380 7.341 ( 12.264 7.508 0.000) 14.380 7.698 ( -9.807 -10.045 0.000) 14.039 7.698 ( -9.807 10.045 0.000) 14.039 7.810 ( 6.547 -6.007 0.000) 8.885 7.810 ( 6.547 6.007 0.000) 8.885 8.340 ( -3.409 -4.876 0.000) 5.949 8.340 ( -3.409 4.876 0.000) 5.949 8.414 ( -10.720 -0.778 0.000) 10.748 8.414 ( -10.720 0.778 0.000) 10.748 13.177 ( 5.234 -2.803 0.000) 5.937 13.177 ( 5.234 2.803 0.000) 5.937 13.381 ( 0.466 -3.168 0.000) 3.202 13.381 ( 0.466 3.168 0.000) 3.202 14.273 ( 19.561 -2.859 0.000) 19.769 14.273 ( 19.561 2.859 0.000) 19.769 14.526 ( 5.916 -1.656 0.000) 6.143 14.526 ( 5.916 1.656 0.000) 6.143 14.940 ( -2.878 -5.659 0.000) 6.349 14.940 ( -2.878 5.659 0.000) 6.349 15.415 ( -11.449 -0.150 0.000) 11.450 15.415 ( -11.449 0.150 0.000) 11.450 15.720 ( 2.862 -3.500 0.000) 4.521 15.720 ( 2.862 3.500 0.000) 4.521 15.956 ( -0.840 -0.128 0.000) 0.849 15.956 ( -0.840 0.128 0.000) 0.849 16.076 ( -4.939 -4.901 0.000) 6.958 16.076 ( -4.939 4.901 0.000) 6.958 16.607 ( 3.136 -3.408 0.000) 4.632 16.607 ( 3.136 3.408 0.000) 4.632 16.753 ( -0.070 -0.101 0.000) 0.123 16.753 ( -0.070 0.101 0.000) 0.123 16.957 ( -0.623 -0.792 0.000) 1.007 16.957 ( -0.623 0.792 0.000) 1.007 17.108 ( -7.550 -5.200 0.000) 9.167 17.108 ( -7.550 5.200 0.000) 9.167 17.275 ( 2.243 -0.098 0.000) 2.245 17.275 ( 2.243 0.098 0.000) 2.245 17.563 ( 1.092 -0.023 0.000) 1.092 17.563 ( 1.092 0.023 0.000) 1.092 18.143 ( -6.311 -4.716 0.000) 7.878 18.143 ( -6.311 4.716 0.000) 7.878 19.022 ( 0.484 -1.603 0.000) 1.674 19.022 ( 0.484 1.603 0.000) 1.674 19.514 ( 0.044 -0.650 0.000) 0.651 19.514 ( 0.044 0.650 0.000) 0.651 ======================= Grid point 41 (24/120) ======================= q-point: ( 0.43 -0.50 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( 11.453 -7.698 0.000) 13.800 4.184 ( 11.453 7.698 0.000) 13.800 4.452 ( 11.175 -4.951 0.000) 12.223 4.452 ( 11.175 4.951 0.000) 12.223 4.934 ( -10.402 -12.217 0.000) 16.045 4.934 ( -10.402 12.217 0.000) 16.045 5.240 ( -9.747 -9.924 0.000) 13.909 5.240 ( -9.747 9.924 0.000) 13.909 6.206 ( 0.087 -0.842 0.000) 0.846 6.206 ( 0.087 0.842 0.000) 0.846 6.439 ( -0.093 -1.963 0.000) 1.965 6.439 ( -0.093 1.963 0.000) 1.965 6.857 ( 8.595 -17.931 0.000) 19.885 6.857 ( 8.595 17.931 0.000) 19.885 7.304 ( -10.180 -11.810 0.000) 15.592 7.304 ( -10.180 11.810 0.000) 15.592 7.758 ( 10.817 -4.234 0.000) 11.616 7.758 ( 10.817 4.234 0.000) 11.616 7.915 ( 3.241 -1.936 0.000) 3.775 7.915 ( 3.241 1.936 0.000) 3.775 8.185 ( -10.575 -1.044 0.000) 10.626 8.185 ( -10.575 1.044 0.000) 10.626 8.279 ( -2.142 -2.280 0.000) 3.128 8.279 ( -2.142 2.280 0.000) 3.128 13.264 ( 2.831 -1.750 0.000) 3.328 13.264 ( 2.831 1.750 0.000) 3.328 13.383 ( -0.191 -2.017 0.000) 2.026 13.383 ( -0.191 2.017 0.000) 2.026 14.648 ( 6.119 -2.358 0.000) 6.558 14.648 ( 6.119 2.358 0.000) 6.558 14.691 ( 20.769 -0.149 0.000) 20.769 14.691 ( 20.769 0.149 0.000) 20.769 14.863 ( -4.138 -3.604 0.000) 5.487 14.863 ( -4.138 3.604 0.000) 5.487 15.106 ( -18.612 -0.654 0.000) 18.624 15.106 ( -18.612 0.654 0.000) 18.624 15.816 ( 5.538 -5.016 0.000) 7.472 15.816 ( 5.538 5.016 0.000) 7.472 15.918 ( -2.819 -1.486 0.000) 3.187 15.918 ( -2.819 1.486 0.000) 3.187 15.987 ( -3.568 -3.230 0.000) 4.813 15.987 ( -3.568 3.230 0.000) 4.813 16.676 ( 2.862 -1.763 0.000) 3.361 16.676 ( 2.862 1.763 0.000) 3.361 16.760 ( 1.533 -0.022 0.000) 1.533 16.760 ( 1.533 0.022 0.000) 1.533 16.915 ( -4.895 -0.951 0.000) 4.987 16.915 ( -4.895 0.951 0.000) 4.987 17.001 ( -1.421 -2.088 0.000) 2.525 17.001 ( -1.421 2.088 0.000) 2.525 17.314 ( 1.333 -0.122 0.000) 1.338 17.314 ( 1.333 0.122 0.000) 1.338 17.583 ( 0.753 -0.001 0.000) 0.753 17.583 ( 0.753 0.001 0.000) 0.753 18.036 ( -3.515 -1.795 0.000) 3.947 18.036 ( -3.515 1.795 0.000) 3.947 19.030 ( 0.214 -0.575 0.000) 0.613 19.030 ( 0.214 0.575 0.000) 0.613 19.515 ( 0.019 -0.236 0.000) 0.236 19.515 ( 0.019 0.236 0.000) 0.236 ======================= Grid point 77 (25/120) ======================= q-point: ( 0.00 0.00 0.11) 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| 0.725 ( 0.000 0.000 34.833) 34.833 0.925 ( 0.000 0.000 44.059) 44.059 1.472 ( 0.000 0.000 70.139) 70.139 4.203 ( 0.000 0.000 14.546) 14.546 4.510 ( 0.000 0.000 8.420) 8.420 5.315 ( 0.000 0.000 3.729) 3.729 5.515 ( 0.000 0.000 -11.792) 11.792 5.521 ( 0.000 0.000 -12.414) 12.414 5.749 ( 0.000 0.000 1.064) 1.064 6.098 ( 0.000 0.000 -15.144) 15.144 6.278 ( 0.000 0.000 7.256) 7.256 6.906 ( 0.000 0.000 -6.345) 6.345 6.926 ( 0.000 0.000 18.999) 18.999 6.978 ( 0.000 0.000 -11.194) 11.194 7.509 ( 0.000 0.000 -9.756) 9.756 7.648 ( 0.000 0.000 4.908) 4.908 7.774 ( 0.000 0.000 -7.780) 7.780 7.829 ( 0.000 0.000 -5.974) 5.974 8.242 ( 0.000 0.000 2.177) 2.177 8.428 ( 0.000 0.000 -5.551) 5.551 8.447 ( 0.000 0.000 0.079) 0.079 8.623 ( 0.000 0.000 4.496) 4.496 8.758 ( 0.000 0.000 -9.673) 9.673 9.350 ( 0.000 0.000 -5.094) 5.094 12.686 ( 0.000 0.000 6.266) 6.266 12.729 ( 0.000 0.000 11.891) 11.891 12.987 ( 0.000 0.000 5.348) 5.348 13.031 ( 0.000 0.000 -7.748) 7.748 13.678 ( 0.000 0.000 8.559) 8.559 13.818 ( 0.000 0.000 6.592) 6.592 13.860 ( 0.000 0.000 1.110) 1.110 14.502 ( 0.000 0.000 7.609) 7.609 14.604 ( 0.000 0.000 0.801) 0.801 15.014 ( 0.000 0.000 8.864) 8.864 15.381 ( 0.000 0.000 1.404) 1.404 15.555 ( 0.000 0.000 -2.622) 2.622 15.670 ( 0.000 0.000 -2.521) 2.521 15.897 ( 0.000 0.000 1.047) 1.047 16.165 ( 0.000 0.000 0.971) 0.971 16.292 ( 0.000 0.000 -2.218) 2.218 16.434 ( 0.000 0.000 3.670) 3.670 16.480 ( 0.000 0.000 -0.339) 0.339 16.566 ( 0.000 0.000 0.657) 0.657 16.601 ( 0.000 0.000 1.202) 1.202 16.705 ( 0.000 0.000 0.534) 0.534 16.747 ( 0.000 0.000 -0.760) 0.760 16.808 ( 0.000 0.000 -0.664) 0.664 17.082 ( 0.000 0.000 -2.301) 2.301 17.125 ( 0.000 0.000 -10.036) 10.036 17.265 ( 0.000 0.000 -10.684) 10.684 17.347 ( 0.000 0.000 -0.461) 0.461 17.472 ( 0.000 0.000 -0.693) 0.693 17.660 ( 0.000 0.000 4.038) 4.038 17.749 ( 0.000 0.000 7.405) 7.405 17.915 ( 0.000 0.000 0.971) 0.971 18.388 ( 0.000 0.000 -6.261) 6.261 19.274 ( 0.000 0.000 -2.415) 2.415 19.321 ( 0.000 0.000 -0.749) 0.749 19.474 ( 0.000 0.000 -2.793) 2.793 19.480 ( 0.000 0.000 -2.732) 2.732 ======================= Grid point 78 (26/120) ======================= q-point: ( 0.14 0.00 0.11) 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| 1.132 ( 19.259 0.000 36.218) 41.020 1.235 ( 29.501 0.000 30.840) 42.678 1.910 ( 45.795 0.000 46.628) 65.356 4.026 ( -18.402 0.000 12.480) 22.234 4.217 ( -26.170 0.000 10.082) 28.045 5.367 ( 4.343 0.000 0.095) 4.344 5.568 ( 4.698 0.000 -10.703) 11.688 5.584 ( 7.011 0.000 -8.117) 10.726 5.813 ( 6.954 0.000 -1.126) 7.044 6.126 ( -0.690 0.000 -14.286) 14.303 6.515 ( 19.867 0.000 6.514) 20.908 6.767 ( -11.620 0.000 -4.409) 12.428 6.873 ( -3.547 0.000 14.604) 15.028 6.964 ( -0.761 0.000 -9.751) 9.781 7.424 ( -8.265 0.000 -9.098) 12.292 7.605 ( -4.644 0.000 5.226) 6.991 7.690 ( -5.672 0.000 -11.452) 12.779 7.913 ( 5.341 0.000 -2.388) 5.851 8.194 ( -4.832 0.000 2.550) 5.464 8.409 ( -3.072 0.000 0.088) 3.073 8.520 ( 7.837 0.000 -4.438) 9.006 8.610 ( -1.151 0.000 3.375) 3.566 8.728 ( -2.788 0.000 -9.209) 9.622 9.322 ( -2.843 0.000 -4.992) 5.745 12.715 ( 3.080 0.000 6.571) 7.257 12.777 ( 4.259 0.000 10.931) 11.731 12.933 ( -0.620 0.000 -0.684) 0.923 13.098 ( 2.640 0.000 2.840) 3.877 13.751 ( 7.385 0.000 6.799) 10.038 13.887 ( 6.510 0.000 5.330) 8.414 13.970 ( 10.850 0.000 1.013) 10.897 14.462 ( -4.058 0.000 7.409) 8.447 14.608 ( 0.666 0.000 1.059) 1.250 15.000 ( -1.490 0.000 8.631) 8.759 15.319 ( -6.165 0.000 2.065) 6.502 15.613 ( -5.827 0.000 -2.365) 6.289 15.622 ( 6.317 0.000 -3.246) 7.102 15.904 ( 1.117 0.000 0.615) 1.275 16.175 ( 0.708 0.000 -0.391) 0.808 16.378 ( 6.524 0.000 -3.224) 7.277 16.428 ( -0.633 0.000 5.153) 5.192 16.450 ( -1.530 0.000 -0.077) 1.532 16.550 ( -3.178 0.000 -1.872) 3.688 16.608 ( 0.714 0.000 0.758) 1.042 16.747 ( -0.047 0.000 -0.385) 0.388 16.747 ( -3.082 0.000 -0.516) 3.125 16.836 ( 7.392 0.000 -4.894) 8.866 17.121 ( 3.935 0.000 -2.515) 4.670 17.139 ( 1.626 0.000 -9.401) 9.541 17.238 ( -2.768 0.000 -10.278) 10.645 17.333 ( -1.808 0.000 -0.485) 1.872 17.410 ( -5.674 0.000 0.184) 5.677 17.655 ( -0.742 0.000 4.381) 4.443 17.745 ( -0.088 0.000 6.204) 6.204 17.846 ( -5.706 0.000 2.848) 6.377 18.330 ( -5.695 0.000 -5.892) 8.195 19.288 ( 1.233 0.000 -2.563) 2.844 19.327 ( 0.574 0.000 -0.924) 1.088 19.452 ( -1.521 0.000 -1.668) 2.257 19.470 ( -1.023 0.000 -2.671) 2.860 ======================= Grid point 79 (27/120) ======================= q-point: ( 0.29 0.00 0.11) 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| 1.616 ( 28.420 0.000 25.851) 38.418 1.768 ( 27.111 0.000 32.827) 42.575 3.017 ( 59.265 0.000 21.336) 62.989 3.542 ( -28.096 0.000 15.680) 32.175 3.599 ( -34.382 0.000 12.423) 36.557 5.483 ( 7.280 0.000 -4.987) 8.824 5.684 ( 4.274 0.000 -7.198) 8.371 5.715 ( 4.496 0.000 -1.305) 4.681 5.890 ( -21.734 0.000 -3.919) 22.084 6.048 ( 16.481 0.000 -7.283) 18.018 6.491 ( -15.462 0.000 -7.496) 17.184 6.855 ( 7.828 0.000 -2.256) 8.146 6.934 ( 9.908 0.000 1.478) 10.018 7.049 ( 13.261 0.000 0.095) 13.261 7.206 ( -11.503 0.000 -6.181) 13.059 7.461 ( -9.664 0.000 6.091) 11.424 7.563 ( -7.306 0.000 -14.200) 15.969 8.015 ( 4.854 0.000 1.305) 5.027 8.048 ( -10.001 0.000 3.424) 10.571 8.324 ( -5.218 0.000 1.750) 5.503 8.587 ( -0.941 0.000 0.648) 1.142 8.663 ( -3.398 0.000 -7.795) 8.504 8.711 ( 10.660 0.000 -4.232) 11.469 9.238 ( -5.623 0.000 -4.740) 7.355 12.799 ( 4.985 0.000 6.518) 8.206 12.868 ( 4.242 0.000 9.520) 10.423 12.972 ( 3.848 0.000 -0.113) 3.850 13.128 ( 0.557 0.000 5.228) 5.258 13.877 ( 5.347 0.000 5.328) 7.549 14.127 ( 16.107 0.000 4.286) 16.667 14.263 ( 17.768 0.000 0.930) 17.792 14.350 ( -6.371 0.000 7.141) 9.570 14.650 ( 4.186 0.000 1.341) 4.396 14.944 ( -4.748 0.000 7.796) 9.128 15.147 ( -10.751 0.000 3.293) 11.244 15.435 ( -12.227 0.000 -1.838) 12.364 15.781 ( 8.983 0.000 -3.832) 9.766 15.955 ( 4.204 0.000 -0.286) 4.214 16.161 ( -2.889 0.000 -3.072) 4.217 16.335 ( -5.947 0.000 -0.930) 6.019 16.442 ( 2.781 0.000 3.800) 4.709 16.480 ( -2.360 0.000 3.328) 4.080 16.583 ( 7.370 0.000 -3.389) 8.112 16.634 ( 2.449 0.000 -1.717) 2.991 16.647 ( -5.908 0.000 1.395) 6.070 16.757 ( 2.232 0.000 0.904) 2.408 16.946 ( 1.346 0.000 -7.561) 7.680 17.154 ( -4.981 0.000 -8.303) 9.683 17.203 ( 4.557 0.000 -7.948) 9.161 17.212 ( -0.475 0.000 -0.479) 0.674 17.230 ( -1.457 0.000 -0.355) 1.500 17.341 ( -0.821 0.000 0.404) 0.915 17.614 ( -3.644 0.000 4.339) 5.666 17.715 ( -7.486 0.000 2.112) 7.778 17.763 ( 2.278 0.000 3.446) 4.131 18.175 ( -9.470 0.000 -4.702) 10.573 19.319 ( 1.844 0.000 -2.528) 3.129 19.344 ( 1.157 0.000 -1.331) 1.763 19.424 ( -1.360 0.000 -1.863) 2.307 19.442 ( -1.680 0.000 -2.484) 2.999 ======================= Grid point 80 (28/120) ======================= q-point: ( 0.43 0.00 0.11) 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| 2.227 ( 32.955 0.000 19.261) 38.171 2.333 ( 29.856 0.000 26.330) 39.807 2.904 ( -35.197 0.000 15.190) 38.335 2.937 ( -30.868 0.000 20.261) 36.923 4.171 ( 54.727 0.000 12.783) 56.200 5.151 ( -43.413 0.000 7.122) 43.993 5.633 ( 7.153 0.000 -6.091) 9.395 5.736 ( -2.484 0.000 -3.291) 4.124 5.920 ( 11.661 0.000 -8.776) 14.594 6.186 ( -14.857 0.000 -8.054) 16.900 6.421 ( 20.191 0.000 -9.368) 22.259 6.805 ( -16.617 0.000 -10.067) 19.428 7.034 ( 6.351 0.000 2.485) 6.820 7.173 ( 12.449 0.000 -9.223) 15.494 7.235 ( -11.586 0.000 5.553) 12.848 7.395 ( -9.825 0.000 -13.736) 16.888 7.458 ( 18.958 0.000 5.274) 19.678 7.800 ( -15.066 0.000 4.370) 15.687 8.110 ( 4.955 0.000 3.266) 5.934 8.214 ( -5.574 0.000 3.111) 6.383 8.581 ( 0.414 0.000 -2.529) 2.562 8.606 ( -2.166 0.000 -5.479) 5.892 8.920 ( 10.090 0.000 -4.249) 10.948 9.102 ( -8.154 0.000 -4.459) 9.294 12.889 ( 3.507 0.000 6.893) 7.734 12.920 ( 0.604 0.000 7.969) 7.992 13.057 ( 4.137 0.000 2.135) 4.656 13.118 ( -1.784 0.000 4.332) 4.685 14.000 ( 7.381 0.000 5.029) 8.931 14.163 ( -8.474 0.000 5.016) 9.847 14.505 ( 16.936 0.000 5.738) 17.881 14.619 ( 16.317 0.000 2.006) 16.440 14.791 ( -11.160 0.000 6.594) 12.963 14.793 ( 8.557 0.000 -0.408) 8.567 14.926 ( -8.594 0.000 4.426) 9.667 15.140 ( -16.873 0.000 -0.997) 16.903 15.945 ( 7.081 0.000 -4.004) 8.135 16.065 ( 6.586 0.000 -0.767) 6.630 16.068 ( -5.757 0.000 -3.682) 6.834 16.203 ( -7.087 0.000 -0.851) 7.138 16.462 ( 1.892 0.000 1.291) 2.291 16.534 ( -4.750 0.000 2.093) 5.191 16.582 ( 9.702 0.000 5.295) 11.052 16.644 ( 1.544 0.000 -1.297) 2.016 16.666 ( -0.439 0.000 -3.068) 3.099 16.815 ( -12.107 0.000 -1.057) 12.153 16.882 ( 8.345 0.000 -3.290) 8.970 17.033 ( -6.893 0.000 -6.711) 9.620 17.197 ( 3.000 0.000 -1.007) 3.164 17.255 ( -1.853 0.000 -3.318) 3.801 17.338 ( 8.564 0.000 -3.419) 9.222 17.399 ( 6.673 0.000 0.861) 6.729 17.505 ( -7.392 0.000 1.423) 7.528 17.555 ( -8.409 0.000 1.123) 8.484 17.839 ( 5.468 0.000 0.910) 5.543 17.984 ( -9.052 0.000 -2.242) 9.326 19.358 ( 1.980 0.000 -2.415) 3.123 19.372 ( 1.628 0.000 -1.783) 2.414 19.394 ( -1.695 0.000 -2.218) 2.792 19.407 ( -1.849 0.000 -2.181) 2.859 ======================= Grid point 84 (29/120) ======================= q-point: ( 0.00 0.10 0.11) 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| 0.917 ( 0.000 18.627 27.996) 33.626 0.984 ( 0.000 23.336 26.642) 35.417 2.151 ( 0.000 50.572 52.980) 73.242 4.245 ( 0.000 5.102 9.843) 11.087 4.650 ( 0.000 13.157 10.269) 16.690 5.183 ( 0.000 -11.725 3.603) 12.266 5.508 ( 0.000 -2.265 -7.077) 7.431 5.594 ( 0.000 5.684 -11.247) 12.601 5.746 ( 0.000 1.116 -3.008) 3.208 6.022 ( 0.000 -6.240 -3.620) 7.214 6.298 ( 0.000 3.306 -2.912) 4.406 6.788 ( 0.000 -10.731 -5.200) 11.925 6.889 ( 0.000 -6.303 -7.526) 9.817 7.102 ( 0.000 13.119 13.301) 18.682 7.510 ( 0.000 -12.126 1.667) 12.240 7.569 ( 0.000 4.747 -12.290) 13.175 7.815 ( 0.000 3.675 -8.096) 8.891 7.844 ( 0.000 -0.777 -4.471) 4.539 8.143 ( 0.000 -9.413 2.458) 9.728 8.445 ( 0.000 -0.334 0.642) 0.724 8.474 ( 0.000 4.106 -6.417) 7.618 8.589 ( 0.000 -3.365 5.822) 6.724 8.763 ( 0.000 0.181 -7.858) 7.860 9.231 ( 0.000 -12.215 -4.750) 13.106 12.700 ( 0.000 1.429 5.451) 5.635 12.754 ( 0.000 2.632 11.123) 11.430 13.032 ( 0.000 1.743 -5.770) 6.028 13.039 ( 0.000 4.962 4.190) 6.495 13.678 ( 0.000 0.668 8.283) 8.310 13.803 ( 0.000 -4.463 1.479) 4.702 13.876 ( 0.000 5.466 6.188) 8.257 14.588 ( 0.000 -1.450 1.192) 1.877 14.632 ( 0.000 11.961 6.125) 13.438 15.070 ( 0.000 5.222 7.258) 8.941 15.396 ( 0.000 -0.009 1.049) 1.049 15.493 ( 0.000 -5.490 -2.675) 6.107 15.668 ( 0.000 -0.512 -2.997) 3.040 15.877 ( 0.000 -2.256 0.705) 2.364 16.114 ( 0.000 -3.667 1.284) 3.886 16.158 ( 0.000 -10.418 3.078) 10.863 16.472 ( 0.000 0.615 -1.730) 1.837 16.494 ( 0.000 2.808 -0.048) 2.809 16.623 ( 0.000 2.211 1.758) 2.825 16.629 ( 0.000 4.851 1.610) 5.111 16.656 ( 0.000 -2.822 -0.118) 2.824 16.769 ( 0.000 -3.070 -1.262) 3.319 16.840 ( 0.000 4.297 -1.177) 4.456 17.068 ( 0.000 0.332 -4.086) 4.099 17.151 ( 0.000 1.348 -4.954) 5.134 17.241 ( 0.000 -2.020 -8.516) 8.752 17.350 ( 0.000 0.045 -1.122) 1.122 17.534 ( 0.000 6.126 -1.017) 6.210 17.645 ( 0.000 -1.651 2.731) 3.191 17.738 ( 0.000 -1.134 6.827) 6.921 17.822 ( 0.000 -6.247 2.741) 6.822 18.454 ( 0.000 2.706 -9.229) 9.617 19.240 ( 0.000 -3.381 -2.002) 3.929 19.329 ( 0.000 0.497 -0.896) 1.024 19.435 ( 0.000 -2.919 -1.161) 3.142 19.485 ( 0.000 0.417 -2.577) 2.611 ======================= Grid point 85 (30/120) ======================= q-point: ( 0.14 0.10 0.11) 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| 1.133 ( 19.969 15.860 22.198) 33.809 1.511 ( 37.188 17.853 19.657) 45.696 2.400 ( 27.401 42.797 45.773) 68.393 4.042 ( -19.696 3.965 8.504) 21.817 4.368 ( -24.381 13.250 12.440) 30.409 5.264 ( 6.635 -9.636 1.772) 11.833 5.525 ( 2.737 -3.403 -7.835) 8.970 5.648 ( 4.548 3.778 -6.914) 9.097 5.832 ( 9.012 2.722 -5.385) 10.845 6.107 ( 3.164 -1.646 -7.142) 7.983 6.482 ( 16.483 -0.411 -0.321) 16.491 6.674 ( -10.416 -9.215 -5.601) 14.993 6.866 ( -1.645 -6.254 -5.733) 8.642 7.044 ( -3.831 11.483 11.419) 16.641 7.469 ( -5.732 -5.411 -1.369) 8.001 7.505 ( -5.425 -0.577 -7.369) 9.169 7.715 ( -5.961 1.979 -11.400) 13.016 7.906 ( 1.866 -2.679 -1.504) 3.594 8.116 ( -2.004 -6.005 2.597) 6.843 8.412 ( -2.859 0.272 0.956) 3.027 8.537 ( 4.971 1.022 -5.219) 7.280 8.583 ( -0.043 -2.514 3.972) 4.701 8.733 ( -2.596 0.320 -6.882) 7.362 9.208 ( -2.363 -11.735 -4.641) 12.839 12.730 ( 3.089 1.547 5.516) 6.508 12.799 ( 3.990 2.323 10.390) 11.370 12.974 ( -0.389 4.005 -1.963) 4.477 13.129 ( 3.434 3.383 2.751) 5.550 13.776 ( 9.058 2.341 6.424) 11.349 13.896 ( 7.932 -2.628 2.294) 8.666 13.931 ( 7.127 1.646 4.547) 8.612 14.574 ( -2.088 4.373 3.453) 5.951 14.615 ( -0.530 6.402 3.840) 7.484 15.054 ( -1.794 4.881 6.799) 8.559 15.317 ( -6.734 -0.824 2.480) 7.224 15.554 ( 2.404 -4.102 -2.201) 5.239 15.629 ( -1.541 -0.754 -4.022) 4.372 15.887 ( 1.322 -1.880 0.584) 2.371 16.116 ( 0.638 -4.679 0.548) 4.754 16.238 ( 6.236 -10.321 4.468) 12.860 16.462 ( -1.869 2.185 -2.493) 3.806 16.481 ( -1.190 0.057 -1.733) 2.103 16.548 ( -2.994 2.034 2.776) 4.561 16.617 ( -0.668 0.405 1.361) 1.570 16.713 ( -1.387 -2.119 -1.877) 3.152 16.822 ( 3.154 1.628 -1.338) 3.793 16.833 ( 3.080 2.430 -1.759) 4.299 17.087 ( 2.081 -0.908 -4.706) 5.226 17.170 ( 1.880 0.606 -4.845) 5.232 17.222 ( -1.695 -0.986 -8.040) 8.276 17.331 ( -2.111 -0.212 -0.583) 2.201 17.466 ( -6.206 5.357 0.063) 8.199 17.645 ( -0.165 -1.153 3.116) 3.327 17.730 ( -0.592 -1.537 5.298) 5.548 17.790 ( -3.024 -3.944 2.591) 5.605 18.376 ( -7.269 2.433 -7.279) 10.571 19.251 ( 1.117 -3.488 -2.085) 4.214 19.332 ( 0.299 0.179 -1.042) 1.099 19.426 ( -0.731 -2.091 -1.161) 2.501 19.477 ( -0.821 0.582 -2.533) 2.726 ======================= Grid point 86 (31/120) ======================= q-point: ( 0.29 0.10 0.11) 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| 1.626 ( 28.591 11.437 15.836) 34.627 2.127 ( 26.428 24.513 25.526) 44.170 3.235 ( 51.860 22.626 24.840) 61.793 3.530 ( -30.184 4.231 8.562) 31.659 3.813 ( -29.812 16.291 16.416) 37.731 5.418 ( 8.527 -6.905 -2.750) 11.311 5.612 ( 5.001 -6.177 -5.557) 9.698 5.732 ( 1.171 2.121 -3.063) 3.905 5.908 ( -14.844 1.317 -0.727) 14.920 6.144 ( 14.171 8.804 -10.117) 19.511 6.416 ( -14.109 -6.802 -6.372) 16.910 6.791 ( 7.326 -5.543 -4.204) 10.103 6.915 ( 11.826 -4.187 -2.494) 12.791 7.073 ( 7.831 3.859 4.554) 9.846 7.266 ( -12.950 4.433 -7.236) 15.483 7.365 ( -9.405 -8.360 2.564) 12.842 7.595 ( -6.258 2.429 -13.856) 15.397 7.867 ( -6.214 -10.823 1.674) 12.592 8.106 ( 1.492 2.547 3.113) 4.290 8.337 ( -4.543 1.160 2.654) 5.388 8.558 ( -0.517 -2.787 1.349) 3.139 8.633 ( -0.924 -2.424 -7.820) 8.239 8.726 ( 5.588 0.266 -2.764) 6.240 9.138 ( -4.679 -10.315 -4.375) 12.142 12.814 ( 4.959 1.600 5.479) 7.561 12.883 ( 3.853 1.768 8.892) 9.851 13.016 ( 4.001 4.188 -0.601) 5.823 13.169 ( 0.857 3.963 4.373) 5.963 13.921 ( 5.414 4.470 5.044) 8.645 14.124 ( 13.421 -1.943 2.439) 13.778 14.174 ( 15.180 -1.740 3.885) 15.765 14.517 ( -1.067 10.864 3.546) 11.478 14.648 ( 4.167 0.483 2.620) 4.946 14.987 ( -5.517 3.606 5.373) 8.504 15.147 ( -10.101 0.293 4.282) 10.975 15.420 ( -11.961 -1.364 -1.857) 12.180 15.747 ( 8.780 -3.309 -4.322) 10.330 15.939 ( 3.898 -1.657 -0.118) 4.237 16.120 ( -1.026 -3.555 -1.274) 3.913 16.304 ( -2.298 -5.914 3.856) 7.425 16.427 ( -1.349 -2.951 3.536) 4.800 16.452 ( 1.328 1.897 -1.544) 2.783 16.534 ( -0.507 -4.015 -0.765) 4.119 16.607 ( 1.289 -0.598 0.772) 1.618 16.678 ( -1.191 1.530 -1.868) 2.693 16.812 ( -0.079 3.761 1.108) 3.922 16.949 ( 3.705 -0.245 -5.883) 6.957 17.133 ( -1.690 -1.842 -6.339) 6.814 17.162 ( 0.941 -2.171 -7.902) 8.248 17.225 ( -6.351 0.402 0.462) 6.381 17.262 ( 3.733 1.517 -1.425) 4.274 17.370 ( -1.583 3.337 1.480) 3.979 17.623 ( -2.501 0.588 3.524) 4.361 17.684 ( -5.463 -2.290 0.596) 5.953 17.755 ( 1.466 -1.019 3.369) 3.813 18.193 ( -10.652 1.232 -4.998) 11.831 19.280 ( 1.680 -3.616 -2.139) 4.524 19.339 ( 0.325 -1.017 -1.442) 1.794 19.413 ( -0.527 -0.664 -1.460) 1.688 19.455 ( -1.312 1.004 -2.333) 2.859 ======================= Grid point 87 (32/120) ======================= q-point: ( 0.43 0.10 0.11) 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| 2.231 ( 32.068 8.253 12.081) 35.248 2.639 ( 24.450 22.077 24.178) 40.863 2.899 ( -30.552 7.652 10.357) 33.155 3.216 ( -29.380 20.145 20.545) 41.123 4.294 ( 51.799 12.817 14.150) 55.206 5.225 ( -40.854 7.497 7.738) 42.251 5.583 ( 7.294 -5.223 -5.049) 10.295 5.676 ( -1.103 -5.452 -3.188) 6.411 5.905 ( 8.875 -1.284 -7.311) 11.570 6.133 ( -13.374 -4.549 -7.268) 15.886 6.511 ( 19.786 8.160 -10.951) 24.042 6.858 ( -6.994 1.243 -8.731) 11.256 6.971 ( -2.907 -3.376 -1.009) 4.568 7.145 ( -11.620 -8.648 3.595) 14.924 7.187 ( 11.626 0.437 -7.894) 14.060 7.310 ( 5.778 -6.274 -0.622) 8.552 7.493 ( 0.408 2.174 -8.203) 8.496 7.683 ( -11.663 -9.586 2.289) 15.269 8.160 ( 3.593 3.609 4.344) 6.694 8.243 ( -4.665 2.452 4.126) 6.693 8.558 ( 0.636 -2.285 -1.759) 2.953 8.587 ( -2.230 -1.992 -4.909) 5.747 8.877 ( 8.033 -4.626 -3.659) 9.966 9.025 ( -6.730 -7.981 -4.058) 11.201 12.902 ( 3.348 1.492 6.079) 7.098 12.931 ( 0.592 1.390 7.272) 7.427 13.103 ( 4.156 4.327 1.623) 6.215 13.162 ( -1.648 4.273 3.565) 5.804 14.041 ( 6.965 4.153 4.512) 9.280 14.180 ( -5.670 1.771 4.452) 7.423 14.516 ( 17.114 1.192 3.467) 17.502 14.664 ( 12.895 4.176 2.772) 13.835 14.781 ( 1.810 0.670 2.200) 2.927 14.837 ( -2.088 2.005 2.112) 3.583 14.935 ( -10.291 1.902 5.438) 11.794 15.130 ( -16.571 -0.881 -1.035) 16.627 15.908 ( 6.921 -3.360 -3.685) 8.530 16.003 ( -0.828 -3.454 -1.588) 3.891 16.094 ( 2.040 -0.255 -1.829) 2.752 16.201 ( -6.412 -1.120 -0.207) 6.513 16.422 ( 1.577 -4.246 3.944) 6.006 16.477 ( -3.362 -6.144 3.333) 7.756 16.547 ( 6.024 -0.265 0.589) 6.058 16.639 ( -2.279 -0.647 -1.482) 2.794 16.693 ( 4.822 1.766 -1.080) 5.248 16.808 ( -3.487 1.014 1.826) 4.064 16.946 ( -0.493 3.436 -5.229) 6.276 17.020 ( -6.008 -0.917 -5.203) 8.001 17.167 ( 1.779 -2.733 -2.241) 3.957 17.202 ( -0.388 -3.803 -4.512) 5.913 17.377 ( 6.499 0.563 -1.021) 6.603 17.407 ( 4.665 1.916 2.294) 5.540 17.539 ( -5.530 2.515 -0.098) 6.076 17.560 ( -6.215 1.575 1.560) 6.598 17.826 ( 5.668 -1.280 0.493) 5.831 17.982 ( -9.913 -0.241 -2.591) 10.249 19.314 ( 1.599 -3.666 -2.109) 4.522 19.337 ( -0.660 -3.016 -1.899) 3.625 19.410 ( 0.429 1.149 -1.714) 2.107 19.428 ( -1.250 1.450 -2.020) 2.783 ======================= Grid point 91 (33/120) ======================= q-point: ( 0.00 0.20 0.11) 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| 1.522 ( 0.000 30.763 18.903) 36.106 1.550 ( 0.000 40.149 1.557) 40.180 3.205 ( 0.000 56.685 38.640) 68.602 4.418 ( 0.000 12.757 2.960) 13.096 4.893 ( 0.000 -17.799 5.611) 18.663 4.960 ( 0.000 16.596 8.320) 18.565 5.386 ( 0.000 -8.855 2.454) 9.189 5.689 ( 0.000 2.638 -5.562) 6.156 5.842 ( 0.000 8.575 -9.348) 12.686 5.956 ( 0.000 1.833 -3.216) 3.702 6.403 ( 0.000 7.042 -9.304) 11.668 6.538 ( 0.000 -14.314 -3.371) 14.706 6.707 ( 0.000 -12.060 -8.049) 14.499 7.233 ( 0.000 -15.142 -0.029) 15.142 7.364 ( 0.000 10.214 5.708) 11.701 7.643 ( 0.000 1.995 -17.035) 17.151 7.801 ( 0.000 -1.446 1.697) 2.230 7.805 ( 0.000 -11.457 -7.176) 13.519 7.997 ( 0.000 1.205 0.710) 1.399 8.438 ( 0.000 -0.224 2.508) 2.518 8.505 ( 0.000 -4.960 8.706) 10.020 8.535 ( 0.000 1.014 -10.140) 10.191 8.775 ( 0.000 1.367 -1.297) 1.884 8.886 ( 0.000 -22.895 -3.443) 23.153 12.743 ( 0.000 3.061 3.384) 4.563 12.830 ( 0.000 5.132 8.755) 10.148 13.103 ( 0.000 4.892 -7.704) 9.126 13.152 ( 0.000 5.891 1.355) 6.045 13.713 ( 0.000 3.048 7.285) 7.897 13.726 ( 0.000 -2.715 1.015) 2.899 14.017 ( 0.000 8.592 5.172) 10.028 14.556 ( 0.000 -1.798 1.301) 2.219 14.908 ( 0.000 15.308 3.205) 15.640 15.167 ( 0.000 2.395 1.231) 2.693 15.382 ( 0.000 -4.958 -2.647) 5.621 15.387 ( 0.000 1.175 6.977) 7.075 15.642 ( 0.000 -2.483 -4.034) 4.736 15.813 ( 0.000 -3.905 -0.799) 3.986 15.955 ( 0.000 -9.255 7.438) 11.874 16.062 ( 0.000 -1.567 3.356) 3.704 16.467 ( 0.000 -0.544 -1.949) 2.024 16.550 ( 0.000 1.738 1.734) 2.455 16.573 ( 0.000 -6.263 -3.149) 7.010 16.677 ( 0.000 2.743 1.144) 2.972 16.702 ( 0.000 -3.090 1.055) 3.265 16.721 ( 0.000 4.970 0.488) 4.994 16.891 ( 0.000 1.246 -1.222) 1.745 17.090 ( 0.000 0.432 -2.627) 2.662 17.179 ( 0.000 2.267 -0.017) 2.267 17.205 ( 0.000 -1.308 -4.999) 5.167 17.342 ( 0.000 -0.925 -0.285) 0.968 17.591 ( 0.000 -3.978 -0.604) 4.023 17.675 ( 0.000 3.813 2.138) 4.371 17.707 ( 0.000 -5.627 2.238) 6.056 17.719 ( 0.000 3.331 1.362) 3.599 18.463 ( 0.000 -1.165 -7.069) 7.165 19.156 ( 0.000 -4.864 -0.814) 4.932 19.309 ( 0.000 -3.440 -0.463) 3.471 19.404 ( 0.000 0.443 -0.889) 0.993 19.494 ( 0.000 0.511 -2.261) 2.318 ======================= Grid point 92 (34/120) ======================= q-point: ( 0.14 0.20 0.11) 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| 1.688 ( 13.663 36.772 2.176) 39.288 1.923 ( 33.588 24.601 14.662) 44.140 3.354 ( 15.805 53.237 36.240) 66.312 4.211 ( -19.395 13.260 2.436) 23.620 4.650 ( -20.835 12.173 10.749) 26.416 5.048 ( 7.596 -9.652 5.228) 13.349 5.382 ( 1.699 -11.397 -1.431) 11.611 5.751 ( 1.543 7.183 -7.035) 10.172 5.892 ( 8.715 1.731 -3.206) 9.446 6.126 ( 11.135 5.748 -6.380) 14.062 6.451 ( -7.517 -12.175 -4.116) 14.889 6.536 ( 10.350 3.451 -9.162) 14.247 6.679 ( -1.206 -11.248 -7.071) 13.341 7.204 ( -3.520 -14.049 1.421) 14.553 7.287 ( -6.467 8.600 7.301) 13.003 7.569 ( -7.414 1.207 -15.805) 17.500 7.713 ( -5.992 -4.728 -0.854) 7.681 7.784 ( -2.599 -5.934 -10.613) 12.434 8.060 ( 4.310 0.784 3.484) 5.597 8.418 ( -1.983 0.488 2.832) 3.492 8.495 ( -0.651 -4.713 6.656) 8.181 8.557 ( 1.727 -1.194 -8.501) 8.756 8.742 ( -2.866 0.598 -0.677) 3.005 8.877 ( -1.009 -21.951 -3.319) 22.223 12.776 ( 3.329 3.307 3.183) 5.670 12.868 ( 3.452 4.741 8.370) 10.220 13.072 ( -0.083 5.606 -4.499) 7.189 13.219 ( 3.504 5.249 0.714) 6.352 13.825 ( 9.958 -2.021 1.324) 10.247 13.834 ( 10.964 2.933 4.603) 12.248 14.043 ( 2.985 7.977 4.610) 9.685 14.564 ( 1.092 -1.378 1.834) 2.541 14.868 ( -3.876 14.491 2.887) 15.276 15.134 ( -3.462 1.000 0.717) 3.674 15.304 ( -4.422 1.439 5.337) 7.079 15.482 ( 5.055 -2.486 0.630) 5.668 15.596 ( -3.946 -2.579 -5.453) 7.208 15.829 ( 1.952 -3.856 -0.214) 4.327 16.017 ( 5.009 -8.083 7.138) 11.890 16.064 ( 0.652 -3.729 3.791) 5.357 16.434 ( -2.853 -1.941 -1.787) 3.886 16.528 ( -3.758 -0.376 0.086) 3.777 16.555 ( -0.495 -3.943 -0.023) 3.974 16.616 ( -3.390 3.436 1.317) 5.003 16.702 ( 1.088 0.977 -1.311) 1.964 16.822 ( 5.907 0.114 -0.038) 5.908 16.886 ( -0.463 1.403 -1.006) 1.787 17.092 ( 0.453 0.140 -2.831) 2.870 17.151 ( -2.318 -1.114 -3.576) 4.404 17.225 ( 1.696 0.907 -1.579) 2.488 17.321 ( -2.127 -0.878 0.221) 2.311 17.555 ( -6.100 -0.222 -0.739) 6.148 17.618 ( -1.103 -0.374 1.547) 1.936 17.689 ( -0.443 -2.123 3.697) 4.286 17.748 ( -0.053 1.430 0.294) 1.461 18.391 ( -7.004 -0.630 -6.258) 9.413 19.166 ( 1.028 -4.900 -0.880) 5.083 19.303 ( -0.533 -3.631 -0.576) 3.715 19.407 ( 0.374 0.711 -1.001) 1.284 19.489 ( -0.523 0.651 -2.216) 2.369 ======================= Grid point 93 (35/120) ======================= q-point: ( 0.29 0.20 0.11) 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| 2.057 ( 22.748 30.385 2.098) 38.015 2.595 ( 30.827 23.585 15.219) 41.691 3.725 ( -27.198 15.672 2.253) 31.471 3.862 ( 34.069 40.054 26.720) 58.983 4.174 ( -25.380 19.824 14.690) 35.397 5.236 ( 10.532 -10.955 0.537) 15.206 5.450 ( 4.123 -11.120 -2.188) 12.060 5.796 ( 3.115 4.371 -4.953) 7.304 5.947 ( -9.682 2.672 2.834) 10.436 6.251 ( -10.637 -8.493 -4.932) 14.478 6.357 ( 13.817 11.151 -12.093) 21.483 6.603 ( -0.016 -13.849 -4.694) 14.623 6.859 ( 14.854 0.012 -7.409) 16.599 7.088 ( -8.177 -14.762 3.010) 17.142 7.183 ( -1.852 4.212 5.851) 7.443 7.375 ( -11.759 1.610 -14.130) 18.453 7.594 ( -5.939 -4.487 -3.985) 8.443 7.699 ( -5.962 -2.247 -12.156) 13.725 8.139 ( 3.727 0.722 5.470) 6.658 8.362 ( -3.519 1.354 4.217) 5.657 8.487 ( -0.053 -4.513 4.090) 6.091 8.575 ( -0.872 -3.602 -7.280) 8.169 8.699 ( -0.228 -3.146 -0.153) 3.158 8.846 ( -2.106 -19.358 -3.079) 19.714 12.864 ( 5.053 3.592 3.193) 6.973 12.942 ( 3.347 4.243 7.175) 8.983 13.115 ( 4.022 5.609 -2.370) 7.298 13.265 ( 1.173 5.368 2.049) 5.864 14.029 ( 7.434 4.548 2.508) 9.068 14.084 ( 12.459 1.299 2.717) 12.818 14.208 ( 15.660 3.455 1.368) 16.095 14.618 ( 4.881 0.201 2.303) 5.401 14.778 ( -4.038 11.382 2.751) 12.386 15.023 ( -7.751 -0.652 0.114) 7.779 15.198 ( -6.704 5.538 6.477) 10.843 15.394 ( -11.530 -1.006 -1.443) 11.663 15.668 ( 8.508 -4.206 -3.825) 10.233 15.890 ( 3.940 -3.351 -0.334) 5.183 16.059 ( -0.153 -2.267 2.316) 3.244 16.129 ( 3.445 -10.153 8.301) 13.559 16.374 ( -2.877 -2.825 0.140) 4.034 16.405 ( -6.141 -5.929 -0.338) 8.543 16.561 ( -0.934 3.783 0.236) 3.904 16.604 ( 3.623 1.391 2.125) 4.425 16.700 ( -1.433 0.675 -2.679) 3.112 16.865 ( -1.230 1.386 0.860) 2.043 16.933 ( 4.131 -1.259 -2.593) 5.037 17.095 ( -2.694 -2.449 -4.861) 6.074 17.115 ( 1.591 -1.985 -4.060) 4.791 17.228 ( -7.374 0.023 -0.033) 7.374 17.283 ( 3.287 0.702 0.258) 3.371 17.432 ( -3.465 1.075 2.343) 4.319 17.620 ( 0.111 -1.159 1.163) 1.645 17.666 ( -2.523 0.705 -0.232) 2.630 17.736 ( 0.371 0.388 1.406) 1.505 18.206 ( -11.143 0.060 -4.738) 12.109 19.194 ( 1.674 -4.922 -1.002) 5.294 19.288 ( -1.021 -4.084 -0.821) 4.289 19.418 ( 0.726 1.162 -1.256) 1.859 19.475 ( -0.894 0.993 -2.061) 2.456 ======================= Grid point 94 (36/120) ======================= q-point: ( 0.43 0.20 0.11) 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| 2.560 ( 27.588 24.331 2.192) 36.849 3.070 ( -3.373 22.433 10.128) 24.844 3.218 ( -0.839 23.158 9.812) 25.165 3.657 ( -25.558 24.203 16.946) 39.066 4.665 ( 42.427 25.038 16.405) 51.924 5.400 ( -18.482 4.769 5.115) 19.760 5.439 ( 3.479 -8.326 -3.637) 9.729 5.569 ( -11.057 -1.289 3.390) 11.637 5.882 ( 5.285 -0.840 -6.317) 8.278 6.036 ( -9.988 -5.294 -5.571) 12.603 6.651 ( 9.874 -8.867 -3.472) 13.717 6.708 ( 15.051 1.807 -9.426) 17.851 6.880 ( -11.134 -14.964 3.915) 19.058 7.031 ( -8.656 -0.473 -10.317) 13.475 7.187 ( 2.461 0.286 -6.020) 6.510 7.224 ( 2.926 -1.347 -2.473) 4.062 7.499 ( -2.398 -3.307 -5.092) 6.528 7.560 ( -7.205 1.001 -12.292) 14.284 8.212 ( 3.684 1.210 6.109) 7.235 8.287 ( -3.905 1.619 5.598) 7.014 8.497 ( 1.108 -3.981 0.725) 4.195 8.532 ( -2.426 -3.540 -2.855) 5.155 8.734 ( 2.910 -10.079 -2.267) 10.733 8.795 ( -2.978 -15.432 -2.859) 15.974 12.952 ( 3.299 3.732 4.052) 6.421 12.982 ( 0.395 3.888 5.513) 6.758 13.204 ( 4.220 5.556 -0.135) 6.979 13.263 ( -1.516 5.517 1.509) 5.917 14.153 ( 6.050 7.124 2.944) 9.800 14.233 ( 0.327 3.958 3.171) 5.082 14.547 ( 15.842 1.726 -1.111) 15.974 14.737 ( 2.729 1.587 -0.329) 3.175 14.811 ( 7.437 2.115 3.181) 8.361 14.870 ( -1.039 3.362 1.481) 3.818 15.018 ( -11.587 5.530 4.676) 13.665 15.119 ( -15.295 0.381 0.510) 15.308 15.831 ( 7.301 -4.284 -2.660) 8.874 15.936 ( -1.920 -3.681 -1.021) 4.275 16.058 ( 2.394 -3.013 0.806) 3.932 16.131 ( -2.961 -5.796 4.458) 7.889 16.332 ( -1.163 -4.344 3.704) 5.826 16.333 ( -1.296 -7.656 3.478) 8.509 16.579 ( 2.806 2.589 -1.502) 4.103 16.645 ( -3.113 1.027 -1.985) 3.833 16.720 ( 6.910 1.442 1.831) 7.292 16.832 ( -2.823 0.808 2.967) 4.174 16.963 ( -0.157 -1.112 -3.829) 3.990 17.027 ( -7.350 1.277 -3.934) 8.434 17.103 ( 0.802 -3.763 -2.341) 4.504 17.131 ( -0.587 -3.314 -3.908) 5.158 17.365 ( 4.278 -0.969 1.327) 4.582 17.418 ( -0.265 -1.327 2.929) 3.227 17.604 ( -1.639 3.607 -0.445) 3.986 17.609 ( -1.575 2.407 0.356) 2.898 17.800 ( 6.220 -0.709 -0.641) 6.293 17.977 ( -11.132 0.060 -3.056) 11.544 19.229 ( 1.810 -4.820 -1.066) 5.258 19.263 ( -1.513 -4.536 -1.012) 4.888 19.435 ( 0.961 1.399 -1.543) 2.294 19.455 ( -1.031 1.313 -1.820) 2.469 ======================= Grid point 98 (37/120) ======================= q-point: ( 0.00 0.30 0.11) 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| 2.143 ( 0.000 32.864 14.963) 36.110 2.349 ( 0.000 41.102 -3.344) 41.238 4.279 ( 0.000 43.633 20.512) 48.214 4.539 ( 0.000 -8.507 13.108) 15.626 4.707 ( 0.000 13.674 0.163) 13.675 4.998 ( 0.000 -11.915 -4.571) 12.761 5.463 ( 0.000 18.549 11.802) 21.985 5.695 ( 0.000 -0.307 2.103) 2.125 6.052 ( 0.000 12.562 -10.119) 16.131 6.102 ( 0.000 11.366 -9.960) 15.113 6.256 ( 0.000 -14.327 -1.551) 14.411 6.412 ( 0.000 -15.165 -7.272) 16.819 6.575 ( 0.000 7.371 -10.330) 12.690 6.929 ( 0.000 -15.731 -1.593) 15.812 7.396 ( 0.000 -5.975 -10.634) 12.197 7.479 ( 0.000 -19.087 -4.412) 19.590 7.620 ( 0.000 -4.742 -20.512) 21.054 7.893 ( 0.000 10.148 15.572) 18.587 8.056 ( 0.000 -3.218 -2.412) 4.022 8.323 ( 0.000 -19.043 -1.467) 19.100 8.427 ( 0.000 -3.154 9.710) 10.209 8.500 ( 0.000 -3.440 5.276) 6.298 8.509 ( 0.000 -3.089 -10.652) 11.091 8.800 ( 0.000 0.402 2.379) 2.413 12.820 ( 0.000 4.796 0.913) 4.883 12.943 ( 0.000 6.045 4.687) 7.649 13.197 ( 0.000 4.361 -10.403) 11.280 13.240 ( 0.000 2.712 -1.726) 3.214 13.712 ( 0.000 1.352 0.121) 1.357 13.791 ( 0.000 4.691 6.491) 8.008 14.183 ( 0.000 7.898 3.542) 8.656 14.513 ( 0.000 -2.924 0.120) 2.927 15.118 ( 0.000 -5.440 0.608) 5.474 15.142 ( 0.000 5.068 -2.529) 5.664 15.363 ( 0.000 5.346 0.340) 5.357 15.489 ( 0.000 7.409 7.405) 10.475 15.565 ( 0.000 -4.239 -2.035) 4.703 15.748 ( 0.000 -2.133 -1.836) 2.814 15.851 ( 0.000 -1.046 8.366) 8.431 16.041 ( 0.000 -1.099 5.798) 5.901 16.425 ( 0.000 -8.334 -5.480) 9.974 16.449 ( 0.000 -1.752 -1.811) 2.520 16.552 ( 0.000 -1.104 3.908) 4.061 16.650 ( 0.000 -2.469 4.589) 5.211 16.705 ( 0.000 0.375 0.472) 0.603 16.834 ( 0.000 6.249 -0.171) 6.251 16.898 ( 0.000 -0.610 -0.390) 0.724 17.072 ( 0.000 -1.564 0.042) 1.564 17.201 ( 0.000 0.969 -1.016) 1.404 17.228 ( 0.000 1.896 1.388) 2.350 17.316 ( 0.000 -1.619 1.824) 2.439 17.504 ( 0.000 -4.232 -3.041) 5.211 17.599 ( 0.000 -5.572 2.593) 6.146 17.635 ( 0.000 -3.437 3.461) 4.877 17.898 ( 0.000 10.387 -3.186) 10.864 18.425 ( 0.000 -2.719 -5.512) 6.146 19.068 ( 0.000 -3.835 0.786) 3.915 19.216 ( 0.000 -5.456 0.877) 5.526 19.432 ( 0.000 1.922 -1.354) 2.352 19.503 ( 0.000 0.343 -1.985) 2.015 ======================= Grid point 99 (38/120) ======================= q-point: ( 0.14 0.30 0.11) 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| 2.434 ( 20.507 33.547 8.553) 40.238 2.452 ( 16.013 34.610 1.097) 38.150 4.381 ( 10.357 43.358 20.227) 48.952 4.526 ( -16.171 17.146 -0.670) 23.578 4.592 ( 2.428 -5.974 9.835) 11.761 5.025 ( 2.724 -9.436 0.025) 9.821 5.219 ( -13.714 8.597 8.121) 18.109 5.893 ( 9.964 4.517 2.887) 11.315 5.943 ( -3.329 7.468 -6.917) 10.710 6.195 ( -5.575 -13.211 -2.306) 14.523 6.319 ( 13.521 11.997 -11.944) 21.666 6.368 ( -3.681 -15.459 -5.588) 16.845 6.692 ( 10.252 6.990 -11.246) 16.746 6.896 ( -3.702 -16.033 -0.997) 16.485 7.278 ( -7.484 -10.751 -6.682) 14.706 7.543 ( 0.689 -7.902 -4.304) 9.024 7.585 ( -3.316 -2.919 -19.477) 19.972 7.794 ( -6.946 6.809 4.869) 10.878 8.076 ( 1.330 -5.326 2.349) 5.971 8.325 ( -0.070 -17.367 -0.769) 17.384 8.416 ( -0.977 -3.146 9.854) 10.390 8.488 ( -0.916 -4.328 -1.176) 4.577 8.519 ( 0.345 -3.648 -3.761) 5.251 8.745 ( -5.187 -0.783 2.767) 5.931 12.857 ( 3.668 4.970 0.732) 6.220 12.974 ( 2.982 5.795 4.374) 7.849 13.174 ( 0.178 4.516 -6.338) 7.784 13.305 ( 3.632 3.089 -2.791) 5.525 13.813 ( 9.959 1.408 -0.207) 10.060 13.908 ( 11.299 4.049 3.610) 12.534 14.206 ( 2.459 8.152 3.111) 9.065 14.528 ( 1.816 -2.588 0.671) 3.232 15.062 ( -4.947 -1.594 -0.243) 5.203 15.119 ( -2.966 3.985 -0.564) 4.999 15.372 ( 0.021 5.048 1.456) 5.254 15.505 ( 0.882 3.387 6.202) 7.122 15.542 ( -1.879 -0.688 -4.614) 5.029 15.759 ( 1.803 -2.715 -0.607) 3.315 15.887 ( 2.971 -3.596 9.015) 10.150 16.037 ( -0.130 -0.792 5.742) 5.798 16.370 ( -4.015 -5.853 -2.972) 7.695 16.427 ( -4.428 -5.333 -1.345) 7.061 16.535 ( 0.348 -0.136 4.467) 4.483 16.666 ( 1.583 0.517 1.757) 2.421 16.724 ( 0.057 0.331 -1.128) 1.177 16.846 ( 1.957 3.136 0.317) 3.709 16.892 ( -0.755 -0.840 -0.210) 1.148 17.062 ( -0.801 -2.186 -0.641) 2.415 17.164 ( -3.337 1.749 -0.112) 3.769 17.244 ( 1.492 0.793 1.334) 2.152 17.297 ( -1.743 -1.612 1.835) 3.001 17.482 ( -3.350 -4.748 -1.823) 6.090 17.576 ( -0.910 -3.453 1.447) 3.853 17.640 ( 0.397 -3.142 3.054) 4.400 17.877 ( -2.055 9.359 -3.041) 10.053 18.363 ( -6.052 -2.159 -5.125) 8.219 19.077 ( 0.944 -3.916 0.702) 4.089 19.211 ( -0.495 -5.324 0.770) 5.402 19.436 ( 0.399 1.841 -1.384) 2.338 19.500 ( -0.296 0.447 -1.953) 2.026 ======================= Grid point 100 (39/120) ======================= q-point: ( 0.29 0.30 0.11) 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| 2.715 ( 17.322 35.961 -2.579) 39.999 3.054 ( 31.635 24.073 10.389) 41.088 4.105 ( -24.203 22.581 -1.822) 33.151 4.496 ( -14.388 10.034 8.009) 19.283 4.699 ( 20.977 40.745 18.590) 49.454 5.065 ( 5.432 -1.449 6.342) 8.475 5.181 ( 6.966 -15.162 0.844) 16.707 5.871 ( -4.086 0.372 -6.069) 7.325 5.995 ( -2.537 0.624 2.166) 3.394 6.071 ( -5.726 -7.305 0.167) 9.283 6.314 ( -0.278 -12.437 -3.503) 12.924 6.593 ( 12.331 10.481 -12.964) 20.736 6.775 ( -7.480 -14.141 0.563) 16.008 6.897 ( 7.904 1.604 -10.159) 12.971 7.148 ( -5.047 -7.391 -3.815) 9.728 7.421 ( -7.108 5.743 -5.100) 10.465 7.535 ( -4.049 -2.832 -11.264) 12.300 7.702 ( -3.362 0.874 -13.939) 14.366 8.111 ( 2.553 -7.101 6.748) 10.123 8.316 ( -0.825 -13.240 1.978) 13.413 8.397 ( -0.855 -2.450 8.134) 8.538 8.458 ( -2.171 -8.638 -1.130) 8.978 8.517 ( -0.424 -5.536 -3.129) 6.373 8.621 ( -6.420 -4.425 3.575) 8.578 12.951 ( 5.310 5.255 0.760) 7.509 13.041 ( 3.122 5.695 3.730) 7.490 13.216 ( 3.749 4.400 -4.056) 7.062 13.355 ( 1.344 3.396 -1.009) 3.789 14.067 ( 14.031 2.497 -0.981) 14.285 14.184 ( 13.730 4.801 0.890) 14.572 14.300 ( 8.642 6.369 0.201) 10.738 14.603 ( 6.294 -1.923 1.511) 6.752 14.933 ( -7.561 1.807 -0.359) 7.782 15.031 ( -5.330 3.944 1.301) 6.757 15.319 ( -6.360 5.914 2.858) 9.144 15.383 ( -10.041 -0.321 -1.511) 10.159 15.623 ( 6.821 0.639 0.497) 6.869 15.823 ( 3.979 -3.049 -0.808) 5.078 15.940 ( 1.915 -7.360 8.449) 11.367 16.048 ( 1.054 -0.436 7.255) 7.344 16.263 ( -6.512 -7.113 -0.333) 9.650 16.329 ( -4.001 -3.320 1.110) 5.316 16.573 ( 2.548 -0.250 2.405) 3.513 16.686 ( 1.220 4.000 1.408) 4.413 16.705 ( -1.463 0.085 -3.472) 3.768 16.866 ( -1.758 -1.296 0.854) 2.345 16.907 ( 3.329 -0.893 -0.514) 3.485 17.037 ( -2.056 -2.664 -2.069) 3.951 17.099 ( -2.181 -0.323 1.055) 2.444 17.225 ( -6.642 -0.474 0.038) 6.659 17.290 ( 2.833 0.092 1.724) 3.317 17.398 ( -2.809 -3.409 2.119) 4.899 17.583 ( 1.117 -2.326 -0.762) 2.691 17.647 ( 0.224 -2.489 1.669) 3.005 17.829 ( -2.200 7.649 -2.656) 8.391 18.199 ( -10.019 -0.744 -4.230) 10.901 19.103 ( 1.598 -4.114 0.535) 4.446 19.196 ( -1.026 -5.021 0.558) 5.155 19.447 ( 0.698 1.632 -1.466) 2.302 19.492 ( -0.563 0.712 -1.860) 2.070 ======================= Grid point 101 (40/120) ======================= q-point: ( 0.43 0.30 0.11) 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| 3.113 ( 22.442 31.282 -2.116) 38.558 3.539 ( -5.862 25.431 3.443) 26.324 3.696 ( 6.693 25.600 5.116) 26.951 4.116 ( -21.817 22.407 10.387) 32.954 5.148 ( 17.389 6.875 3.790) 19.079 5.229 ( 7.405 -11.219 -1.398) 13.515 5.345 ( 12.509 10.012 10.346) 19.073 5.711 ( -14.056 0.681 2.534) 14.299 5.901 ( -4.477 2.999 0.029) 5.389 5.926 ( -7.384 -1.329 1.654) 7.683 6.362 ( 6.308 -11.941 -0.584) 13.517 6.551 ( -10.954 -14.754 0.114) 18.376 6.833 ( 7.999 2.996 -7.220) 11.184 6.946 ( -2.908 -7.576 -4.220) 9.146 7.147 ( 6.375 0.958 -8.348) 10.547 7.315 ( -7.489 5.618 -16.761) 19.198 7.497 ( 3.449 2.650 -9.083) 10.070 7.611 ( -6.007 2.915 -15.532) 16.907 8.183 ( 4.627 -6.159 7.211) 10.551 8.276 ( -3.865 -4.840 6.119) 8.707 8.387 ( 0.378 -8.213 4.326) 9.291 8.414 ( -1.964 -11.740 0.727) 11.925 8.509 ( -0.148 -7.824 -1.934) 8.060 8.528 ( -2.597 -8.098 2.140) 8.770 13.043 ( 3.476 5.492 1.482) 6.666 13.077 ( 0.176 5.674 2.618) 6.251 13.300 ( 4.023 3.877 -2.133) 5.981 13.355 ( -1.398 3.565 -0.963) 3.949 14.291 ( 7.776 6.633 -0.113) 10.221 14.348 ( 3.111 8.109 1.958) 8.903 14.565 ( 13.585 -0.190 -5.622) 14.703 14.722 ( -1.584 -1.978 -6.413) 6.895 14.857 ( 6.202 2.436 4.754) 8.185 14.968 ( 2.289 5.089 3.737) 6.716 15.091 ( -14.048 1.935 -0.470) 14.188 15.174 ( -11.938 4.279 4.376) 13.416 15.757 ( 6.264 -2.631 -0.085) 6.795 15.853 ( -2.479 -4.525 -0.346) 5.171 15.986 ( 3.500 -3.988 5.202) 7.430 16.044 ( -1.856 -1.950 8.101) 8.537 16.193 ( 0.517 -6.811 3.009) 7.465 16.251 ( -4.120 -4.426 2.351) 6.488 16.616 ( 2.233 1.052 -1.269) 2.776 16.665 ( -2.437 0.747 -3.254) 4.133 16.761 ( 5.396 2.600 3.459) 6.916 16.830 ( -1.818 -0.937 2.841) 3.501 16.940 ( 0.857 -0.957 -2.124) 2.482 17.029 ( 1.308 -3.569 -0.165) 3.805 17.044 ( -7.787 0.407 -1.408) 7.924 17.074 ( -2.406 -2.634 -0.706) 3.636 17.348 ( 2.665 -0.755 2.149) 3.506 17.381 ( -0.467 -2.001 2.664) 3.365 17.609 ( 1.414 -1.565 -0.950) 2.313 17.638 ( -1.290 -1.154 -0.335) 1.763 17.839 ( 4.345 4.599 -2.281) 6.726 17.992 ( -10.119 1.333 -3.160) 10.685 19.137 ( 1.788 -4.375 0.414) 4.744 19.171 ( -1.530 -4.682 0.415) 4.943 19.463 ( 0.819 1.355 -1.587) 2.241 19.478 ( -0.756 1.039 -1.727) 2.153 ======================= Grid point 105 (41/120) ======================= q-point: ( 0.00 0.40 0.11) 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| 2.776 ( 0.000 31.977 12.662) 34.392 3.102 ( 0.000 35.047 -1.248) 35.069 4.036 ( 0.000 -22.786 7.340) 23.939 4.492 ( 0.000 -25.838 1.004) 25.857 5.171 ( 0.000 20.762 -8.176) 22.314 5.388 ( 0.000 47.198 12.661) 48.867 5.728 ( 0.000 5.888 4.809) 7.602 5.855 ( 0.000 20.151 6.717) 21.241 5.999 ( 0.000 -11.809 0.098) 11.809 6.060 ( 0.000 -16.540 -5.200) 17.338 6.306 ( 0.000 12.805 -9.308) 15.830 6.371 ( 0.000 12.184 -9.986) 15.753 6.637 ( 0.000 -12.685 -0.793) 12.710 6.705 ( 0.000 3.570 -9.369) 10.027 7.104 ( 0.000 -19.280 -5.442) 20.033 7.266 ( 0.000 -4.226 -16.368) 16.905 7.431 ( 0.000 -23.291 -6.660) 24.224 7.553 ( 0.000 -26.984 -11.833) 29.464 8.098 ( 0.000 9.801 16.746) 19.404 8.263 ( 0.000 3.710 -5.360) 6.518 8.358 ( 0.000 -3.558 14.752) 15.175 8.435 ( 0.000 -4.236 -8.388) 9.397 8.557 ( 0.000 5.569 4.192) 6.971 8.772 ( 0.000 -3.359 3.142) 4.599 12.923 ( 0.000 5.668 -1.183) 5.790 13.037 ( 0.000 2.697 -0.216) 2.706 13.258 ( 0.000 1.764 -11.232) 11.369 13.260 ( 0.000 0.028 -4.527) 4.527 13.776 ( 0.000 4.936 0.671) 4.982 13.872 ( 0.000 2.771 5.477) 6.138 14.304 ( 0.000 4.401 0.855) 4.484 14.439 ( 0.000 -4.381 -2.273) 4.936 15.030 ( 0.000 -2.523 4.051) 4.772 15.117 ( 0.000 -4.636 -1.380) 4.837 15.460 ( 0.000 2.339 3.047) 3.841 15.575 ( 0.000 -0.179 2.698) 2.704 15.619 ( 0.000 9.597 -3.505) 10.218 15.770 ( 0.000 4.535 -2.555) 5.206 15.886 ( 0.000 3.546 6.742) 7.618 15.999 ( 0.000 -3.434 6.655) 7.489 16.280 ( 0.000 -5.659 -3.118) 6.461 16.369 ( 0.000 -6.542 -1.771) 6.777 16.545 ( 0.000 0.953 6.092) 6.166 16.608 ( 0.000 -1.838 5.731) 6.018 16.715 ( 0.000 1.195 0.708) 1.389 16.855 ( 0.000 -3.911 0.972) 4.030 16.945 ( 0.000 4.912 -0.079) 4.913 17.046 ( 0.000 -1.088 1.204) 1.623 17.237 ( 0.000 2.059 2.261) 3.058 17.237 ( 0.000 -0.469 1.222) 1.309 17.288 ( 0.000 -0.549 3.153) 3.200 17.436 ( 0.000 -3.899 0.714) 3.964 17.510 ( 0.000 -2.291 0.058) 2.292 17.568 ( 0.000 -3.219 0.948) 3.356 18.090 ( 0.000 9.173 -4.052) 10.028 18.356 ( 0.000 -4.479 -4.909) 6.645 19.020 ( 0.000 -0.825 2.121) 2.276 19.113 ( 0.000 -4.887 2.060) 5.303 19.468 ( 0.000 1.682 -1.609) 2.328 19.505 ( 0.000 -0.185 -1.823) 1.832 ======================= Grid point 106 (42/120) ======================= q-point: ( 0.14 0.40 0.11) 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| 3.002 ( 21.123 28.749 10.763) 37.263 3.184 ( 8.134 35.332 -1.111) 36.273 4.155 ( 11.233 -21.531 6.263) 25.080 4.526 ( 3.004 -23.204 2.305) 23.510 5.017 ( -13.490 20.409 -8.342) 25.848 5.393 ( -4.081 30.400 6.485) 31.350 5.540 ( -6.887 27.423 10.736) 30.244 5.908 ( -9.045 -11.458 -1.899) 14.721 5.973 ( -3.448 -8.332 1.283) 9.108 6.030 ( 6.684 5.921 2.043) 9.160 6.234 ( -2.151 9.068 -6.837) 11.559 6.521 ( 4.980 -1.447 -9.501) 10.824 6.651 ( 4.712 0.052 -3.441) 5.835 6.764 ( 3.572 -3.028 -7.095) 8.501 7.075 ( 0.733 -6.406 -11.082) 12.821 7.349 ( 5.470 -9.207 -13.772) 17.446 7.447 ( 1.340 -18.526 -9.378) 20.808 7.578 ( 2.428 -27.574 -9.413) 29.238 7.989 ( -9.850 11.035 13.772) 20.210 8.250 ( -1.502 2.155 -0.720) 2.724 8.330 ( -2.477 -4.514 11.760) 12.838 8.425 ( -1.029 -4.317 -7.016) 8.301 8.543 ( -1.819 3.941 4.695) 6.393 8.707 ( -6.180 -2.966 4.163) 8.020 12.962 ( 3.752 5.538 -1.365) 6.827 13.067 ( 3.020 2.897 -0.618) 4.230 13.240 ( 0.802 2.403 -6.294) 6.785 13.331 ( 3.711 -0.168 -6.106) 7.148 13.876 ( 10.004 4.631 -0.168) 11.025 13.976 ( 10.141 2.365 2.678) 10.752 14.336 ( 3.233 4.733 0.560) 5.759 14.460 ( 2.205 -4.018 -2.122) 5.051 15.006 ( -2.424 -1.497 3.590) 4.583 15.112 ( -0.917 -4.357 -0.854) 4.534 15.473 ( 0.457 2.641 2.067) 3.385 15.534 ( -4.251 3.710 0.960) 5.723 15.636 ( 1.394 5.322 -1.591) 5.727 15.751 ( -0.999 2.173 -0.847) 2.537 15.883 ( -0.401 2.076 7.008) 7.320 16.008 ( 0.852 -1.959 5.809) 6.189 16.246 ( -3.268 -5.120 -0.817) 6.129 16.323 ( -3.909 -6.199 0.278) 7.334 16.548 ( 0.682 1.538 4.941) 5.220 16.650 ( 3.392 -1.696 3.795) 5.365 16.717 ( -0.173 -0.073 -0.700) 0.725 16.846 ( -0.952 -3.504 0.802) 3.719 16.929 ( -1.154 4.170 0.225) 4.333 17.029 ( -1.300 -1.179 1.447) 2.274 17.208 ( -4.199 2.689 2.848) 5.742 17.247 ( 0.930 -0.250 1.201) 1.540 17.266 ( -0.549 -1.197 2.409) 2.745 17.391 ( -4.125 -4.918 1.936) 6.704 17.524 ( 1.122 -1.337 -0.975) 2.000 17.579 ( 0.854 -2.803 1.013) 3.101 18.056 ( -3.254 8.637 -4.012) 10.063 18.305 ( -4.974 -3.903 -4.627) 7.834 19.027 ( 0.693 -1.012 2.024) 2.366 19.111 ( -0.158 -4.667 1.975) 5.070 19.470 ( 0.221 1.586 -1.615) 2.274 19.504 ( -0.121 -0.101 -1.806) 1.813 ======================= Grid point 107 (43/120) ======================= q-point: ( 0.29 0.40 0.11) 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| 3.395 ( 14.591 32.495 -2.306) 35.695 3.531 ( 28.107 25.525 8.949) 39.008 4.402 ( 8.797 -13.743 2.255) 16.472 4.518 ( -7.886 7.757 3.774) 11.688 4.809 ( 0.027 -6.649 -6.410) 9.235 5.151 ( -14.046 13.899 3.361) 20.044 5.545 ( -1.781 6.718 1.197) 7.052 5.714 ( -7.495 -1.180 3.587) 8.393 5.898 ( -0.838 4.967 6.699) 8.382 6.128 ( 2.052 6.897 1.271) 7.307 6.249 ( 3.368 5.234 -2.793) 6.822 6.482 ( -5.215 -10.045 -3.373) 11.810 6.767 ( 0.118 -10.016 -3.664) 10.665 6.864 ( 9.513 8.104 -9.264) 15.557 7.152 ( 4.001 6.841 -16.628) 18.420 7.431 ( 1.717 -8.275 -15.731) 17.858 7.452 ( -0.317 -5.968 -10.004) 11.653 7.650 ( 4.027 -27.289 -2.167) 27.669 7.793 ( -6.388 7.215 3.104) 10.124 8.210 ( -1.818 -2.764 8.445) 9.070 8.270 ( -4.206 -6.149 2.841) 7.973 8.391 ( -2.694 -3.786 -1.894) 5.017 8.472 ( -5.018 0.142 3.477) 6.106 8.564 ( -6.869 -1.353 7.687) 10.398 13.058 ( 5.444 5.397 -1.452) 7.802 13.141 ( 3.759 3.788 -0.864) 5.406 13.280 ( 2.939 2.404 -4.119) 5.602 13.385 ( 1.534 -0.325 -3.344) 3.693 14.146 ( 15.887 5.263 -2.399) 16.907 14.241 ( 15.473 1.519 -2.413) 15.733 14.432 ( 6.088 5.910 -0.498) 8.499 14.535 ( 5.882 -4.697 -2.145) 7.827 14.939 ( -4.032 0.903 2.861) 5.026 15.064 ( -3.817 -2.185 0.821) 4.474 15.384 ( -10.431 1.601 -1.730) 10.694 15.423 ( -7.391 3.630 3.034) 8.776 15.675 ( 3.217 3.138 1.228) 4.659 15.783 ( 3.816 -1.332 -0.414) 4.063 15.877 ( 0.268 1.181 7.061) 7.164 16.024 ( 0.525 -2.182 5.853) 6.268 16.155 ( -5.477 -3.053 3.640) 7.250 16.245 ( -3.838 -5.363 1.771) 6.828 16.577 ( 2.199 0.771 2.562) 3.463 16.699 ( -1.165 -0.313 -2.988) 3.222 16.719 ( 3.405 -0.599 2.942) 4.540 16.820 ( -1.447 -2.836 0.922) 3.314 16.921 ( 0.550 1.826 0.009) 1.908 17.006 ( -1.335 -0.517 1.389) 1.994 17.100 ( -5.390 0.749 4.156) 6.847 17.201 ( -6.718 -2.246 0.262) 7.088 17.290 ( 2.463 0.014 2.333) 3.392 17.335 ( -0.119 -2.524 3.034) 3.948 17.545 ( 1.029 -1.382 -1.803) 2.494 17.596 ( 0.710 -2.334 0.530) 2.496 17.977 ( -4.084 7.084 -3.818) 9.024 18.172 ( -8.029 -2.216 -3.919) 9.205 19.046 ( 1.158 -1.532 1.827) 2.651 19.106 ( -0.472 -4.060 1.799) 4.466 19.477 ( 0.390 1.313 -1.631) 2.129 19.500 ( -0.263 0.140 -1.762) 1.787 ======================= Grid point 108 (44/120) ======================= q-point: ( 0.43 0.40 0.11) 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| 3.721 ( 18.157 30.201 -2.008) 35.296 4.006 ( 6.921 21.753 4.281) 23.226 4.206 ( -2.509 25.875 1.011) 26.016 4.476 ( -10.064 12.277 4.141) 16.407 4.923 ( 5.689 -17.620 -2.893) 18.741 4.995 ( -0.985 -8.279 -1.111) 8.411 5.445 ( -1.395 -19.931 -1.586) 20.042 5.562 ( -9.396 -12.741 2.071) 15.966 6.021 ( 9.837 23.754 11.160) 28.028 6.142 ( -1.378 8.788 3.835) 9.687 6.309 ( 2.317 5.188 -1.462) 5.867 6.375 ( -4.735 -2.207 -2.803) 5.928 6.782 ( 2.905 -6.167 -0.676) 6.850 6.902 ( -6.894 5.900 -1.841) 9.259 7.230 ( 6.825 4.930 -16.760) 18.755 7.366 ( -5.530 -0.950 -18.002) 18.856 7.531 ( 5.321 -2.334 -12.047) 13.375 7.627 ( -4.108 -4.576 -9.232) 11.092 7.875 ( 10.872 -14.910 -0.962) 18.478 8.111 ( -11.347 -12.452 -1.398) 16.904 8.217 ( 2.496 -3.286 10.087) 10.899 8.301 ( -5.290 -2.965 7.070) 9.315 8.423 ( 0.357 -2.182 3.219) 3.906 8.463 ( -3.509 -1.404 7.013) 7.966 13.153 ( 3.606 5.407 -1.183) 6.606 13.186 ( 0.385 5.067 -0.967) 5.173 13.345 ( 3.209 0.852 -2.758) 4.316 13.389 ( -1.067 -0.072 -2.385) 2.613 14.422 ( 10.376 7.043 -3.696) 13.074 14.515 ( 2.713 8.100 -0.659) 8.568 14.548 ( 11.714 -1.095 -8.498) 14.514 14.669 ( 2.475 -3.814 -8.175) 9.354 14.902 ( 4.132 2.276 4.623) 6.605 15.019 ( 2.690 -0.810 4.834) 5.591 15.120 ( -14.724 1.675 0.992) 14.852 15.215 ( -12.832 -0.428 4.278) 13.533 15.750 ( 3.829 1.796 1.231) 4.405 15.810 ( -1.729 0.887 -0.045) 1.944 15.940 ( 5.443 -0.812 6.601) 8.593 16.025 ( -2.003 -1.048 8.699) 8.988 16.074 ( 0.054 -4.606 3.551) 5.816 16.154 ( -5.434 -5.506 3.046) 8.314 16.628 ( 2.772 0.443 -0.879) 2.941 16.673 ( -1.603 0.167 -3.137) 3.527 16.796 ( 2.964 0.393 2.314) 3.780 16.805 ( 0.522 -1.063 2.726) 2.972 16.925 ( 0.241 -0.915 0.232) 0.974 16.987 ( 0.094 -0.115 2.331) 2.336 17.028 ( -3.113 -1.841 3.707) 5.179 17.043 ( -6.382 -0.678 0.577) 6.443 17.337 ( 1.845 -0.353 2.235) 2.920 17.350 ( 0.576 -1.030 2.373) 2.650 17.570 ( 1.617 -1.862 -2.103) 3.241 17.598 ( -0.742 -2.107 -0.949) 2.427 17.933 ( 0.624 4.315 -3.229) 5.426 18.015 ( -7.010 0.620 -3.159) 7.714 19.071 ( 1.216 -2.306 1.684) 3.103 19.092 ( -0.905 -3.209 1.675) 3.732 19.485 ( 0.453 0.920 -1.660) 1.951 19.494 ( -0.396 0.500 -1.707) 1.822 ======================= Grid point 112 (45/120) ======================= q-point: ( 0.00 -0.50 0.11) 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| 3.333 ( 0.000 -21.263 10.296) 23.625 3.333 ( 0.000 21.263 10.296) 23.625 3.957 ( 0.000 -24.729 -0.321) 24.731 3.957 ( 0.000 24.729 -0.321) 24.731 5.575 ( 0.000 -18.624 -8.082) 20.302 5.575 ( 0.000 18.624 -8.082) 20.302 5.814 ( 0.000 -6.192 0.575) 6.218 5.814 ( 0.000 6.192 0.575) 6.218 6.191 ( 0.000 -8.145 4.447) 9.280 6.191 ( 0.000 8.145 4.447) 9.280 6.424 ( 0.000 -10.683 -2.663) 11.010 6.424 ( 0.000 10.683 -2.663) 11.010 6.747 ( 0.000 -17.443 -5.789) 18.378 6.747 ( 0.000 17.443 -5.789) 18.378 6.762 ( 0.000 -17.567 0.847) 17.588 6.762 ( 0.000 17.567 0.847) 17.588 7.311 ( 0.000 -8.003 -21.066) 22.535 7.311 ( 0.000 8.003 -21.066) 22.535 8.253 ( 0.000 -5.934 15.367) 16.473 8.253 ( 0.000 5.934 15.367) 16.473 8.354 ( 0.000 -3.838 -5.849) 6.996 8.354 ( 0.000 3.838 -5.849) 6.996 8.677 ( 0.000 -6.072 3.615) 7.067 8.677 ( 0.000 6.072 3.615) 7.067 13.022 ( 0.000 -3.783 -2.160) 4.357 13.022 ( 0.000 3.783 -2.160) 4.357 13.267 ( 0.000 -0.304 -8.583) 8.589 13.267 ( 0.000 0.304 -8.583) 8.589 13.868 ( 0.000 -3.239 3.267) 4.601 13.868 ( 0.000 3.239 3.267) 4.601 14.367 ( 0.000 -2.826 -2.321) 3.657 14.367 ( 0.000 2.826 -2.321) 3.657 15.034 ( 0.000 -2.773 3.910) 4.793 15.034 ( 0.000 2.773 3.910) 4.793 15.524 ( 0.000 -3.818 1.272) 4.024 15.524 ( 0.000 3.818 1.272) 4.024 15.786 ( 0.000 -5.535 -4.953) 7.428 15.786 ( 0.000 5.535 -4.953) 7.428 15.944 ( 0.000 -1.205 6.242) 6.358 15.944 ( 0.000 1.205 6.242) 6.358 16.251 ( 0.000 -3.399 0.248) 3.408 16.251 ( 0.000 3.399 0.248) 3.408 16.575 ( 0.000 -1.627 5.698) 5.926 16.575 ( 0.000 1.627 5.698) 5.926 16.767 ( 0.000 -4.137 1.663) 4.458 16.767 ( 0.000 4.137 1.663) 4.458 17.016 ( 0.000 -2.387 0.729) 2.496 17.016 ( 0.000 2.387 0.729) 2.496 17.238 ( 0.000 -0.650 1.853) 1.963 17.238 ( 0.000 0.650 1.853) 1.963 17.341 ( 0.000 -4.927 3.908) 6.288 17.341 ( 0.000 4.927 3.908) 6.288 17.517 ( 0.000 -1.909 -0.946) 2.131 17.517 ( 0.000 1.909 -0.946) 2.131 18.247 ( 0.000 -6.867 -4.591) 8.260 18.247 ( 0.000 6.867 -4.591) 8.260 19.038 ( 0.000 -2.570 2.590) 3.649 19.038 ( 0.000 2.570 2.590) 3.649 19.494 ( 0.000 -0.967 -1.731) 1.983 19.494 ( 0.000 0.967 -1.731) 1.983 ======================= Grid point 114 (46/120) ======================= q-point: ( 0.14 -0.50 0.11) 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| 3.463 ( 13.906 -0.000 6.755) 15.460 3.540 ( 17.858 0.000 10.994) 20.971 3.995 ( 4.837 0.000 -1.195) 4.983 4.043 ( 7.739 -0.000 1.436) 7.871 5.428 ( -12.567 -0.000 -7.230) 14.498 5.446 ( -12.835 0.000 -8.061) 15.157 5.720 ( -8.904 0.000 0.698) 8.931 5.725 ( -8.169 -0.000 1.597) 8.324 6.206 ( 1.364 0.000 2.607) 2.942 6.222 ( 2.083 -0.000 4.580) 5.031 6.405 ( -1.123 0.000 -4.817) 4.946 6.434 ( -0.080 -0.000 -2.408) 2.409 6.674 ( -0.186 -0.000 2.246) 2.253 6.685 ( -0.134 0.000 1.618) 1.623 6.944 ( 12.189 0.000 -7.807) 14.474 6.982 ( 14.017 0.000 -5.464) 15.044 7.336 ( 2.541 0.000 -21.842) 21.989 7.351 ( 2.713 -0.000 -20.607) 20.785 8.178 ( -7.745 0.000 14.581) 16.511 8.184 ( -6.084 -0.000 15.477) 16.630 8.333 ( -2.121 0.000 -6.625) 6.956 8.347 ( -0.541 -0.000 -4.544) 4.576 8.607 ( -5.454 0.000 3.611) 6.541 8.654 ( -3.506 -0.000 5.966) 6.920 13.043 ( 2.990 0.000 -2.858) 4.136 13.072 ( 3.992 -0.000 -2.049) 4.487 13.270 ( 1.703 -0.000 -7.351) 7.546 13.320 ( 3.042 0.000 -6.310) 7.005 13.948 ( 9.513 0.000 1.627) 9.652 13.985 ( 10.187 -0.000 1.275) 10.266 14.377 ( 2.195 -0.000 -3.580) 4.199 14.416 ( 3.768 0.000 -1.582) 4.086 15.021 ( -1.227 -0.000 3.019) 3.259 15.028 ( -0.891 0.000 4.369) 4.459 15.526 ( -1.057 -0.000 0.599) 1.215 15.533 ( 0.214 0.000 1.457) 1.473 15.730 ( -2.693 -0.000 -1.490) 3.077 15.776 ( -3.272 0.000 -4.781) 5.794 15.887 ( -0.844 0.000 6.405) 6.460 16.010 ( 2.344 0.000 3.409) 4.136 16.207 ( -3.526 0.000 2.910) 4.572 16.225 ( -2.581 -0.000 1.990) 3.259 16.575 ( 0.565 0.000 3.473) 3.519 16.624 ( 3.606 -0.000 5.675) 6.724 16.726 ( -1.992 0.000 0.170) 1.999 16.793 ( 0.455 -0.000 1.355) 1.429 16.980 ( -2.436 -0.000 0.224) 2.446 17.012 ( -0.678 0.000 2.044) 2.153 17.233 ( -0.349 -0.000 1.015) 1.073 17.248 ( -1.859 -0.000 1.922) 2.674 17.295 ( -3.521 0.000 4.443) 5.669 17.295 ( -2.148 -0.000 3.671) 4.253 17.519 ( 0.639 -0.000 -1.451) 1.586 17.545 ( 1.620 0.000 -0.158) 1.628 18.189 ( -4.787 0.000 -5.080) 6.980 18.220 ( -3.384 -0.000 -3.818) 5.102 19.038 ( 0.167 -0.000 2.418) 2.424 19.045 ( 0.400 0.000 2.581) 2.612 19.494 ( 0.027 0.000 -1.746) 1.746 19.495 ( 0.058 -0.000 -1.705) 1.706 ======================= Grid point 116 (47/120) ======================= q-point: ( 0.29 -0.50 0.11) 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| 3.810 ( 19.154 0.000 1.656) 19.225 3.961 ( 21.579 -0.000 9.265) 23.483 4.151 ( 11.691 0.000 -0.838) 11.721 4.264 ( 14.211 0.000 4.120) 14.796 5.128 ( -17.904 -0.000 -8.355) 19.758 5.134 ( -16.057 0.000 -6.085) 17.172 5.495 ( -13.084 -0.000 1.063) 13.127 5.521 ( -11.981 -0.000 2.727) 12.288 6.225 ( 0.386 0.000 1.140) 1.204 6.246 ( 0.051 -0.000 2.869) 2.869 6.390 ( 0.021 -0.000 -4.842) 4.842 6.425 ( -0.598 0.000 -2.820) 2.883 6.743 ( 6.720 -0.000 4.643) 8.168 6.744 ( 5.800 0.000 3.513) 6.781 7.202 ( 12.891 0.000 -11.530) 17.295 7.275 ( 14.552 0.000 -7.804) 16.513 7.372 ( -1.730 0.000 -18.253) 18.334 7.374 ( 0.196 -0.000 -20.189) 20.190 7.976 ( -11.100 0.000 8.039) 13.705 8.050 ( -6.309 -0.000 9.963) 11.792 8.269 ( -4.210 0.000 -3.449) 5.443 8.334 ( -1.151 0.000 -0.032) 1.151 8.478 ( -6.777 0.000 5.948) 9.017 8.554 ( -5.968 0.000 8.664) 10.521 13.130 ( 5.259 0.000 -3.286) 6.201 13.165 ( 4.851 -0.000 -2.313) 5.374 13.315 ( 2.412 -0.000 -4.743) 5.321 13.365 ( 1.306 0.000 -3.086) 3.351 14.224 ( 17.194 0.000 -2.559) 17.384 14.250 ( 15.719 0.000 -2.846) 15.975 14.453 ( 5.412 -0.000 -4.611) 7.110 14.509 ( 5.426 0.000 -1.882) 5.744 14.981 ( -2.785 -0.000 2.314) 3.621 14.996 ( -2.291 0.000 4.762) 5.284 15.409 ( -10.827 0.000 0.046) 10.827 15.456 ( -9.642 0.000 1.978) 9.843 15.739 ( 1.464 -0.000 0.257) 1.487 15.743 ( 3.806 0.000 0.586) 3.851 15.898 ( 1.397 0.000 3.587) 3.849 16.020 ( -1.294 0.000 2.013) 2.393 16.133 ( -3.905 0.000 7.172) 8.167 16.162 ( -3.742 -0.000 4.296) 5.698 16.590 ( 1.290 0.000 0.887) 1.565 16.693 ( -0.247 0.000 0.925) 0.958 16.708 ( 3.679 0.000 3.003) 4.749 16.786 ( -0.737 -0.000 0.383) 0.831 16.941 ( -1.300 0.000 0.054) 1.301 17.007 ( 0.158 0.000 2.592) 2.597 17.132 ( -7.240 -0.000 2.446) 7.642 17.150 ( -6.996 0.000 3.872) 7.996 17.291 ( 2.137 0.000 2.452) 3.253 17.310 ( 1.729 -0.000 2.619) 3.138 17.532 ( 0.681 -0.000 -1.944) 2.060 17.571 ( 0.902 0.000 -0.200) 0.924 18.074 ( -6.130 0.000 -5.060) 7.949 18.124 ( -5.889 -0.000 -3.021) 6.619 19.044 ( 0.418 -0.000 2.209) 2.249 19.052 ( 0.315 0.000 2.417) 2.438 19.495 ( 0.058 0.000 -1.735) 1.736 19.496 ( 0.045 -0.000 -1.687) 1.688 ======================= Grid point 118 (48/120) ======================= q-point: ( 0.43 -0.50 0.11) 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| 4.157 ( 14.355 0.000 0.190) 14.356 4.248 ( 6.778 -0.000 2.896) 7.371 4.476 ( 16.218 -0.000 5.387) 17.090 4.539 ( 9.863 0.000 4.201) 10.721 4.806 ( -11.613 -0.000 -10.076) 15.374 4.840 ( -12.100 0.000 -5.497) 13.290 5.253 ( -8.743 0.000 1.580) 8.884 5.283 ( -10.332 -0.000 3.164) 10.806 6.227 ( 0.076 0.000 0.672) 0.676 6.235 ( -0.720 -0.000 1.111) 1.324 6.401 ( 0.777 -0.000 -3.390) 3.478 6.414 ( -0.532 0.000 -2.797) 2.847 6.888 ( 7.312 -0.000 1.757) 7.520 6.903 ( 7.136 0.000 3.056) 7.763 7.275 ( -4.817 0.000 -5.190) 7.080 7.309 ( -6.254 -0.000 -8.206) 10.317 7.427 ( 8.079 0.000 -16.681) 18.534 7.486 ( 4.027 -0.000 -9.413) 10.238 7.845 ( 0.752 0.000 -9.588) 9.617 7.946 ( -5.530 -0.000 -8.490) 10.132 8.199 ( -0.962 0.000 9.477) 9.526 8.263 ( -5.735 0.000 10.102) 11.617 8.405 ( 0.109 0.000 5.531) 5.532 8.449 ( -4.048 0.000 8.271) 9.208 13.223 ( 3.325 -0.000 -3.331) 4.706 13.238 ( 1.871 0.000 -2.941) 3.485 13.353 ( 1.365 -0.000 -2.478) 2.829 13.372 ( -0.474 0.000 -1.696) 1.761 14.533 ( 9.552 0.000 -9.511) 13.479 14.539 ( 10.021 -0.000 -9.085) 13.526 14.585 ( 7.701 -0.000 -4.426) 8.883 14.612 ( 4.062 -0.000 -3.430) 5.317 14.943 ( 1.553 -0.000 3.362) 3.704 14.972 ( 2.074 0.000 6.765) 7.075 15.148 ( -13.585 0.000 2.709) 13.853 15.194 ( -14.696 -0.000 5.748) 15.780 15.799 ( 3.245 -0.000 -0.998) 3.395 15.820 ( 2.167 0.000 -1.052) 2.408 15.944 ( 3.450 0.000 6.499) 7.358 15.996 ( 0.050 0.000 5.893) 5.893 16.045 ( -4.413 0.000 6.893) 8.184 16.075 ( -4.788 -0.000 5.440) 7.247 16.634 ( 2.732 0.000 -1.461) 3.098 16.674 ( -1.270 0.000 -2.361) 2.681 16.787 ( 1.439 -0.000 0.719) 1.609 16.800 ( 3.593 0.000 4.341) 5.635 16.912 ( -1.012 0.000 1.885) 2.140 17.000 ( -7.146 0.000 4.184) 8.281 17.012 ( -0.190 0.000 3.144) 3.150 17.026 ( -2.275 -0.000 2.172) 3.146 17.334 ( 1.626 0.000 2.130) 2.680 17.341 ( 0.930 0.000 2.246) 2.431 17.551 ( 1.344 0.000 -2.383) 2.735 17.575 ( -0.657 0.000 -1.380) 1.528 17.984 ( -1.954 0.000 -3.987) 4.440 18.014 ( -4.442 -0.000 -2.804) 5.253 19.052 ( 0.333 -0.000 2.132) 2.157 19.055 ( 0.001 0.000 2.225) 2.225 19.496 ( 0.045 0.000 -1.709) 1.709 19.497 ( 0.000 -0.000 -1.688) 1.688 ======================= Grid point 154 (49/120) ======================= q-point: ( 0.00 0.00 0.22) 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| 1.449 ( 0.000 0.000 34.974) 34.974 1.822 ( 0.000 0.000 42.170) 42.170 2.895 ( 0.000 0.000 66.213) 66.213 4.607 ( 0.000 0.000 23.016) 23.016 4.676 ( 0.000 0.000 1.431) 1.431 5.207 ( 0.000 0.000 -16.558) 16.558 5.220 ( 0.000 0.000 -10.154) 10.154 5.417 ( 0.000 0.000 5.671) 5.671 5.799 ( 0.000 0.000 -13.565) 13.565 5.808 ( 0.000 0.000 4.150) 4.150 6.480 ( 0.000 0.000 10.690) 10.690 6.719 ( 0.000 0.000 -11.344) 11.344 6.747 ( 0.000 0.000 -8.637) 8.637 7.239 ( 0.000 0.000 7.652) 7.652 7.248 ( 0.000 0.000 -14.429) 14.429 7.541 ( 0.000 0.000 -14.134) 14.134 7.673 ( 0.000 0.000 -4.781) 4.781 7.702 ( 0.000 0.000 -3.098) 3.098 8.261 ( 0.000 0.000 -10.308) 10.308 8.319 ( 0.000 0.000 5.175) 5.175 8.467 ( 0.000 0.000 1.944) 1.944 8.502 ( 0.000 0.000 -13.234) 13.234 8.714 ( 0.000 0.000 3.508) 3.508 9.208 ( 0.000 0.000 -8.272) 8.272 12.842 ( 0.000 0.000 7.683) 7.683 12.899 ( 0.000 0.000 -4.145) 4.145 13.053 ( 0.000 0.000 17.972) 17.972 13.140 ( 0.000 0.000 9.036) 9.036 13.866 ( 0.000 0.000 9.386) 9.386 13.895 ( 0.000 0.000 2.373) 2.373 13.989 ( 0.000 0.000 8.937) 8.937 14.620 ( 0.000 0.000 0.346) 0.346 14.720 ( 0.000 0.000 12.848) 12.848 15.254 ( 0.000 0.000 13.319) 13.319 15.419 ( 0.000 0.000 2.501) 2.501 15.509 ( 0.000 0.000 -1.360) 1.360 15.597 ( 0.000 0.000 -4.333) 4.333 15.948 ( 0.000 0.000 4.112) 4.112 16.174 ( 0.000 0.000 -0.645) 0.645 16.208 ( 0.000 0.000 -6.341) 6.341 16.408 ( 0.000 0.000 -4.221) 4.221 16.461 ( 0.000 0.000 -1.567) 1.567 16.636 ( 0.000 0.000 2.024) 2.024 16.667 ( 0.000 0.000 5.966) 5.966 16.706 ( 0.000 0.000 -4.732) 4.732 16.709 ( 0.000 0.000 -0.640) 0.640 16.800 ( 0.000 0.000 0.317) 0.317 16.895 ( 0.000 0.000 -9.763) 9.763 17.023 ( 0.000 0.000 -2.790) 2.790 17.060 ( 0.000 0.000 -7.988) 7.988 17.365 ( 0.000 0.000 2.988) 2.988 17.435 ( 0.000 0.000 -2.875) 2.875 17.727 ( 0.000 0.000 1.557) 1.557 17.878 ( 0.000 0.000 4.738) 4.738 17.946 ( 0.000 0.000 1.925) 1.925 18.217 ( 0.000 0.000 -9.123) 9.123 19.212 ( 0.000 0.000 -3.195) 3.195 19.296 ( 0.000 0.000 -1.709) 1.709 19.396 ( 0.000 0.000 -4.468) 4.468 19.399 ( 0.000 0.000 -4.910) 4.910 ======================= Grid point 155 (50/120) ======================= q-point: ( 0.14 0.00 0.22) 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| 1.825 ( 31.021 0.000 28.570) 42.173 1.939 ( 11.590 0.000 39.787) 41.441 3.089 ( 20.246 0.000 60.537) 63.833 4.404 ( -18.027 0.000 21.947) 28.402 4.479 ( -20.398 0.000 12.512) 23.930 5.201 ( 1.621 0.000 -16.714) 16.792 5.287 ( 6.673 0.000 -15.323) 16.713 5.468 ( 4.969 0.000 0.660) 5.013 5.846 ( 3.799 0.000 3.164) 4.944 5.849 ( 3.214 0.000 -11.996) 12.419 6.577 ( -12.898 0.000 -11.997) 17.615 6.649 ( 9.351 0.000 0.438) 9.362 6.818 ( 11.132 0.000 2.097) 11.328 7.165 ( -7.414 0.000 9.465) 12.023 7.180 ( -6.113 0.000 -12.753) 14.143 7.403 ( -9.769 0.000 -14.069) 17.129 7.659 ( -1.985 0.000 -2.459) 3.160 7.815 ( 8.146 0.000 -6.129) 10.194 8.275 ( -4.361 0.000 4.893) 6.554 8.361 ( 8.377 0.000 -8.272) 11.772 8.448 ( -1.432 0.000 1.231) 1.889 8.476 ( -2.350 0.000 -13.250) 13.457 8.673 ( -3.878 0.000 2.027) 4.375 9.182 ( -2.642 0.000 -8.191) 8.607 12.877 ( 3.517 0.000 8.088) 8.820 12.904 ( 1.826 0.000 -1.152) 2.159 13.079 ( 2.373 0.000 16.844) 17.010 13.205 ( 4.468 0.000 7.478) 8.711 13.927 ( 5.518 0.000 9.351) 10.858 14.001 ( 10.436 0.000 1.997) 10.625 14.034 ( 5.462 0.000 8.137) 9.800 14.636 ( 1.707 0.000 1.273) 2.130 14.673 ( -4.718 0.000 12.422) 13.287 15.229 ( -2.437 0.000 12.416) 12.653 15.374 ( -4.589 0.000 3.274) 5.638 15.546 ( -5.354 0.000 -3.969) 6.665 15.571 ( 5.871 0.000 -1.118) 5.976 15.938 ( -0.434 0.000 2.869) 2.901 16.164 ( -1.376 0.000 -1.358) 1.933 16.274 ( 5.526 0.000 -7.107) 9.003 16.402 ( -0.483 0.000 -4.021) 4.050 16.433 ( -2.296 0.000 -1.548) 2.769 16.627 ( -0.679 0.000 0.565) 0.884 16.649 ( -1.150 0.000 6.159) 6.265 16.717 ( 0.894 0.000 -3.494) 3.606 16.740 ( 0.986 0.000 -1.064) 1.451 16.781 ( -0.623 0.000 -0.739) 0.967 16.921 ( 2.674 0.000 -9.684) 10.047 17.042 ( -1.685 0.000 -7.269) 7.462 17.058 ( 3.406 0.000 -2.988) 4.531 17.351 ( -1.909 0.000 3.297) 3.809 17.389 ( -3.725 0.000 -2.451) 4.459 17.734 ( 0.528 0.000 2.212) 2.275 17.848 ( -2.953 0.000 3.310) 4.436 17.895 ( -4.909 0.000 2.347) 5.441 18.171 ( -4.476 0.000 -8.294) 9.425 19.224 ( 1.100 0.000 -3.302) 3.480 19.297 ( 0.186 0.000 -1.898) 1.907 19.386 ( -0.938 0.000 -4.174) 4.278 19.391 ( -0.816 0.000 -4.770) 4.840 ======================= Grid point 156 (51/120) ======================= q-point: ( 0.29 0.00 0.22) 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| 2.265 ( 20.839 0.000 34.502) 40.307 2.436 ( 28.426 0.000 29.303) 40.825 3.695 ( 37.655 0.000 41.814) 56.271 3.948 ( -30.739 0.000 20.084) 36.718 3.980 ( -21.811 0.000 25.082) 33.239 5.302 ( 7.324 0.000 -14.470) 16.218 5.446 ( 9.446 0.000 -15.389) 18.057 5.586 ( 4.993 0.000 -8.863) 10.173 5.808 ( -10.825 0.000 -3.271) 11.308 5.955 ( 8.065 0.000 -1.317) 8.171 6.271 ( -16.738 0.000 -13.312) 21.386 6.736 ( -0.376 0.000 -9.328) 9.335 7.000 ( -6.531 0.000 4.855) 8.138 7.002 ( -1.700 0.000 -4.153) 4.488 7.220 ( -8.420 0.000 -17.512) 19.431 7.225 ( 18.583 0.000 9.346) 20.801 7.571 ( -7.158 0.000 2.614) 7.620 7.982 ( 8.328 0.000 -4.483) 9.458 8.147 ( -8.682 0.000 5.694) 10.383 8.371 ( -4.313 0.000 2.555) 5.013 8.428 ( -1.840 0.000 -13.662) 13.786 8.576 ( -5.407 0.000 -2.188) 5.833 8.581 ( 11.043 0.000 -8.263) 13.792 9.103 ( -5.335 0.000 -8.006) 9.621 12.970 ( 5.483 0.000 8.918) 10.469 12.990 ( 6.413 0.000 1.963) 6.707 13.127 ( 1.889 0.000 14.323) 14.447 13.261 ( 0.759 0.000 7.335) 7.375 14.025 ( 4.649 0.000 8.216) 9.440 14.255 ( 15.083 0.000 7.765) 16.964 14.286 ( 17.526 0.000 1.157) 17.564 14.546 ( -7.090 0.000 11.176) 13.235 14.698 ( 4.891 0.000 3.231) 5.862 15.149 ( -6.075 0.000 11.190) 12.732 15.237 ( -9.159 0.000 5.120) 10.493 15.380 ( -11.436 0.000 -3.383) 11.926 15.718 ( 8.286 0.000 -1.589) 8.437 15.956 ( 2.684 0.000 0.553) 2.740 16.106 ( -4.549 0.000 -2.745) 5.313 16.295 ( -4.676 0.000 -3.519) 5.852 16.402 ( 1.022 0.000 -2.699) 2.886 16.465 ( 5.852 0.000 -6.792) 8.965 16.615 ( -0.561 0.000 -1.348) 1.460 16.629 ( -1.122 0.000 4.949) 5.075 16.703 ( -2.384 0.000 3.889) 4.561 16.740 ( 1.597 0.000 -2.837) 3.256 16.809 ( 1.012 0.000 -5.942) 6.028 16.948 ( -2.603 0.000 -10.352) 10.674 17.062 ( 6.851 0.000 -4.085) 7.976 17.137 ( 3.710 0.000 -3.820) 5.325 17.253 ( -5.937 0.000 0.901) 6.005 17.364 ( 0.911 0.000 2.116) 2.303 17.709 ( -5.689 0.000 4.175) 7.057 17.764 ( -7.999 0.000 2.725) 8.451 17.797 ( 0.241 0.000 -1.452) 1.472 18.056 ( -6.564 0.000 -5.495) 8.561 19.253 ( 1.805 0.000 -3.493) 3.932 19.304 ( 0.564 0.000 -2.402) 2.467 19.362 ( -1.431 0.000 -3.855) 4.112 19.369 ( -1.280 0.000 -4.368) 4.552 ======================= Grid point 157 (52/120) ======================= q-point: ( 0.43 0.00 0.22) 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| 2.745 ( 27.327 0.000 29.017) 39.859 2.960 ( 25.554 0.000 31.019) 40.189 3.327 ( -31.080 0.000 24.362) 39.490 3.465 ( -25.533 0.000 28.344) 38.148 4.572 ( 43.891 0.000 25.301) 50.661 5.357 ( -33.228 0.000 11.100) 35.033 5.458 ( 7.917 0.000 -11.460) 13.929 5.589 ( -4.437 0.000 -10.772) 11.650 5.668 ( 12.625 0.000 -13.963) 18.824 5.949 ( -15.531 0.000 -14.214) 21.054 6.206 ( 16.621 0.000 -9.562) 19.175 6.546 ( -15.964 0.000 -13.696) 21.034 6.969 ( 2.893 0.000 -8.768) 9.233 7.071 ( -6.632 0.000 -16.073) 17.388 7.120 ( 11.796 0.000 5.689) 13.097 7.368 ( -11.825 0.000 6.228) 13.365 7.613 ( 17.798 0.000 9.285) 20.075 7.927 ( -13.639 0.000 7.599) 15.613 8.136 ( 7.230 0.000 -1.153) 7.321 8.267 ( -6.021 0.000 1.477) 6.199 8.422 ( 1.313 0.000 -12.146) 12.217 8.478 ( -4.184 0.000 -7.658) 8.727 8.793 ( 10.053 0.000 -7.841) 12.749 8.971 ( -7.917 0.000 -7.842) 11.143 13.075 ( 4.572 0.000 10.030) 11.023 13.129 ( 6.818 0.000 4.584) 8.216 13.135 ( -1.304 0.000 11.792) 11.864 13.234 ( -3.471 0.000 6.554) 7.417 14.142 ( 7.506 0.000 8.251) 11.154 14.312 ( -8.724 0.000 9.086) 12.596 14.656 ( 18.665 0.000 1.038) 18.694 14.658 ( 17.057 0.000 8.531) 19.071 14.827 ( 6.784 0.000 4.086) 7.919 14.966 ( -12.769 0.000 9.679) 16.022 15.029 ( -10.638 0.000 4.977) 11.744 15.111 ( -14.307 0.000 -1.426) 14.378 15.872 ( 6.929 0.000 -2.380) 7.326 15.997 ( -5.997 0.000 -2.974) 6.694 16.044 ( 5.904 0.000 -1.187) 6.022 16.174 ( -6.802 0.000 -2.140) 7.130 16.462 ( 5.028 0.000 -0.935) 5.115 16.561 ( 3.284 0.000 -6.795) 7.546 16.571 ( -4.927 0.000 1.265) 5.086 16.601 ( -1.062 0.000 -3.606) 3.759 16.703 ( 2.525 0.000 4.378) 5.054 16.777 ( -3.923 0.000 -2.584) 4.698 16.788 ( 3.366 0.000 -4.981) 6.011 16.868 ( -4.472 0.000 -8.045) 9.204 17.173 ( 0.110 0.000 -2.171) 2.174 17.183 ( -0.970 0.000 -1.776) 2.024 17.268 ( 12.663 0.000 -2.886) 12.988 17.436 ( 6.399 0.000 2.915) 7.031 17.522 ( -12.064 0.000 -0.530) 12.076 17.593 ( -8.829 0.000 2.760) 9.251 17.844 ( 3.654 0.000 -0.740) 3.729 17.934 ( -5.478 0.000 -2.028) 5.841 19.292 ( 2.016 0.000 -3.647) 4.167 19.320 ( 1.009 0.000 -3.074) 3.235 19.330 ( -1.814 0.000 -3.742) 4.158 19.343 ( -1.305 0.000 -3.769) 3.988 ======================= Grid point 161 (53/120) ======================= q-point: ( 0.00 0.10 0.22) 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| 1.611 ( 0.000 15.938 32.410) 36.117 1.725 ( 0.000 -2.366 43.427) 43.492 3.303 ( 0.000 35.148 56.023) 66.136 4.530 ( 0.000 -2.183 16.051) 16.198 4.839 ( 0.000 10.881 1.012) 10.928 5.211 ( 0.000 -2.275 -8.190) 8.500 5.294 ( 0.000 7.346 -5.155) 8.975 5.375 ( 0.000 -1.030 -1.844) 2.113 5.761 ( 0.000 -4.585 3.562) 5.806 5.834 ( 0.000 2.748 -11.779) 12.095 6.396 ( 0.000 -6.905 9.297) 11.581 6.632 ( 0.000 -8.203 -9.643) 12.660 6.675 ( 0.000 -6.562 -9.652) 11.671 7.260 ( 0.000 0.705 -16.373) 16.388 7.313 ( 0.000 4.008 0.378) 4.026 7.494 ( 0.000 -12.925 -3.205) 13.316 7.566 ( 0.000 1.860 -15.075) 15.189 7.792 ( 0.000 5.958 2.511) 6.465 8.226 ( 0.000 -8.544 5.378) 10.096 8.235 ( 0.000 -1.498 -16.674) 16.742 8.478 ( 0.000 0.884 2.648) 2.792 8.601 ( 0.000 8.124 -6.675) 10.515 8.705 ( 0.000 -0.836 4.584) 4.660 9.098 ( 0.000 -11.179 -7.730) 13.592 12.826 ( 0.000 -1.123 5.050) 5.174 12.917 ( 0.000 1.501 -3.324) 3.647 13.054 ( 0.000 0.150 16.420) 16.421 13.160 ( 0.000 1.841 7.248) 7.479 13.848 ( 0.000 -4.176 2.931) 5.102 13.862 ( 0.000 -0.123 9.124) 9.125 14.034 ( 0.000 4.341 8.127) 9.214 14.608 ( 0.000 -1.292 0.299) 1.326 14.807 ( 0.000 8.108 10.210) 13.038 15.265 ( 0.000 0.572 10.606) 10.621 15.451 ( 0.000 -5.006 -0.753) 5.062 15.454 ( 0.000 3.487 4.572) 5.750 15.593 ( 0.000 -0.757 -4.104) 4.173 15.919 ( 0.000 -3.375 3.597) 4.932 16.138 ( 0.000 -2.159 0.351) 2.187 16.169 ( 0.000 -4.338 -2.887) 5.211 16.405 ( 0.000 0.086 -4.334) 4.335 16.482 ( 0.000 2.932 -1.272) 3.196 16.633 ( 0.000 -5.489 -3.746) 6.646 16.657 ( 0.000 2.076 2.170) 3.003 16.708 ( 0.000 3.033 4.152) 5.142 16.723 ( 0.000 -1.038 -2.900) 3.080 16.805 ( 0.000 2.184 -1.739) 2.791 16.964 ( 0.000 5.010 -4.647) 6.833 17.062 ( 0.000 3.797 -2.895) 4.774 17.072 ( 0.000 1.401 -6.405) 6.556 17.366 ( 0.000 0.039 3.213) 3.213 17.488 ( 0.000 5.273 -3.529) 6.345 17.687 ( 0.000 -4.254 0.373) 4.270 17.861 ( 0.000 -1.809 4.580) 4.924 17.875 ( 0.000 -5.456 2.801) 6.133 18.261 ( 0.000 2.911 -9.007) 9.466 19.189 ( 0.000 -2.208 -2.547) 3.371 19.299 ( 0.000 0.127 -1.955) 1.959 19.383 ( 0.000 -1.095 -3.467) 3.636 19.408 ( 0.000 0.833 -4.651) 4.725 ======================= Grid point 162 (54/120) ======================= q-point: ( 0.14 0.10 0.22) 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| 1.824 ( 13.692 0.545 38.287) 40.665 2.004 ( 29.929 11.384 28.064) 42.579 3.455 ( 15.956 32.493 52.936) 64.130 4.319 ( -19.549 -2.326 17.120) 26.090 4.663 ( -17.958 12.322 12.854) 25.289 5.238 ( -0.459 3.390 -13.674) 14.095 5.266 ( 4.918 -3.691 -8.713) 10.664 5.470 ( 7.663 2.315 -5.300) 9.601 5.805 ( 4.797 -3.546 1.621) 6.182 5.899 ( 3.943 4.243 -10.557) 12.042 6.502 ( -11.088 -7.146 -9.962) 16.530 6.572 ( 10.804 -7.019 3.010) 13.231 6.712 ( 6.140 -8.511 -2.765) 10.853 7.178 ( -7.705 1.089 -13.498) 15.580 7.274 ( -3.594 5.061 0.281) 6.214 7.442 ( -9.558 4.062 -10.288) 14.618 7.504 ( -0.383 -13.049 -2.770) 13.345 7.845 ( 3.646 0.656 -2.871) 4.687 8.198 ( -2.152 -6.154 4.966) 8.195 8.299 ( 4.889 -3.264 -15.936) 16.986 8.460 ( -1.828 1.478 2.835) 3.682 8.593 ( -0.268 7.673 -5.961) 9.720 8.669 ( -3.343 -0.349 3.164) 4.616 9.077 ( -2.143 -10.683 -7.634) 13.304 12.859 ( 3.342 -1.045 5.133) 6.214 12.932 ( 2.416 2.034 -0.475) 3.194 13.080 ( 2.242 0.073 15.381) 15.543 13.221 ( 4.323 1.407 6.057) 7.573 13.939 ( 7.292 0.456 7.954) 10.800 13.949 ( 9.749 -3.995 3.575) 11.126 14.062 ( 3.732 3.126 7.299) 8.773 14.624 ( 1.617 -1.004 1.473) 2.407 14.764 ( -4.064 8.156 9.492) 13.158 15.234 ( -3.120 0.005 9.638) 10.131 15.393 ( -4.392 1.161 4.602) 6.466 15.526 ( -0.307 -0.927 -0.714) 1.210 15.545 ( 0.916 -2.291 -2.715) 3.669 15.919 ( 0.240 -2.372 2.784) 3.665 16.124 ( -0.610 -2.374 -0.567) 2.515 16.255 ( 6.848 -4.106 -3.473) 8.708 16.387 ( -1.852 0.170 -4.226) 4.617 16.454 ( -2.416 2.252 -1.373) 3.576 16.614 ( -0.964 -1.373 0.556) 1.767 16.649 ( -3.105 -1.980 1.819) 4.107 16.686 ( 1.086 0.356 0.162) 1.155 16.770 ( 2.399 1.416 -3.834) 4.739 16.808 ( 0.347 2.799 -0.717) 2.910 16.969 ( 0.546 3.711 -5.997) 7.074 17.040 ( -1.423 1.037 -4.628) 4.951 17.106 ( 2.927 3.792 -3.712) 6.060 17.351 ( -1.862 -0.022 3.339) 3.823 17.440 ( -4.074 4.861 -2.761) 6.917 17.696 ( 0.805 -4.020 0.643) 4.150 17.809 ( -4.551 -3.551 2.821) 6.424 17.861 ( -1.865 -2.401 3.748) 4.826 18.207 ( -5.303 2.473 -8.238) 10.105 19.199 ( 0.973 -2.297 -2.648) 3.638 19.298 ( -0.052 -0.129 -2.128) 2.132 19.376 ( -0.607 -0.713 -3.337) 3.466 19.402 ( -0.598 0.984 -4.482) 4.628 ======================= Grid point 163 (55/120) ======================= q-point: ( 0.29 0.10 0.22) 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| 2.177 ( 21.861 -0.850 33.674) 40.157 2.636 ( 30.354 14.321 23.742) 41.111 3.829 ( -27.154 -1.274 19.958) 33.723 3.952 ( 31.490 23.044 40.495) 56.236 4.215 ( -24.137 14.755 21.044) 35.258 5.301 ( 5.717 -0.497 -12.106) 13.397 5.394 ( 7.628 -4.602 -11.576) 14.606 5.619 ( 5.227 3.014 -9.938) 11.626 5.878 ( -8.789 5.764 -2.930) 10.911 5.951 ( 10.487 0.789 -4.679) 11.511 6.224 ( -15.379 -4.563 -11.932) 19.992 6.691 ( 3.054 -5.266 -6.712) 9.061 6.906 ( 5.387 -7.238 0.761) 9.054 7.004 ( -6.825 -0.705 -6.884) 9.720 7.243 ( -9.135 3.329 -11.687) 15.203 7.262 ( 6.116 1.557 2.471) 6.778 7.454 ( -5.360 -11.061 1.844) 12.429 7.879 ( -1.694 -10.436 -1.067) 10.626 8.170 ( 0.449 2.583 3.463) 4.344 8.376 ( 2.235 -3.275 -14.934) 15.451 8.406 ( -3.590 2.731 2.832) 5.326 8.568 ( -4.529 0.054 -2.097) 4.992 8.647 ( 4.257 3.698 -4.285) 7.082 9.013 ( -4.342 -9.213 -7.394) 12.585 12.954 ( 5.892 -0.789 6.588) 8.873 13.020 ( 6.036 2.296 2.107) 6.792 13.125 ( 1.823 -0.204 12.813) 12.943 13.278 ( 1.032 1.595 5.959) 6.255 14.057 ( 4.550 3.091 7.382) 9.206 14.201 ( 13.954 -4.480 4.225) 15.252 14.266 ( 16.227 -0.930 5.255) 17.082 14.623 ( -3.798 4.957 6.312) 8.879 14.725 ( 3.999 3.646 4.737) 7.192 15.131 ( -7.748 -1.850 7.971) 11.269 15.270 ( -8.146 2.907 7.075) 11.174 15.364 ( -11.278 -1.261 -3.321) 11.824 15.694 ( 8.875 -1.903 -0.086) 9.077 15.943 ( 2.515 -1.544 0.781) 3.053 16.092 ( -3.137 -0.957 -1.963) 3.823 16.307 ( -5.522 -0.719 -2.076) 5.943 16.389 ( 3.730 0.237 -4.918) 6.177 16.446 ( 3.636 -2.394 -3.107) 5.348 16.588 ( -1.231 -1.575 4.572) 4.990 16.616 ( -0.457 -1.597 -0.183) 1.671 16.684 ( -0.874 0.639 2.227) 2.476 16.795 ( 0.480 2.785 -3.306) 4.350 16.831 ( 1.258 2.129 -4.804) 5.403 16.951 ( -3.045 0.426 -8.937) 9.451 17.054 ( 3.459 0.235 -2.483) 4.264 17.182 ( 4.026 3.350 -3.315) 6.199 17.265 ( -5.535 0.591 1.423) 5.745 17.397 ( 0.616 3.584 1.397) 3.896 17.686 ( -7.219 -3.955 -0.158) 8.233 17.709 ( -1.143 -1.847 3.551) 4.163 17.810 ( -2.258 -0.335 1.582) 2.777 18.069 ( -7.953 1.021 -5.992) 10.010 19.225 ( 1.571 -2.497 -2.850) 4.102 19.296 ( -0.250 -1.081 -2.588) 2.816 19.363 ( -0.595 0.390 -3.174) 3.253 19.387 ( -0.909 1.358 -4.065) 4.382 ======================= Grid point 164 (56/120) ======================= q-point: ( 0.43 0.10 0.22) 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| 2.669 ( 27.346 -0.972 27.951) 39.116 3.159 ( 12.345 10.801 25.191) 30.061 3.272 ( -16.416 4.537 23.566) 29.076 3.696 ( -25.596 16.509 24.197) 38.900 4.719 ( 39.982 14.702 25.535) 49.666 5.397 ( -14.455 1.121 -1.264) 14.553 5.454 ( -0.268 -0.221 -3.785) 3.801 5.570 ( -8.625 1.817 -2.580) 9.184 5.691 ( 6.851 1.057 -12.639) 14.415 5.921 ( -14.137 -2.579 -12.663) 19.154 6.245 ( 17.263 3.963 -12.572) 21.720 6.577 ( -14.369 2.755 -15.775) 21.515 6.955 ( 4.745 -3.189 -5.799) 8.143 7.050 ( 6.135 -3.324 -1.679) 7.176 7.085 ( -3.965 -1.154 -10.957) 11.709 7.276 ( -10.624 -8.889 4.783) 14.655 7.513 ( 13.758 -8.835 6.622) 17.640 7.757 ( -10.016 -13.588 4.304) 17.421 8.227 ( 4.502 5.871 1.821) 7.619 8.321 ( -4.738 4.419 2.864) 7.084 8.412 ( 2.151 -0.887 -11.781) 12.008 8.475 ( -4.193 -0.192 -6.670) 7.881 8.771 ( 7.150 -2.525 -6.287) 9.850 8.907 ( -6.286 -6.685 -7.029) 11.559 13.065 ( 4.686 -0.651 8.663) 9.871 13.121 ( 0.058 -0.220 9.518) 9.521 13.163 ( 5.136 2.040 4.613) 7.198 13.257 ( -3.167 2.078 5.275) 6.494 14.167 ( 6.910 2.571 7.303) 10.378 14.308 ( -5.216 -0.182 7.657) 9.266 14.614 ( 17.458 -2.448 5.247) 18.393 14.704 ( 14.590 2.496 1.551) 14.883 14.866 ( 7.073 3.376 5.601) 9.634 14.926 ( -11.496 -2.893 6.321) 13.434 15.049 ( -13.833 0.406 2.468) 14.057 15.121 ( -12.093 2.255 2.872) 12.632 15.859 ( 7.243 -1.252 -0.608) 7.375 15.975 ( -3.671 -1.732 -0.919) 4.162 16.052 ( 3.951 0.294 -2.169) 4.517 16.177 ( -7.041 0.119 -2.027) 7.328 16.460 ( 4.569 -0.239 -0.428) 4.595 16.517 ( 1.639 -4.064 -1.245) 4.555 16.569 ( -1.413 -1.945 -0.775) 2.526 16.577 ( -3.226 -0.209 -1.697) 3.651 16.722 ( 5.047 2.170 2.476) 6.026 16.809 ( -0.001 2.325 -2.220) 3.214 16.820 ( -1.393 2.979 -5.788) 6.657 16.873 ( -4.370 0.604 -7.271) 8.505 17.119 ( 2.040 -3.454 -2.333) 4.641 17.151 ( -2.465 -2.255 0.419) 3.367 17.328 ( 8.425 3.060 -3.136) 9.496 17.463 ( 5.498 2.696 3.175) 6.898 17.517 ( -8.848 -0.161 -1.802) 9.031 17.615 ( -7.646 1.982 3.028) 8.459 17.826 ( 3.352 -1.726 -0.713) 3.837 17.922 ( -6.322 -1.125 -2.576) 6.919 19.257 ( 1.605 -2.661 -3.021) 4.334 19.284 ( -1.002 -2.354 -3.001) 3.944 19.358 ( 0.173 1.636 -3.207) 3.605 19.369 ( -0.813 1.753 -3.583) 4.071 ======================= Grid point 168 (57/120) ======================= q-point: ( 0.00 0.20 0.22) 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| 1.901 ( 0.000 20.740 30.186) 36.624 2.023 ( 0.000 25.445 27.926) 37.780 4.077 ( 0.000 42.270 42.641) 60.042 4.559 ( 0.000 5.321 10.534) 11.802 5.024 ( 0.000 5.720 -7.138) 9.147 5.049 ( 0.000 -12.309 8.590) 15.010 5.468 ( 0.000 8.939 -13.714) 16.370 5.484 ( 0.000 11.270 7.085) 13.312 5.668 ( 0.000 -2.592 -3.115) 4.053 5.874 ( 0.000 0.877 -7.179) 7.232 6.288 ( 0.000 -2.995 0.539) 3.043 6.435 ( 0.000 -11.503 -6.474) 13.200 6.509 ( 0.000 -10.320 -9.598) 14.093 7.189 ( 0.000 -16.197 -4.843) 16.905 7.253 ( 0.000 -1.926 -19.572) 19.667 7.310 ( 0.000 -6.148 -9.701) 11.485 7.551 ( 0.000 -5.723 -16.153) 17.137 7.974 ( 0.000 12.378 13.145) 18.056 8.053 ( 0.000 -6.827 4.487) 8.170 8.215 ( 0.000 -0.764 -19.993) 20.008 8.500 ( 0.000 1.193 3.687) 3.875 8.676 ( 0.000 -3.668 6.334) 7.320 8.757 ( 0.000 7.121 -0.838) 7.170 8.795 ( 0.000 -17.809 -4.703) 18.419 12.813 ( 0.000 -0.030 2.315) 2.315 12.947 ( 0.000 1.528 -6.008) 6.199 13.057 ( 0.000 0.017 11.726) 11.726 13.196 ( 0.000 1.344 2.875) 3.174 13.767 ( 0.000 -3.367 3.229) 4.666 13.876 ( 0.000 1.801 8.105) 8.302 14.144 ( 0.000 6.521 6.063) 8.904 14.570 ( 0.000 -2.743 -0.384) 2.770 14.989 ( 0.000 9.260 4.103) 10.128 15.250 ( 0.000 -2.410 6.542) 6.972 15.358 ( 0.000 -3.408 0.843) 3.510 15.544 ( 0.000 5.318 7.486) 9.183 15.569 ( 0.000 -1.579 -2.811) 3.224 15.826 ( 0.000 -5.209 2.637) 5.838 16.068 ( 0.000 -4.844 2.568) 5.483 16.130 ( 0.000 1.115 2.212) 2.478 16.407 ( 0.000 -0.095 -3.728) 3.729 16.494 ( 0.000 -8.118 -3.920) 9.015 16.571 ( 0.000 5.240 -0.729) 5.291 16.700 ( 0.000 1.871 1.778) 2.581 16.726 ( 0.000 0.828 0.996) 1.295 16.763 ( 0.000 2.954 3.285) 4.417 16.835 ( 0.000 0.989 -4.094) 4.211 17.050 ( 0.000 3.327 -1.650) 3.714 17.121 ( 0.000 3.627 -2.509) 4.411 17.155 ( 0.000 5.406 -1.332) 5.567 17.365 ( 0.000 -0.151 3.213) 3.216 17.569 ( 0.000 -7.297 -1.654) 7.482 17.625 ( 0.000 8.427 -4.603) 9.602 17.774 ( 0.000 -4.946 4.130) 6.444 17.807 ( 0.000 -3.739 4.125) 5.568 18.296 ( 0.000 0.530 -8.294) 8.311 19.138 ( 0.000 -2.806 -0.759) 2.907 19.285 ( 0.000 -1.890 -1.660) 2.516 19.372 ( 0.000 0.357 -2.155) 2.185 19.427 ( 0.000 1.010 -4.097) 4.219 ======================= Grid point 169 (58/120) ======================= q-point: ( 0.14 0.20 0.22) 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| 2.013 ( 11.460 19.934 27.820) 36.092 2.334 ( 27.617 21.541 23.909) 42.407 4.187 ( 11.332 40.447 41.094) 58.763 4.354 ( -18.847 6.151 11.391) 22.865 4.869 ( -13.204 5.206 7.791) 16.191 5.158 ( 6.102 -4.246 0.842) 7.482 5.299 ( -7.210 1.746 -3.786) 8.328 5.569 ( 5.664 6.332 -10.041) 13.153 5.756 ( 8.862 1.155 -5.963) 10.744 5.991 ( 6.578 4.732 -7.758) 11.218 6.330 ( -8.377 -10.095 -7.179) 14.953 6.429 ( 7.877 -7.201 -1.622) 10.795 6.526 ( 4.977 -9.547 -4.652) 11.728 7.182 ( -5.538 -3.946 -15.657) 17.070 7.202 ( -1.442 -14.471 -6.125) 15.780 7.279 ( -1.958 -4.323 -9.892) 10.972 7.500 ( -5.531 -2.950 -12.706) 14.168 7.835 ( -9.696 1.240 9.512) 13.639 8.131 ( 4.545 0.359 3.883) 5.988 8.251 ( 3.182 -1.842 -18.573) 18.933 8.495 ( -0.749 1.721 4.242) 4.638 8.647 ( -2.946 -2.274 5.402) 6.560 8.732 ( -2.173 5.536 -0.571) 5.974 8.786 ( -0.936 -17.652 -5.067) 18.388 12.849 ( 3.663 0.187 2.779) 4.602 12.972 ( 3.000 1.849 -3.956) 5.298 13.083 ( 2.089 0.264 11.007) 11.206 13.248 ( 4.084 0.994 2.096) 4.697 13.863 ( 9.239 -3.541 2.820) 10.289 13.962 ( 8.697 1.579 7.110) 11.343 14.156 ( 1.549 6.120 5.540) 8.399 14.592 ( 2.399 -2.404 0.493) 3.432 14.943 ( -4.332 9.152 4.027) 10.897 15.209 ( -4.119 -2.614 6.207) 7.895 15.384 ( 1.349 -1.267 2.793) 3.350 15.499 ( -6.089 -1.819 -3.033) 7.042 15.564 ( 2.280 4.236 6.294) 7.922 15.844 ( 1.657 -4.637 2.227) 5.404 16.113 ( 1.103 0.811 2.161) 2.558 16.142 ( 4.000 -5.578 1.788) 7.093 16.385 ( -1.751 -0.889 -3.154) 3.715 16.479 ( -2.366 -4.521 -2.813) 5.826 16.569 ( 0.537 2.555 -1.370) 2.948 16.655 ( -3.803 2.014 2.890) 5.184 16.715 ( 0.036 1.325 2.777) 3.077 16.804 ( 2.366 2.028 -2.705) 4.127 16.845 ( 0.862 1.064 -1.776) 2.242 17.025 ( -2.400 2.151 -3.720) 4.922 17.097 ( -1.350 4.287 -0.107) 4.496 17.190 ( 2.671 4.532 -2.153) 5.683 17.350 ( -1.916 -0.143 3.265) 3.788 17.523 ( -4.204 -1.002 -2.434) 4.960 17.624 ( 0.235 1.379 -2.017) 2.455 17.739 ( -3.022 -3.468 2.927) 5.452 17.805 ( -0.616 -3.443 3.706) 5.096 18.238 ( -5.683 0.597 -7.726) 9.610 19.146 ( 0.860 -2.855 -0.862) 3.103 19.279 ( -0.636 -2.064 -1.661) 2.725 19.374 ( 0.164 0.635 -2.247) 2.341 19.424 ( -0.349 1.123 -3.974) 4.144 ======================= Grid point 170 (59/120) ======================= q-point: ( 0.29 0.20 0.22) 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| 2.334 ( 20.323 17.192 23.842) 35.736 2.950 ( 31.405 18.221 19.090) 41.021 3.890 ( -26.513 8.211 13.676) 30.941 4.485 ( -13.981 18.881 20.131) 30.939 4.551 ( 15.704 28.988 30.471) 44.893 5.242 ( 3.890 -5.535 -0.882) 6.823 5.320 ( 6.038 -3.149 -10.491) 12.508 5.659 ( 2.316 0.666 -9.062) 9.377 5.974 ( 5.240 5.745 -3.262) 8.433 6.054 ( 5.283 7.650 -11.480) 14.772 6.114 ( -11.863 -5.753 -8.591) 15.736 6.516 ( 4.698 -12.269 -3.549) 13.609 6.751 ( 11.915 -7.498 -2.328) 14.269 7.011 ( -9.969 1.013 -16.394) 19.214 7.134 ( -5.658 -16.419 -0.695) 17.380 7.269 ( 0.709 -4.907 -4.680) 6.818 7.335 ( -10.041 2.482 -9.100) 13.776 7.649 ( -8.699 -9.564 3.275) 13.336 8.223 ( 4.750 2.119 2.860) 5.936 8.320 ( 3.574 -2.406 -15.784) 16.361 8.463 ( -2.550 2.466 4.641) 5.841 8.567 ( -4.740 -0.600 1.783) 5.100 8.691 ( -1.479 0.493 -0.699) 1.708 8.758 ( -1.836 -15.891 -5.046) 16.774 12.949 ( 5.994 0.399 4.178) 7.318 13.069 ( 6.436 2.506 -1.638) 7.098 13.122 ( 1.463 0.069 9.232) 9.348 13.310 ( 1.571 1.343 2.248) 3.054 14.088 ( 10.954 -1.883 3.034) 11.522 14.172 ( 9.446 3.229 5.347) 11.325 14.259 ( 12.330 0.699 3.443) 12.821 14.658 ( 3.186 -0.814 1.595) 3.654 14.854 ( -2.341 7.884 4.154) 9.214 15.085 ( -8.414 -2.373 5.627) 10.397 15.314 ( -11.042 0.407 0.357) 11.055 15.360 ( -5.673 1.902 2.804) 6.608 15.674 ( 8.027 0.311 3.982) 8.965 15.891 ( 3.080 -3.654 0.806) 4.846 16.089 ( -2.784 0.513 0.034) 2.831 16.240 ( 1.923 -4.837 1.870) 5.531 16.358 ( 0.382 -3.332 -2.255) 4.042 16.424 ( -1.451 -1.604 1.196) 2.472 16.586 ( -1.488 2.080 0.822) 2.686 16.598 ( 0.439 0.150 -0.806) 0.930 16.711 ( -0.031 1.723 3.397) 3.809 16.833 ( 0.552 1.253 -4.205) 4.422 16.872 ( 1.353 1.635 -2.466) 3.253 16.968 ( -2.772 1.493 -5.405) 6.255 17.080 ( -0.347 2.218 -0.039) 2.246 17.241 ( -3.129 1.904 0.229) 3.670 17.273 ( -0.349 1.023 -0.001) 1.081 17.468 ( -0.189 1.311 1.282) 1.843 17.622 ( -1.872 -0.162 -2.669) 3.263 17.673 ( -2.313 -2.415 2.726) 4.314 17.782 ( -1.360 -2.256 2.338) 3.522 18.085 ( -9.293 0.506 -6.251) 11.211 19.170 ( 1.475 -2.931 -1.106) 3.463 19.261 ( -1.145 -2.429 -1.653) 3.153 19.379 ( 0.391 1.163 -2.507) 2.792 19.414 ( -0.585 1.370 -3.661) 3.953 ======================= Grid point 171 (60/120) ======================= q-point: ( 0.43 0.20 0.22) 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| 2.793 ( 25.609 14.032 19.892) 35.333 3.315 ( -23.508 11.494 16.811) 31.102 3.551 ( 22.009 17.911 18.401) 33.820 4.032 ( -24.072 17.680 18.432) 35.097 5.088 ( 27.932 20.031 20.247) 39.892 5.346 ( 3.944 -5.469 -6.147) 9.124 5.414 ( 3.655 -1.730 -1.654) 4.369 5.660 ( -5.422 0.121 -8.635) 10.197 5.779 ( -11.692 12.213 7.854) 18.643 5.873 ( -11.273 -0.817 -9.025) 14.464 6.351 ( 16.676 6.419 -17.462) 24.984 6.597 ( -2.864 -4.362 -12.800) 13.823 6.809 ( 0.109 -7.652 -3.139) 8.272 6.962 ( -7.412 -13.842 0.657) 15.716 6.999 ( 4.871 -4.168 -7.000) 9.492 7.154 ( -8.217 -0.560 -10.568) 13.398 7.334 ( 6.202 -8.266 -0.486) 10.346 7.484 ( -8.188 -12.429 1.162) 14.929 8.314 ( 4.364 2.512 2.624) 5.678 8.393 ( 2.598 -0.394 -8.822) 9.205 8.397 ( -2.637 2.181 2.662) 4.336 8.475 ( -4.350 0.120 -3.104) 5.345 8.684 ( 0.785 -6.595 -2.465) 7.084 8.716 ( -2.181 -12.413 -4.313) 13.321 13.061 ( 4.706 0.359 5.713) 7.410 13.122 ( -1.396 0.400 7.344) 7.486 13.206 ( 6.389 2.233 0.297) 6.775 13.300 ( -2.734 1.972 1.882) 3.861 14.236 ( 6.158 4.141 4.761) 8.817 14.318 ( 0.960 1.512 4.683) 5.014 14.559 ( 14.843 -3.362 1.972) 15.347 14.709 ( 4.209 -3.186 -1.328) 5.443 14.894 ( -6.964 1.583 5.102) 8.777 14.952 ( 8.160 4.421 5.028) 10.555 15.051 ( -12.928 0.777 -0.595) 12.965 15.194 ( -11.038 4.369 5.885) 13.250 15.830 ( 6.891 -1.609 2.501) 7.505 15.930 ( -1.984 -3.111 0.633) 3.743 16.057 ( 2.998 0.542 -0.750) 3.137 16.172 ( -6.269 -0.494 0.047) 6.289 16.415 ( 2.980 -5.586 3.336) 7.156 16.432 ( 0.991 -3.447 3.887) 5.289 16.555 ( -0.604 1.188 -0.653) 1.484 16.584 ( -2.599 0.506 -3.248) 4.190 16.775 ( 6.720 2.777 1.555) 7.436 16.842 ( 0.634 1.172 -2.532) 2.861 16.867 ( -1.321 1.204 -4.400) 4.749 16.915 ( -4.486 3.940 -4.773) 7.644 17.077 ( -0.064 -0.950 -0.703) 1.183 17.105 ( -4.547 -2.013 2.450) 5.543 17.363 ( 5.734 1.012 -1.526) 6.019 17.468 ( -3.169 -1.696 1.436) 3.870 17.577 ( 1.506 4.958 -1.344) 5.353 17.643 ( -2.714 0.068 2.345) 3.588 17.785 ( 2.742 -2.014 -0.716) 3.476 17.900 ( -8.448 -0.701 -3.891) 9.328 19.202 ( 1.689 -2.919 -1.371) 3.641 19.234 ( -1.526 -2.751 -1.568) 3.515 19.389 ( 0.590 1.519 -2.871) 3.301 19.401 ( -0.667 1.561 -3.270) 3.685 ======================= Grid point 175 (61/120) ======================= q-point: ( 0.00 0.30 0.22) 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| 2.458 ( 0.000 34.428 15.445) 37.734 2.562 ( 0.000 29.515 24.336) 38.254 4.633 ( 0.000 -7.863 14.693) 16.665 4.736 ( 0.000 12.760 3.239) 13.164 4.941 ( 0.000 -14.714 -1.959) 14.843 5.026 ( 0.000 31.949 29.381) 43.405 5.665 ( 0.000 9.941 -10.476) 14.442 5.687 ( 0.000 11.468 4.465) 12.307 5.787 ( 0.000 12.849 -9.387) 15.913 5.886 ( 0.000 1.916 -5.902) 6.205 6.209 ( 0.000 -11.373 -2.925) 11.743 6.225 ( 0.000 -9.180 -9.075) 12.908 6.355 ( 0.000 0.417 -9.262) 9.271 6.871 ( 0.000 -15.752 -4.189) 16.299 7.136 ( 0.000 -10.966 -14.221) 17.958 7.173 ( 0.000 -6.477 -21.793) 22.735 7.308 ( 0.000 -17.721 -12.606) 21.747 8.000 ( 0.000 -1.636 -1.625) 2.306 8.190 ( 0.000 1.532 -10.886) 10.994 8.234 ( 0.000 10.061 7.880) 12.779 8.268 ( 0.000 -25.365 -2.719) 25.511 8.580 ( 0.000 3.348 6.366) 7.193 8.679 ( 0.000 -1.408 8.892) 9.002 8.856 ( 0.000 2.790 2.520) 3.759 12.829 ( 0.000 1.814 -0.406) 1.859 12.976 ( 0.000 1.459 -9.826) 9.933 13.048 ( 0.000 -1.047 4.528) 4.648 13.197 ( 0.000 -1.480 -2.135) 2.597 13.742 ( 0.000 1.224 3.402) 3.616 13.929 ( 0.000 3.405 6.566) 7.397 14.264 ( 0.000 5.305 3.425) 6.314 14.495 ( 0.000 -4.991 -1.823) 5.313 15.097 ( 0.000 1.326 -1.013) 1.668 15.185 ( 0.000 -3.641 5.632) 6.706 15.378 ( 0.000 6.010 0.039) 6.010 15.538 ( 0.000 -1.375 0.562) 1.486 15.632 ( 0.000 2.768 5.378) 6.049 15.748 ( 0.000 -2.176 2.600) 3.390 16.016 ( 0.000 -0.127 6.449) 6.451 16.163 ( 0.000 1.883 3.769) 4.214 16.335 ( 0.000 -7.985 -1.600) 8.144 16.391 ( 0.000 -1.855 -3.536) 3.993 16.653 ( 0.000 3.123 3.912) 5.006 16.719 ( 0.000 0.266 1.476) 1.500 16.733 ( 0.000 -0.402 3.232) 3.257 16.844 ( 0.000 5.448 2.135) 5.852 16.856 ( 0.000 1.138 -3.878) 4.041 17.091 ( 0.000 1.134 1.751) 2.086 17.210 ( 0.000 5.375 1.516) 5.585 17.251 ( 0.000 3.863 0.487) 3.894 17.359 ( 0.000 -0.548 2.994) 3.044 17.436 ( 0.000 -5.526 -3.075) 6.324 17.675 ( 0.000 -5.326 4.741) 7.131 17.712 ( 0.000 -5.177 3.256) 6.116 17.804 ( 0.000 8.953 -5.633) 10.578 18.283 ( 0.000 -1.816 -7.531) 7.747 19.091 ( 0.000 -1.741 1.478) 2.284 19.230 ( 0.000 -3.444 0.401) 3.467 19.393 ( 0.000 1.501 -2.345) 2.784 19.445 ( 0.000 0.715 -3.558) 3.629 ======================= Grid point 176 (62/120) ======================= q-point: ( 0.14 0.30 0.22) 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| 2.545 ( 8.986 32.910 14.368) 37.017 2.807 ( 22.490 26.647 21.683) 41.061 4.553 ( -16.604 13.958 4.235) 22.101 4.687 ( 3.957 -9.955 10.947) 15.317 4.949 ( 2.452 5.406 10.301) 11.889 5.116 ( 6.655 14.028 15.945) 22.256 5.406 ( -14.401 12.404 9.536) 21.265 5.701 ( -1.446 8.347 -13.232) 15.711 5.892 ( 11.933 10.225 -13.173) 20.506 6.053 ( 2.444 -2.073 -5.668) 6.511 6.135 ( -1.708 -6.432 -2.981) 7.292 6.250 ( 1.475 -9.573 -5.076) 10.936 6.448 ( 9.042 1.705 -9.885) 13.505 6.858 ( -1.902 -16.900 -2.847) 17.243 7.089 ( -3.711 -10.977 -14.015) 18.185 7.159 ( -1.837 -5.893 -18.666) 19.660 7.300 ( -0.974 -14.227 -15.499) 21.061 7.934 ( -8.944 5.824 4.915) 11.750 8.168 ( -1.162 -1.764 7.239) 7.541 8.222 ( 1.816 -2.147 -16.641) 16.877 8.291 ( 1.713 -18.079 -1.774) 18.247 8.593 ( 0.188 3.483 7.040) 7.856 8.644 ( -3.407 -1.946 7.672) 8.617 8.808 ( -4.508 2.010 2.724) 5.638 12.869 ( 3.898 1.911 -0.035) 4.342 13.000 ( 3.148 1.003 -6.764) 7.528 13.088 ( 2.908 0.212 3.299) 4.403 13.245 ( 4.167 -1.443 -2.765) 5.205 13.832 ( 8.793 0.758 2.469) 9.164 14.003 ( 7.546 2.549 5.315) 9.576 14.276 ( 1.288 5.590 2.892) 6.424 14.522 ( 2.752 -5.034 -1.342) 5.892 15.067 ( -3.433 2.698 0.122) 4.368 15.153 ( -3.032 -2.393 4.927) 6.261 15.396 ( 0.856 3.083 -1.324) 3.463 15.491 ( -4.257 1.234 2.196) 4.947 15.641 ( 1.074 2.549 5.272) 5.954 15.768 ( 1.916 -2.733 2.332) 4.072 16.053 ( 3.029 -2.102 6.089) 7.118 16.159 ( 0.007 2.479 3.992) 4.700 16.315 ( -1.758 -6.635 -0.798) 6.910 16.387 ( -0.634 -3.078 -2.431) 3.973 16.631 ( -1.638 2.377 3.452) 4.499 16.697 ( -2.462 1.230 -0.861) 2.883 16.739 ( 0.573 1.413 4.970) 5.199 16.843 ( 0.431 1.558 -2.140) 2.682 16.868 ( 0.721 2.202 -0.243) 2.330 17.063 ( -2.497 1.760 1.000) 3.215 17.185 ( -2.373 4.731 1.707) 5.561 17.270 ( 1.839 3.219 0.617) 3.758 17.339 ( -2.398 -1.167 2.565) 3.700 17.432 ( -0.360 -4.263 -2.052) 4.745 17.638 ( -2.802 -4.196 4.187) 6.557 17.705 ( -0.974 -3.807 2.271) 4.539 17.792 ( -1.280 6.664 -4.537) 8.163 18.230 ( -5.262 -1.453 -7.158) 9.002 19.099 ( 0.752 -1.827 1.374) 2.407 19.224 ( -0.613 -3.312 0.393) 3.391 19.396 ( 0.316 1.476 -2.395) 2.831 19.443 ( -0.184 0.788 -3.479) 3.572 ======================= Grid point 177 (63/120) ======================= q-point: ( 0.29 0.30 0.22) 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| 2.803 ( 16.655 29.582 12.468) 36.166 3.341 ( 28.922 22.008 16.947) 40.100 4.143 ( -23.309 17.479 6.270) 29.801 4.681 ( -8.505 0.865 9.295) 12.628 5.048 ( 4.504 10.320 11.240) 15.910 5.134 ( 1.407 -10.422 0.009) 10.516 5.369 ( 9.866 21.239 15.658) 28.171 5.692 ( -1.067 3.913 -10.073) 10.859 5.943 ( -6.547 -8.697 -5.185) 12.058 6.122 ( 2.750 2.482 0.802) 3.791 6.163 ( 9.925 0.915 -13.791) 17.016 6.333 ( 4.696 0.077 -5.891) 7.534 6.655 ( 10.199 -1.761 -10.854) 14.998 6.781 ( -5.572 -17.633 -0.233) 18.494 6.999 ( -5.730 -4.905 -17.101) 18.690 7.112 ( -2.374 -9.743 -8.466) 13.124 7.267 ( -2.124 -6.575 -19.331) 20.529 7.663 ( -16.010 8.531 7.597) 19.667 8.202 ( 3.546 -10.396 2.586) 11.285 8.271 ( 2.821 -4.306 -12.695) 13.699 8.344 ( 3.798 -10.066 -0.902) 10.796 8.547 ( -5.041 -1.876 5.399) 7.621 8.565 ( -4.136 -0.175 5.227) 6.668 8.699 ( -5.965 0.116 3.094) 6.721 12.972 ( 5.959 1.896 0.873) 6.314 13.096 ( 5.459 0.159 -2.744) 6.112 13.143 ( 2.901 2.073 1.312) 3.799 13.319 ( 2.417 -0.599 -2.281) 3.376 14.063 ( 13.401 0.295 0.793) 13.427 14.215 ( 12.862 0.586 2.501) 13.116 14.323 ( 3.864 5.327 1.312) 6.711 14.601 ( 4.527 -5.001 -1.071) 6.831 14.972 ( -4.777 3.424 2.812) 6.516 15.070 ( -4.994 1.373 3.552) 6.280 15.306 ( -9.730 -0.067 -3.120) 10.218 15.424 ( -4.186 4.043 5.189) 7.797 15.698 ( 4.950 1.273 4.828) 7.031 15.820 ( 3.204 -3.162 1.153) 4.647 16.075 ( -1.217 -1.969 4.057) 4.671 16.197 ( 2.997 1.078 4.978) 5.909 16.275 ( -1.561 -5.389 2.304) 6.065 16.368 ( -0.965 -3.362 2.134) 4.097 16.609 ( -0.749 0.824 0.784) 1.362 16.638 ( -2.910 1.921 -1.989) 4.015 16.752 ( 1.114 2.370 3.347) 4.250 16.847 ( 0.125 0.396 -1.542) 1.597 16.892 ( 1.204 0.714 -0.863) 1.645 17.013 ( -1.830 3.007 -0.071) 3.521 17.128 ( -3.084 2.518 1.526) 4.264 17.239 ( -7.446 -1.081 1.811) 7.739 17.319 ( 2.748 2.801 0.240) 3.931 17.433 ( 0.632 -2.791 1.629) 3.293 17.599 ( -0.824 -3.933 2.565) 4.767 17.670 ( -2.433 -0.929 -0.614) 2.676 17.765 ( -0.883 3.362 -2.360) 4.201 18.087 ( -8.769 -0.415 -6.146) 10.716 19.120 ( 1.347 -2.046 1.111) 2.689 19.207 ( -1.121 -3.005 0.415) 3.234 19.405 ( 0.544 1.412 -2.540) 2.956 19.437 ( -0.374 0.963 -3.278) 3.437 ======================= Grid point 178 (64/120) ======================= q-point: ( 0.43 0.30 0.22) 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| 3.187 ( 21.791 25.458 10.411) 35.090 3.638 ( -21.563 21.178 8.758) 31.467 3.915 ( 22.891 19.710 13.924) 33.262 4.365 ( -20.678 16.180 13.111) 29.347 5.137 ( 6.015 -10.810 -2.682) 12.659 5.218 ( 0.332 -9.627 -0.694) 9.658 5.574 ( 7.509 6.284 -0.201) 9.794 5.657 ( -1.697 1.166 -3.494) 4.056 5.894 ( 4.878 11.620 4.881) 13.515 6.083 ( -7.649 12.479 8.766) 17.061 6.354 ( 7.864 -12.628 -1.311) 14.934 6.443 ( 4.203 -3.273 -14.354) 15.310 6.667 ( -2.404 -8.529 -2.157) 9.120 6.755 ( -4.499 -1.523 -13.331) 14.152 6.936 ( 3.909 -2.587 -15.091) 15.802 7.049 ( -4.880 -10.269 -6.847) 13.272 7.254 ( 2.277 -0.681 -13.357) 13.567 7.384 ( -10.823 2.832 -0.498) 11.198 8.287 ( 4.710 -11.107 1.709) 12.185 8.327 ( 2.255 -6.643 -6.546) 9.595 8.410 ( 0.125 -0.730 2.867) 2.961 8.443 ( -4.556 -4.715 1.095) 6.648 8.495 ( 0.603 -4.315 1.709) 4.680 8.584 ( -5.701 -2.113 2.412) 6.541 13.080 ( 4.445 1.573 1.723) 5.020 13.135 ( -0.923 0.796 2.461) 2.746 13.244 ( 5.780 1.673 -2.825) 6.647 13.325 ( -1.965 0.515 -1.927) 2.800 14.304 ( 9.578 2.768 1.263) 10.049 14.384 ( 2.481 5.173 1.351) 5.894 14.485 ( 10.305 -4.119 -1.990) 11.275 14.616 ( -3.775 -5.035 -3.213) 7.066 14.947 ( 1.008 2.768 4.360) 5.262 15.040 ( 5.156 4.499 3.088) 7.508 15.084 ( -9.541 2.156 -0.034) 9.782 15.265 ( -11.350 2.484 3.913) 12.260 15.802 ( 4.643 -1.138 3.904) 6.172 15.861 ( -0.557 -3.404 1.503) 3.762 16.076 ( 3.172 1.225 3.314) 4.748 16.170 ( -4.587 0.395 3.084) 5.541 16.310 ( 3.140 -4.941 7.728) 9.696 16.352 ( -1.074 -4.465 6.820) 8.222 16.586 ( -0.991 1.279 -1.525) 2.224 16.594 ( -1.593 0.650 -3.588) 3.979 16.806 ( 4.020 0.105 -1.968) 4.477 16.864 ( -0.131 0.755 1.488) 1.673 16.895 ( 1.723 2.427 -1.192) 3.207 16.995 ( -3.031 4.038 -1.951) 5.413 17.063 ( -2.293 -0.748 2.308) 3.338 17.097 ( -4.357 1.216 3.589) 5.775 17.379 ( 3.253 0.777 0.239) 3.353 17.433 ( -1.481 -1.617 1.966) 2.945 17.603 ( 0.982 -3.702 0.718) 3.897 17.627 ( -1.561 -1.124 -0.588) 2.011 17.782 ( 3.394 2.471 -2.687) 4.984 17.907 ( -8.597 1.199 -4.652) 9.848 19.150 ( 1.602 -2.334 0.799) 2.942 19.181 ( -1.485 -2.659 0.545) 3.094 19.416 ( 0.616 1.311 -2.761) 3.118 19.428 ( -0.539 1.157 -3.021) 3.279 ======================= Grid point 182 (65/120) ======================= q-point: ( 0.00 0.40 0.22) 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| 3.141 ( 0.000 29.602 21.707) 36.708 3.159 ( 0.000 36.260 8.432) 37.228 4.275 ( 0.000 -22.479 15.359) 27.225 4.524 ( 0.000 -26.722 2.197) 26.812 5.039 ( 0.000 17.985 -3.431) 18.310 5.622 ( 0.000 11.235 6.784) 13.124 5.771 ( 0.000 -2.796 -8.138) 8.605 5.931 ( 0.000 8.198 -7.005) 10.783 6.007 ( 0.000 -0.107 2.300) 2.303 6.025 ( 0.000 21.070 6.932) 22.181 6.066 ( 0.000 10.124 -8.049) 12.934 6.135 ( 0.000 6.692 -9.740) 11.817 6.444 ( 0.000 6.146 -13.287) 14.639 6.604 ( 0.000 -10.580 -3.333) 11.092 6.923 ( 0.000 -19.602 -12.561) 23.281 6.930 ( 0.000 -8.301 -14.923) 17.076 7.023 ( 0.000 -9.776 -21.971) 24.048 7.587 ( 0.000 -34.534 5.092) 34.907 8.101 ( 0.000 1.989 -8.250) 8.487 8.176 ( 0.000 -1.261 -14.941) 14.994 8.438 ( 0.000 8.972 14.542) 17.087 8.641 ( 0.000 -1.661 11.341) 11.462 8.680 ( 0.000 5.062 7.124) 8.739 8.862 ( 0.000 -2.019 4.808) 5.214 12.882 ( 0.000 3.487 -2.862) 4.511 13.009 ( 0.000 2.098 -11.626) 11.813 13.014 ( 0.000 -2.435 -2.043) 3.179 13.140 ( 0.000 -4.009 -6.365) 7.523 13.816 ( 0.000 5.963 3.368) 6.849 13.983 ( 0.000 1.177 4.891) 5.031 14.330 ( 0.000 1.365 1.106) 1.757 14.389 ( 0.000 -5.120 -2.322) 5.622 15.097 ( 0.000 -0.154 -0.102) 0.184 15.129 ( 0.000 -1.995 5.011) 5.394 15.520 ( 0.000 3.437 -2.331) 4.153 15.538 ( 0.000 5.524 1.212) 5.655 15.621 ( 0.000 -2.815 2.284) 3.625 15.743 ( 0.000 -0.395 -0.409) 0.568 16.054 ( 0.000 3.384 8.309) 8.972 16.175 ( 0.000 -2.370 9.129) 9.431 16.222 ( 0.000 -1.384 -2.220) 2.616 16.330 ( 0.000 -4.230 -2.193) 4.765 16.697 ( 0.000 0.935 7.905) 7.960 16.716 ( 0.000 -1.023 3.822) 3.956 16.733 ( 0.000 2.313 0.859) 2.468 16.859 ( 0.000 -1.399 -0.458) 1.472 16.956 ( 0.000 5.576 1.776) 5.852 17.098 ( 0.000 -0.705 3.979) 4.041 17.276 ( 0.000 -0.412 2.526) 2.559 17.314 ( 0.000 3.553 4.942) 6.086 17.349 ( 0.000 1.084 2.273) 2.518 17.408 ( 0.000 2.648 -3.354) 4.273 17.566 ( 0.000 -5.896 5.058) 7.768 17.599 ( 0.000 -6.089 1.892) 6.376 17.976 ( 0.000 8.398 -6.670) 10.725 18.226 ( 0.000 -4.159 -7.211) 8.324 19.077 ( 0.000 0.330 3.120) 3.137 19.161 ( 0.000 -3.472 2.391) 4.215 19.423 ( 0.000 1.438 -2.665) 3.028 19.452 ( 0.000 0.036 -3.166) 3.166 ======================= Grid point 183 (66/120) ======================= q-point: ( 0.14 0.40 0.22) 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| 3.208 ( 7.160 33.228 8.558) 35.051 3.352 ( 17.814 29.592 18.810) 39.330 4.347 ( 6.470 -20.968 11.358) 24.709 4.598 ( 7.519 -25.904 4.973) 27.428 4.888 ( -13.968 19.460 -2.652) 24.101 5.515 ( -11.030 8.317 4.659) 14.579 5.651 ( -8.290 -2.717 -5.121) 10.116 5.892 ( -5.911 -2.465 -3.670) 7.382 5.979 ( 1.214 21.537 -0.535) 21.578 6.070 ( 3.987 4.260 -6.572) 8.789 6.111 ( 3.681 10.445 6.064) 12.627 6.260 ( 8.630 7.032 -10.805) 15.514 6.527 ( 6.905 4.127 -13.271) 15.519 6.590 ( -1.083 -7.752 -4.295) 8.928 6.833 ( -3.201 -12.580 -11.191) 17.139 7.018 ( 0.497 -10.218 -19.993) 22.458 7.044 ( 4.590 -9.563 -18.813) 21.598 7.616 ( 3.054 -33.241 4.988) 33.751 8.093 ( -2.573 4.132 -4.685) 6.756 8.193 ( 1.501 -1.310 -13.224) 13.373 8.330 ( -7.540 7.313 10.955) 15.178 8.588 ( -5.574 -4.025 10.767) 12.775 8.677 ( -1.217 4.066 7.345) 8.483 8.816 ( -4.390 -0.910 5.266) 6.916 12.921 ( 3.750 3.211 -2.631) 5.594 13.010 ( 2.641 -0.049 -6.241) 6.777 13.090 ( 4.510 0.053 -5.574) 7.170 13.195 ( 4.903 -3.280 -6.565) 8.826 13.894 ( 7.816 5.318 2.140) 9.693 14.044 ( 6.180 0.930 3.660) 7.242 14.348 ( 2.024 0.948 0.228) 2.246 14.413 ( 2.400 -4.591 -2.160) 5.613 15.075 ( -2.325 -0.427 1.972) 3.078 15.125 ( -0.569 -0.819 3.328) 3.474 15.474 ( -4.528 4.007 -3.099) 6.795 15.555 ( 0.621 4.872 3.182) 5.852 15.636 ( 1.322 -2.133 1.009) 2.705 15.740 ( 0.445 -1.329 0.146) 1.409 16.060 ( 0.377 2.144 8.664) 8.934 16.171 ( -0.265 -3.139 9.252) 9.774 16.223 ( 0.336 0.053 -1.381) 1.423 16.320 ( -0.913 -4.089 -1.067) 4.323 16.664 ( -2.052 0.835 5.397) 5.834 16.711 ( -2.088 1.284 0.238) 2.463 16.755 ( 2.316 0.395 5.057) 5.576 16.843 ( -1.242 -1.621 -0.408) 2.083 16.941 ( -1.223 4.415 1.395) 4.789 17.086 ( -1.094 0.129 4.073) 4.219 17.270 ( -1.108 0.852 2.758) 3.092 17.286 ( -4.027 3.003 1.948) 5.388 17.335 ( 0.899 0.276 4.382) 4.482 17.407 ( -0.768 1.236 -1.345) 1.982 17.542 ( -1.536 -5.159 3.395) 6.364 17.608 ( 0.346 -5.110 1.900) 5.462 17.944 ( -3.052 7.738 -6.514) 10.565 18.181 ( -4.365 -3.595 -6.926) 8.941 19.082 ( 0.508 0.158 3.039) 3.085 19.159 ( -0.273 -3.255 2.367) 4.034 19.425 ( 0.208 1.365 -2.672) 3.008 19.452 ( -0.061 0.099 -3.122) 3.124 ======================= Grid point 184 (67/120) ======================= q-point: ( 0.29 0.40 0.22) 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| 3.414 ( 13.421 31.810 5.756) 35.002 3.793 ( 24.694 24.233 15.728) 38.005 4.490 ( 5.213 -14.758 6.079) 16.791 4.545 ( -16.947 20.640 -1.007) 26.725 4.800 ( 10.769 -21.928 6.435) 25.263 5.237 ( -15.471 8.550 4.573) 18.258 5.483 ( -8.022 -12.743 -5.256) 15.949 5.753 ( -7.626 -4.401 -2.291) 9.098 6.050 ( 4.174 9.908 -4.222) 11.551 6.122 ( 4.343 16.498 6.328) 18.195 6.231 ( 5.768 2.486 -1.140) 6.383 6.358 ( -0.497 -3.744 -7.122) 8.061 6.596 ( 4.200 2.070 -10.030) 11.069 6.675 ( 6.084 2.140 -10.927) 12.688 6.816 ( 1.580 -5.775 -12.464) 13.827 6.998 ( -2.247 -5.034 -22.368) 23.037 7.139 ( 4.836 -6.086 -16.968) 18.664 7.706 ( 5.041 -26.628 4.819) 27.526 7.897 ( -14.734 9.089 5.903) 18.291 8.217 ( 0.435 -2.792 -7.164) 7.701 8.303 ( 4.093 -0.038 -0.668) 4.147 8.438 ( -8.450 -7.198 8.938) 14.251 8.607 ( -5.608 2.038 6.643) 8.929 8.707 ( -6.231 0.566 5.493) 8.326 13.018 ( 5.593 2.610 -2.308) 6.589 13.093 ( 4.627 -0.317 -4.182) 6.245 13.179 ( 4.529 1.382 -4.599) 6.600 13.289 ( 3.632 -2.120 -5.460) 6.892 14.108 ( 12.886 4.170 -0.846) 13.571 14.217 ( 10.580 -0.221 0.324) 10.587 14.412 ( 4.165 2.359 -1.609) 5.050 14.483 ( 4.511 -5.668 -2.250) 7.585 15.009 ( -3.790 1.268 3.448) 5.278 15.098 ( -1.934 0.525 2.662) 3.332 15.340 ( -9.067 3.506 -2.200) 9.966 15.486 ( -7.629 1.197 2.443) 8.100 15.703 ( 4.985 0.183 1.614) 5.243 15.778 ( 2.884 -1.558 0.985) 3.422 16.066 ( 0.532 1.247 9.146) 9.246 16.170 ( 0.274 -4.363 7.520) 8.698 16.236 ( 0.607 1.798 3.606) 4.075 16.298 ( -1.238 -3.694 2.758) 4.773 16.627 ( -1.624 0.767 2.349) 2.957 16.657 ( -3.023 0.658 -0.719) 3.176 16.776 ( -0.322 -0.136 -0.683) 0.767 16.847 ( 2.102 -0.585 3.924) 4.490 16.924 ( -0.164 2.644 0.668) 2.732 17.063 ( -0.958 1.315 4.014) 4.332 17.172 ( -6.208 2.127 1.740) 6.789 17.229 ( -4.207 0.618 3.141) 5.287 17.363 ( 1.627 1.389 3.968) 4.508 17.393 ( 0.283 -1.284 1.774) 2.208 17.522 ( -0.438 -3.382 0.575) 3.459 17.604 ( -0.963 -4.000 0.318) 4.127 17.874 ( -3.308 5.870 -5.749) 8.857 18.065 ( -6.985 -1.928 -6.085) 9.462 19.096 ( 0.916 -0.326 2.827) 2.990 19.150 ( -0.578 -2.669 2.342) 3.597 19.430 ( 0.357 1.157 -2.701) 2.960 19.450 ( -0.169 0.278 -3.012) 3.030 ======================= Grid point 185 (68/120) ======================= q-point: ( 0.43 0.40 0.22) 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| 3.727 ( 17.915 28.866 3.995) 34.207 4.090 ( -14.626 23.881 4.147) 28.309 4.317 ( 16.237 21.722 10.013) 28.909 4.589 ( -3.074 1.380 6.284) 7.131 4.904 ( -0.564 -11.449 1.755) 11.596 4.984 ( -7.652 -10.896 0.068) 13.315 5.428 ( 4.530 -15.324 -0.316) 15.983 5.588 ( -9.112 -10.163 -0.297) 13.653 6.129 ( 4.589 0.288 -4.208) 6.233 6.209 ( -0.420 5.352 2.999) 6.149 6.294 ( 1.588 0.115 -4.657) 4.921 6.323 ( -0.106 3.038 1.453) 3.369 6.700 ( 4.983 4.527 -12.543) 14.236 6.755 ( 0.936 4.763 -10.940) 11.968 6.870 ( 3.140 -2.190 -15.537) 16.002 6.936 ( -3.524 -1.688 -20.878) 21.240 7.265 ( 9.099 2.495 -9.582) 13.447 7.523 ( -16.305 9.825 2.520) 19.202 7.908 ( 10.185 -22.022 3.458) 24.508 8.125 ( -10.251 -14.804 0.874) 18.028 8.368 ( 2.508 -1.042 4.313) 5.096 8.410 ( 4.468 -0.427 2.695) 5.235 8.490 ( -3.998 0.876 3.315) 5.266 8.574 ( -7.031 -0.075 3.655) 7.925 13.116 ( 3.711 1.894 -2.255) 4.738 13.149 ( 0.574 0.587 -2.577) 2.704 13.269 ( 4.175 0.884 -4.206) 5.992 13.320 ( -0.625 -0.790 -4.164) 4.284 14.353 ( 10.378 2.214 -2.744) 10.960 14.412 ( 6.808 -2.988 -4.173) 8.526 14.485 ( 2.471 4.336 -2.456) 5.563 14.538 ( -1.105 -2.702 -3.453) 4.522 14.986 ( 3.106 1.288 3.518) 4.866 15.093 ( 2.089 0.408 2.556) 3.326 15.140 ( -8.333 3.525 0.797) 9.083 15.284 ( -11.744 -0.333 1.941) 11.908 15.791 ( 3.260 0.161 2.925) 4.383 15.820 ( 0.532 -0.835 1.690) 1.958 16.103 ( 3.523 1.596 7.287) 8.250 16.169 ( -1.579 -1.344 4.436) 4.896 16.239 ( 0.483 -1.651 11.063) 11.196 16.268 ( -1.796 -3.799 8.565) 9.540 16.601 ( -0.786 0.528 -1.792) 2.027 16.608 ( -1.587 0.591 -2.787) 3.261 16.794 ( 2.916 -0.856 -1.782) 3.523 16.864 ( -2.327 -0.390 0.972) 2.551 16.955 ( 4.089 2.978 2.816) 5.789 17.051 ( -3.934 -0.154 1.915) 4.378 17.068 ( 0.028 2.853 3.582) 4.579 17.130 ( -4.833 1.708 5.722) 7.682 17.393 ( 1.535 0.594 2.167) 2.721 17.411 ( 0.327 -0.689 3.136) 3.228 17.527 ( 1.154 -3.490 -1.366) 3.921 17.567 ( -2.477 -3.600 -1.590) 4.651 17.848 ( 1.386 3.269 -4.502) 5.734 17.928 ( -6.157 0.591 -4.901) 7.892 19.116 ( 1.052 -1.041 2.579) 2.974 19.136 ( -0.889 -1.872 2.400) 3.171 19.438 ( 0.388 0.861 -2.770) 2.926 19.445 ( -0.303 0.547 -2.881) 2.948 ======================= Grid point 189 (69/120) ======================= q-point: ( 0.00 -0.50 0.22) 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| 3.628 ( 0.000 -9.881 17.266) 19.894 3.628 ( 0.000 9.881 17.266) 19.894 4.002 ( 0.000 -16.270 6.069) 17.365 4.002 ( 0.000 16.270 6.069) 17.365 5.406 ( 0.000 -19.053 -7.741) 20.566 5.406 ( 0.000 19.053 -7.741) 20.566 5.835 ( 0.000 -6.382 0.716) 6.422 5.835 ( 0.000 6.382 0.716) 6.422 6.189 ( 0.000 -7.546 -6.157) 9.740 6.189 ( 0.000 7.546 -6.157) 9.740 6.276 ( 0.000 -5.830 -9.943) 11.527 6.276 ( 0.000 5.830 -9.943) 11.527 6.584 ( 0.000 -12.549 -9.190) 15.554 6.584 ( 0.000 12.549 -9.190) 15.554 6.787 ( 0.000 -22.439 -13.546) 26.210 6.787 ( 0.000 22.439 -13.546) 26.210 6.954 ( 0.000 -18.707 1.918) 18.805 6.954 ( 0.000 18.707 1.918) 18.805 8.145 ( 0.000 -2.024 -11.665) 11.839 8.145 ( 0.000 2.024 -11.665) 11.839 8.573 ( 0.000 -5.102 13.289) 14.234 8.573 ( 0.000 5.102 13.289) 14.234 8.788 ( 0.000 -5.092 6.358) 8.146 8.788 ( 0.000 5.092 6.358) 8.146 12.955 ( 0.000 -3.649 -4.282) 5.626 12.955 ( 0.000 3.649 -4.282) 5.626 13.062 ( 0.000 -3.448 -9.930) 10.511 13.062 ( 0.000 3.448 -9.930) 10.511 13.940 ( 0.000 -5.536 3.395) 6.494 13.940 ( 0.000 5.536 3.395) 6.494 14.336 ( 0.000 -0.134 -0.733) 0.745 14.336 ( 0.000 0.134 -0.733) 0.745 15.103 ( 0.000 -0.583 2.659) 2.723 15.103 ( 0.000 0.583 2.659) 2.723 15.561 ( 0.000 -2.853 2.662) 3.902 15.561 ( 0.000 2.853 2.662) 3.902 15.679 ( 0.000 -6.132 -4.850) 7.818 15.679 ( 0.000 6.132 -4.850) 7.818 16.118 ( 0.000 -2.771 9.498) 9.894 16.118 ( 0.000 2.771 9.498) 9.894 16.250 ( 0.000 -3.258 -0.759) 3.345 16.250 ( 0.000 3.258 -0.759) 3.345 16.703 ( 0.000 -0.080 5.273) 5.274 16.703 ( 0.000 0.080 5.273) 5.274 16.802 ( 0.000 -3.899 2.232) 4.493 16.802 ( 0.000 3.899 2.232) 4.493 17.050 ( 0.000 -3.899 2.940) 4.883 17.050 ( 0.000 3.899 2.940) 4.883 17.296 ( 0.000 -2.037 3.490) 4.041 17.296 ( 0.000 2.037 3.490) 4.041 17.449 ( 0.000 -6.052 5.376) 8.095 17.449 ( 0.000 6.052 5.376) 8.095 17.488 ( 0.000 -4.853 -1.187) 4.996 17.488 ( 0.000 4.853 -1.187) 4.996 18.122 ( 0.000 -6.500 -7.061) 9.597 18.122 ( 0.000 6.500 -7.061) 9.597 19.103 ( 0.000 -2.331 3.440) 4.155 19.103 ( 0.000 2.331 3.440) 4.155 19.445 ( 0.000 -0.803 -2.901) 3.011 19.445 ( 0.000 0.803 -2.901) 3.011 ======================= Grid point 191 (70/120) ======================= q-point: ( 0.14 -0.50 0.22) 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| 3.666 ( 7.586 -0.000 12.402) 14.539 3.842 ( 16.006 -0.000 16.822) 23.220 4.019 ( 4.596 0.000 5.263) 6.987 4.132 ( 10.307 0.000 8.159) 13.146 5.277 ( -12.385 -0.000 -7.454) 14.455 5.290 ( -10.526 0.000 -5.720) 11.979 5.745 ( -8.440 0.000 1.271) 8.535 5.762 ( -6.873 -0.000 1.424) 7.019 6.172 ( 0.094 0.000 -6.515) 6.516 6.217 ( 0.795 -0.000 -10.814) 10.843 6.272 ( 0.366 0.000 -1.907) 1.942 6.301 ( 0.823 0.000 -10.337) 10.370 6.617 ( 4.296 -0.000 -11.807) 12.564 6.635 ( 3.630 0.000 -8.249) 9.012 6.810 ( 2.835 0.000 -13.167) 13.468 6.850 ( 4.354 -0.000 -21.134) 21.578 7.004 ( 4.752 -0.000 -0.613) 4.792 7.008 ( 6.202 0.000 7.271) 9.557 8.147 ( 0.176 -0.000 -10.353) 10.355 8.167 ( 1.728 0.000 -10.082) 10.229 8.476 ( -9.859 0.000 12.008) 15.537 8.480 ( -7.865 -0.000 12.796) 15.020 8.726 ( -3.787 0.000 6.833) 7.812 8.797 ( -1.939 -0.000 6.798) 7.069 12.970 ( 2.569 0.000 -3.989) 4.745 12.997 ( 3.687 -0.000 -4.979) 6.196 13.093 ( 4.191 0.000 -8.908) 9.844 13.152 ( 6.115 0.000 -8.623) 10.571 14.006 ( 6.887 0.000 3.386) 7.674 14.007 ( 6.591 -0.000 1.087) 6.680 14.321 ( 0.694 -0.000 -1.637) 1.778 14.392 ( 3.497 0.000 -1.017) 3.642 15.071 ( -1.978 0.000 2.227) 2.978 15.117 ( -0.103 0.000 3.729) 3.730 15.536 ( -3.073 0.000 0.604) 3.132 15.569 ( -1.477 0.000 1.254) 1.937 15.677 ( 0.813 -0.000 -2.757) 2.875 15.679 ( 1.249 0.000 -2.674) 2.952 16.088 ( -1.249 0.000 10.809) 10.881 16.138 ( 0.257 0.000 8.495) 8.499 16.249 ( 0.486 0.000 0.156) 0.510 16.251 ( -0.206 -0.000 0.265) 0.335 16.668 ( -1.757 0.000 4.437) 4.772 16.731 ( -1.118 0.000 2.463) 2.705 16.778 ( 0.972 0.000 5.948) 6.027 16.799 ( -1.282 -0.000 0.037) 1.283 16.999 ( -2.804 -0.000 2.141) 3.528 17.071 ( 0.227 0.000 3.719) 3.726 17.280 ( -0.613 -0.000 3.220) 3.277 17.309 ( -1.160 0.000 3.611) 3.793 17.384 ( -3.900 -0.000 3.990) 5.580 17.404 ( -2.689 0.000 4.900) 5.590 17.487 ( 0.585 -0.000 -0.899) 1.072 17.541 ( 1.808 0.000 0.313) 1.835 18.058 ( -4.871 0.000 -7.133) 8.637 18.108 ( -2.602 -0.000 -6.624) 7.117 19.101 ( 0.016 -0.000 3.449) 3.449 19.108 ( 0.263 0.000 3.337) 3.347 19.445 ( 0.041 -0.000 -2.888) 2.889 19.446 ( 0.091 0.000 -2.879) 2.880 ======================= Grid point 193 (71/120) ======================= q-point: ( 0.29 -0.50 0.22) 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| 3.887 ( 13.840 0.000 6.024) 15.095 4.112 ( 9.831 -0.000 3.906) 10.579 4.273 ( 20.758 -0.000 14.290) 25.202 4.390 ( 14.407 0.000 8.468) 16.712 4.964 ( -18.072 -0.000 -6.154) 19.091 5.042 ( -13.138 0.000 -2.186) 13.319 5.532 ( -12.352 0.000 2.287) 12.562 5.584 ( -10.688 -0.000 3.060) 11.118 6.180 ( 0.373 0.000 -5.980) 5.992 6.218 ( -0.658 -0.000 -8.491) 8.516 6.283 ( 0.913 -0.000 -2.450) 2.615 6.312 ( 0.478 0.000 -8.372) 8.386 6.712 ( 4.150 0.000 -9.657) 10.511 6.731 ( 6.359 -0.000 -12.905) 14.386 6.869 ( 2.232 0.000 -19.666) 19.792 6.911 ( 1.488 -0.000 -22.662) 22.710 7.144 ( 9.707 -0.000 2.770) 10.095 7.210 ( 13.489 0.000 4.907) 14.354 8.102 ( -7.420 -0.000 -3.953) 8.407 8.115 ( -12.659 0.000 2.951) 12.999 8.317 ( 0.368 0.000 1.244) 1.297 8.334 ( -3.609 -0.000 8.850) 9.557 8.628 ( -6.122 0.000 6.945) 9.258 8.713 ( -6.145 0.000 6.088) 8.650 13.052 ( 5.046 0.000 -4.000) 6.440 13.087 ( 4.701 0.000 -4.792) 6.713 13.193 ( 5.172 -0.000 -6.655) 8.428 13.262 ( 4.274 0.000 -6.297) 7.611 14.188 ( 10.990 0.000 -2.401) 11.250 14.199 ( 11.465 -0.000 0.155) 11.466 14.371 ( 4.691 -0.000 -2.928) 5.529 14.469 ( 4.106 0.000 -2.218) 4.667 15.023 ( -2.716 0.000 2.377) 3.609 15.099 ( -1.406 0.000 4.583) 4.794 15.399 ( -10.321 0.000 -0.991) 10.369 15.471 ( -8.108 -0.000 -0.708) 8.139 15.736 ( 4.414 -0.000 -0.205) 4.419 15.738 ( 3.874 0.000 1.345) 4.100 16.084 ( 1.141 0.000 11.337) 11.394 16.132 ( -0.379 0.000 7.821) 7.830 16.242 ( -0.712 -0.000 3.101) 3.181 16.263 ( 0.189 0.000 4.316) 4.321 16.632 ( -1.705 0.000 2.933) 3.393 16.669 ( -3.570 0.000 -0.089) 3.571 16.768 ( -1.175 0.000 -1.893) 2.228 16.837 ( 3.434 0.000 5.550) 6.526 16.959 ( -0.777 -0.000 2.185) 2.319 17.066 ( -0.662 0.000 3.255) 3.321 17.203 ( -7.136 -0.000 4.104) 8.231 17.243 ( -3.727 0.000 4.566) 5.894 17.374 ( 1.233 0.000 3.058) 3.297 17.376 ( 0.475 -0.000 5.123) 5.145 17.491 ( -0.132 -0.000 -1.468) 1.474 17.556 ( -0.333 0.000 -1.023) 1.076 17.949 ( -5.338 0.000 -6.554) 8.452 18.029 ( -5.034 -0.000 -5.829) 7.702 19.104 ( 0.243 -0.000 3.346) 3.355 19.113 ( 0.149 0.000 3.219) 3.223 19.446 ( 0.094 -0.000 -2.848) 2.850 19.448 ( 0.071 0.000 -2.838) 2.839 ======================= Grid point 195 (72/120) ======================= q-point: ( 0.43 -0.50 0.22) 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| 4.189 ( 16.058 0.000 2.887) 16.316 4.313 ( 9.171 -0.000 3.832) 9.939 4.557 ( -2.517 0.000 -0.565) 2.580 4.583 ( -11.056 -0.000 -3.066) 11.473 4.695 ( 12.114 -0.000 8.667) 14.895 4.865 ( -2.769 0.000 7.509) 8.003 5.306 ( -7.593 0.000 3.576) 8.393 5.362 ( -10.496 0.000 4.279) 11.335 6.186 ( 0.416 0.000 -4.984) 5.001 6.200 ( -0.948 -0.000 -5.129) 5.216 6.305 ( 1.067 -0.000 -5.422) 5.526 6.317 ( -0.094 0.000 -6.689) 6.689 6.796 ( 4.074 0.000 -13.494) 14.095 6.834 ( 2.662 0.000 -13.033) 13.302 6.881 ( -0.038 0.000 -23.627) 23.627 6.913 ( -1.253 -0.000 -21.770) 21.806 7.392 ( 14.870 -0.000 7.082) 16.471 7.494 ( 13.085 0.000 5.004) 14.009 7.788 ( -15.859 0.000 4.953) 16.614 7.858 ( -14.633 -0.000 1.204) 14.682 8.361 ( 4.476 -0.000 5.444) 7.047 8.404 ( 5.142 0.000 2.150) 5.573 8.502 ( -5.275 0.000 4.575) 6.982 8.572 ( -7.564 0.000 3.540) 8.351 13.139 ( 3.034 -0.000 -4.351) 5.304 13.154 ( 1.557 0.000 -4.621) 4.877 13.279 ( 3.165 -0.000 -4.614) 5.595 13.308 ( 0.364 0.000 -4.386) 4.401 14.380 ( 6.096 0.000 -5.703) 8.348 14.380 ( 5.361 -0.000 -4.779) 7.182 14.501 ( 6.503 -0.000 -3.392) 7.335 14.540 ( 2.234 0.000 -3.213) 3.914 14.999 ( 2.086 0.000 2.466) 3.230 15.089 ( -0.082 -0.000 4.429) 4.430 15.180 ( -8.197 0.000 0.397) 8.206 15.273 ( -10.590 -0.000 1.584) 10.707 15.804 ( 2.244 -0.000 1.934) 2.962 15.809 ( 2.019 0.000 0.825) 2.181 16.129 ( 2.720 -0.000 8.663) 9.080 16.139 ( 1.127 0.000 6.887) 6.978 16.219 ( -1.319 -0.000 9.309) 9.402 16.236 ( -2.517 0.000 10.808) 11.097 16.606 ( -0.696 0.000 -1.281) 1.458 16.615 ( -1.669 0.000 -3.046) 3.473 16.784 ( 3.132 -0.000 -1.066) 3.309 16.859 ( -2.505 0.000 1.126) 2.747 16.989 ( 3.641 0.000 4.034) 5.434 17.045 ( -1.589 0.000 2.269) 2.770 17.101 ( -1.628 0.000 5.352) 5.595 17.149 ( -4.997 0.000 7.030) 8.625 17.402 ( 1.269 -0.000 4.237) 4.424 17.403 ( 1.227 0.000 3.418) 3.631 17.490 ( 0.529 -0.000 -3.028) 3.074 17.525 ( -2.499 0.000 -3.322) 4.157 17.885 ( -0.421 0.000 -5.125) 5.142 17.930 ( -4.332 -0.000 -4.938) 6.568 19.110 ( 0.271 0.000 3.218) 3.229 19.113 ( -0.083 0.000 3.166) 3.167 19.448 ( 0.073 0.000 -2.812) 2.813 19.449 ( 0.000 -0.000 -2.808) 2.808 ======================= Grid point 231 (73/120) ======================= q-point: ( 0.00 0.00 0.33) 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| 2.181 ( 0.000 0.000 35.564) 35.564 2.670 ( 0.000 0.000 39.328) 39.328 4.135 ( 0.000 0.000 44.476) 44.476 4.335 ( 0.000 0.000 -28.652) 28.652 4.898 ( 0.000 0.000 -5.738) 5.738 5.107 ( 0.000 0.000 24.046) 24.046 5.334 ( 0.000 0.000 15.460) 15.460 5.518 ( 0.000 0.000 3.015) 3.015 5.566 ( 0.000 0.000 -7.792) 7.792 5.901 ( 0.000 0.000 3.929) 3.929 6.446 ( 0.000 0.000 -14.704) 14.704 6.516 ( 0.000 0.000 -3.315) 3.315 6.846 ( 0.000 0.000 14.066) 14.066 6.952 ( 0.000 0.000 -12.867) 12.867 7.155 ( 0.000 0.000 -12.034) 12.034 7.219 ( 0.000 0.000 -15.925) 15.925 7.374 ( 0.000 0.000 -23.464) 23.464 7.773 ( 0.000 0.000 4.529) 4.529 8.028 ( 0.000 0.000 -9.597) 9.597 8.288 ( 0.000 0.000 -6.866) 6.866 8.450 ( 0.000 0.000 7.221) 7.221 8.528 ( 0.000 0.000 3.790) 3.790 8.753 ( 0.000 0.000 0.131) 0.131 9.021 ( 0.000 0.000 -9.434) 9.434 12.868 ( 0.000 0.000 0.995) 0.995 12.965 ( 0.000 0.000 3.569) 3.569 13.342 ( 0.000 0.000 9.822) 9.822 13.407 ( 0.000 0.000 14.192) 14.192 13.968 ( 0.000 0.000 5.037) 5.037 14.069 ( 0.000 0.000 10.129) 10.129 14.151 ( 0.000 0.000 5.752) 5.752 14.594 ( 0.000 0.000 -3.372) 3.372 15.010 ( 0.000 0.000 14.343) 14.343 15.499 ( 0.000 0.000 -4.896) 4.896 15.504 ( 0.000 0.000 0.884) 0.884 15.511 ( 0.000 0.000 6.989) 6.989 15.541 ( 0.000 0.000 13.935) 13.935 16.021 ( 0.000 0.000 -11.339) 11.339 16.060 ( 0.000 0.000 5.952) 5.952 16.114 ( 0.000 0.000 -5.561) 5.561 16.322 ( 0.000 0.000 -3.297) 3.297 16.414 ( 0.000 0.000 -2.891) 2.891 16.497 ( 0.000 0.000 -12.733) 12.733 16.650 ( 0.000 0.000 -5.469) 5.469 16.676 ( 0.000 0.000 1.541) 1.541 16.734 ( 0.000 0.000 0.533) 0.533 16.804 ( 0.000 0.000 -0.663) 0.663 16.821 ( 0.000 0.000 1.009) 1.009 16.965 ( 0.000 0.000 -0.799) 0.799 17.013 ( 0.000 0.000 3.228) 3.228 17.324 ( 0.000 0.000 -6.516) 6.516 17.515 ( 0.000 0.000 9.628) 9.628 17.669 ( 0.000 0.000 -8.255) 8.255 17.935 ( 0.000 0.000 0.518) 0.518 17.992 ( 0.000 0.000 2.440) 2.440 18.075 ( 0.000 0.000 -3.270) 3.270 19.156 ( 0.000 0.000 -1.951) 1.951 19.254 ( 0.000 0.000 -2.059) 2.059 19.287 ( 0.000 0.000 -5.524) 5.524 19.302 ( 0.000 0.000 -4.219) 4.219 ======================= Grid point 232 (74/120) ======================= q-point: ( 0.14 0.00 0.33) 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| 2.448 ( 24.241 0.000 31.273) 39.568 2.753 ( 8.288 0.000 38.080) 38.972 4.245 ( 11.073 0.000 40.739) 42.217 4.418 ( 6.675 0.000 -22.612) 23.577 4.838 ( -10.901 0.000 16.460) 19.742 5.024 ( -0.486 0.000 -0.100) 0.496 5.110 ( -18.418 0.000 13.105) 22.605 5.490 ( -2.815 0.000 0.100) 2.817 5.670 ( 7.412 0.000 -3.857) 8.356 5.905 ( 1.092 0.000 1.732) 2.047 6.287 ( -14.246 0.000 -15.606) 21.131 6.543 ( 1.141 0.000 -6.432) 6.533 6.910 ( 1.134 0.000 -4.471) 4.613 7.006 ( -8.956 0.000 -16.200) 18.511 7.087 ( 17.191 0.000 11.242) 20.540 7.314 ( 1.112 0.000 -4.158) 4.304 7.410 ( 3.169 0.000 -21.505) 21.737 7.749 ( -0.407 0.000 1.912) 1.955 8.138 ( 10.230 0.000 -12.017) 15.781 8.233 ( -5.061 0.000 -7.163) 8.770 8.421 ( -3.038 0.000 6.901) 7.540 8.502 ( -2.741 0.000 3.163) 4.185 8.685 ( -6.643 0.000 -0.754) 6.686 8.996 ( -2.579 0.000 -9.454) 9.799 12.914 ( 4.778 0.000 2.157) 5.242 13.012 ( 4.494 0.000 4.144) 6.113 13.382 ( 3.039 0.000 8.777) 9.288 13.412 ( 0.372 0.000 13.495) 13.500 14.060 ( 9.075 0.000 3.871) 9.867 14.114 ( 3.468 0.000 7.921) 8.647 14.205 ( 6.877 0.000 8.158) 10.670 14.637 ( 4.325 0.000 -1.750) 4.666 14.952 ( -5.798 0.000 13.730) 14.905 15.451 ( -4.536 0.000 -3.363) 5.647 15.466 ( -2.760 0.000 8.323) 8.769 15.476 ( -3.980 0.000 5.498) 6.788 15.605 ( 5.103 0.000 6.119) 7.968 15.998 ( -1.868 0.000 -1.025) 2.131 16.096 ( -1.963 0.000 -5.478) 5.819 16.102 ( 3.582 0.000 -5.752) 6.776 16.323 ( 0.306 0.000 -3.094) 3.109 16.389 ( -2.229 0.000 -2.663) 3.473 16.503 ( 0.552 0.000 -11.395) 11.409 16.655 ( 0.461 0.000 -6.119) 6.136 16.678 ( 0.230 0.000 0.859) 0.889 16.728 ( -0.558 0.000 0.637) 0.847 16.799 ( -2.141 0.000 1.378) 2.546 16.812 ( 0.440 0.000 -1.870) 1.921 16.966 ( 0.699 0.000 0.080) 0.704 17.039 ( 2.479 0.000 2.304) 3.385 17.302 ( -2.267 0.000 -5.819) 6.245 17.492 ( -1.843 0.000 9.645) 9.820 17.675 ( 0.507 0.000 -8.896) 8.910 17.887 ( -4.703 0.000 0.772) 4.766 17.949 ( -4.338 0.000 2.721) 5.121 18.050 ( -2.421 0.000 -2.697) 3.624 19.164 ( 0.837 0.000 -2.118) 2.277 19.253 ( -0.144 0.000 -2.201) 2.205 19.283 ( -0.425 0.000 -5.270) 5.287 19.296 ( -0.604 0.000 -4.087) 4.131 ======================= Grid point 233 (75/120) ======================= q-point: ( 0.29 0.00 0.33) 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| 2.995 ( 16.093 0.000 35.001) 38.524 3.006 ( 29.510 0.000 26.652) 39.764 4.361 ( -18.863 0.000 15.101) 24.163 4.445 ( -11.480 0.000 23.046) 25.747 4.633 ( 12.931 0.000 31.932) 34.451 4.913 ( 5.575 0.000 -17.077) 17.963 5.117 ( 7.917 0.000 -7.463) 10.881 5.428 ( -3.652 0.000 -7.331) 8.190 5.777 ( 2.080 0.000 0.661) 2.182 5.941 ( 3.037 0.000 -0.572) 3.091 5.956 ( -17.763 0.000 -16.134) 23.996 6.487 ( -7.425 0.000 -12.913) 14.896 6.849 ( -6.306 0.000 -15.518) 16.751 7.013 ( 9.914 0.000 4.594) 10.926 7.157 ( -14.616 0.000 7.957) 16.641 7.447 ( 9.099 0.000 -4.672) 10.228 7.493 ( 12.251 0.000 3.004) 12.614 7.853 ( 9.741 0.000 -6.819) 11.891 8.122 ( -4.903 0.000 -9.417) 10.617 8.324 ( -6.825 0.000 6.884) 9.694 8.372 ( 12.271 0.000 -11.575) 16.869 8.415 ( -6.026 0.000 1.369) 6.180 8.504 ( -11.111 0.000 -3.965) 11.797 8.918 ( -5.318 0.000 -9.574) 10.952 13.053 ( 8.877 0.000 3.996) 9.735 13.129 ( 6.880 0.000 5.552) 8.841 13.410 ( -0.941 0.000 11.582) 11.620 13.420 ( 0.092 0.000 7.478) 7.478 14.190 ( 4.824 0.000 7.082) 8.569 14.311 ( 15.746 0.000 1.286) 15.798 14.438 ( 15.149 0.000 9.508) 17.885 14.764 ( 8.338 0.000 2.222) 8.629 14.794 ( -9.218 0.000 12.188) 15.282 15.296 ( -11.310 0.000 -4.418) 12.142 15.365 ( -7.343 0.000 7.235) 10.309 15.379 ( -6.856 0.000 10.299) 12.372 15.727 ( 6.734 0.000 2.518) 7.189 15.973 ( 0.078 0.000 0.163) 0.181 16.032 ( -4.309 0.000 -4.670) 6.354 16.155 ( 0.153 0.000 -9.135) 9.137 16.345 ( 2.268 0.000 -2.638) 3.479 16.358 ( 0.353 0.000 -3.074) 3.094 16.509 ( -0.285 0.000 -8.719) 8.724 16.653 ( -1.688 0.000 -5.833) 6.072 16.688 ( 0.795 0.000 -0.693) 1.055 16.716 ( -0.346 0.000 0.189) 0.394 16.752 ( -1.852 0.000 0.578) 1.940 16.798 ( -2.082 0.000 -3.786) 4.321 17.032 ( 6.622 0.000 0.602) 6.650 17.098 ( 2.952 0.000 0.914) 3.090 17.238 ( -3.763 0.000 -2.808) 4.695 17.471 ( 0.455 0.000 8.277) 8.289 17.654 ( -5.142 0.000 -10.215) 11.436 17.791 ( -2.248 0.000 2.165) 3.121 17.829 ( -7.433 0.000 3.419) 8.181 17.984 ( -4.057 0.000 -2.039) 4.540 19.187 ( 1.456 0.000 -2.522) 2.912 19.250 ( -0.034 0.000 -2.595) 2.595 19.272 ( -0.609 0.000 -4.632) 4.671 19.279 ( -1.135 0.000 -3.788) 3.954 ======================= Grid point 234 (76/120) ======================= q-point: ( 0.43 0.00 0.33) 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| 3.381 ( 22.596 0.000 31.209) 38.531 3.558 ( 26.036 0.000 26.346) 37.040 3.871 ( -26.389 0.000 27.009) 37.760 4.042 ( -23.090 0.000 26.135) 34.874 5.066 ( 22.002 0.000 5.224) 22.613 5.130 ( 11.861 0.000 -19.619) 22.926 5.283 ( 4.814 0.000 -6.132) 7.796 5.323 ( -7.420 0.000 -14.265) 16.080 5.645 ( -9.829 0.000 -3.927) 10.584 5.714 ( -8.532 0.000 9.133) 12.498 6.059 ( 9.242 0.000 -4.762) 10.396 6.282 ( -12.086 0.000 -10.822) 16.223 6.778 ( -0.208 0.000 -10.391) 10.393 6.877 ( -10.776 0.000 1.239) 10.847 7.246 ( 11.917 0.000 5.163) 12.988 7.431 ( -5.797 0.000 -2.583) 6.346 7.830 ( 15.914 0.000 11.157) 19.436 8.066 ( 10.882 0.000 -5.229) 12.073 8.068 ( -4.147 0.000 -1.579) 4.437 8.174 ( -4.100 0.000 -2.336) 4.719 8.265 ( -9.001 0.000 -1.720) 9.164 8.282 ( -10.237 0.000 -9.703) 14.105 8.601 ( 10.547 0.000 -10.446) 14.844 8.785 ( -8.051 0.000 -9.868) 12.735 13.236 ( 8.761 0.000 5.367) 10.274 13.264 ( 6.324 0.000 7.298) 9.657 13.365 ( -3.725 0.000 9.296) 10.015 13.374 ( -4.784 0.000 6.452) 8.032 14.323 ( 8.796 0.000 8.755) 12.410 14.522 ( -9.857 0.000 10.605) 14.478 14.655 ( 18.353 0.000 -1.130) 18.388 14.844 ( 16.947 0.000 8.999) 19.188 14.946 ( 5.828 0.000 6.324) 8.600 15.027 ( -11.528 0.000 -3.860) 12.158 15.171 ( -14.260 0.000 9.577) 17.177 15.184 ( -10.602 0.000 7.166) 12.796 15.850 ( 5.367 0.000 0.049) 5.368 15.943 ( -4.424 0.000 -2.415) 5.040 16.012 ( 3.658 0.000 -2.250) 4.295 16.099 ( -4.536 0.000 -5.454) 7.094 16.410 ( 3.862 0.000 -6.231) 7.330 16.426 ( 6.011 0.000 -2.461) 6.495 16.480 ( -2.747 0.000 -7.112) 7.624 16.562 ( -6.745 0.000 -2.961) 7.366 16.710 ( 1.460 0.000 -2.138) 2.589 16.723 ( 0.642 0.000 -1.877) 1.983 16.733 ( -0.452 0.000 -0.924) 1.029 16.748 ( -2.435 0.000 -3.331) 4.126 17.142 ( 1.536 0.000 0.425) 1.593 17.175 ( -2.288 0.000 -0.102) 2.291 17.220 ( 11.701 0.000 -1.878) 11.851 17.463 ( -12.114 0.000 -5.100) 13.144 17.529 ( 5.480 0.000 6.059) 8.169 17.670 ( -8.156 0.000 4.446) 9.289 17.818 ( 3.383 0.000 -1.394) 3.659 17.898 ( -4.440 0.000 -1.913) 4.835 19.219 ( 1.700 0.000 -2.993) 3.442 19.252 ( -1.548 0.000 -3.423) 3.756 19.253 ( 0.258 0.000 -3.170) 3.180 19.260 ( -0.522 0.000 -3.870) 3.905 ======================= Grid point 238 (77/120) ======================= q-point: ( 0.00 0.10 0.33) 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| 2.307 ( 0.000 12.583 34.304) 36.539 2.620 ( 0.000 -2.727 41.885) 41.974 4.345 ( 0.000 18.987 32.104) 37.298 4.408 ( 0.000 7.347 -27.670) 28.629 4.966 ( 0.000 7.235 -0.610) 7.261 4.999 ( 0.000 -7.097 20.615) 21.802 5.446 ( 0.000 -5.062 3.384) 6.089 5.469 ( 0.000 9.781 14.716) 17.670 5.624 ( 0.000 3.624 -6.893) 7.788 5.853 ( 0.000 -4.646 4.335) 6.355 6.397 ( 0.000 -4.743 -12.696) 13.553 6.457 ( 0.000 -5.966 -3.365) 6.850 6.702 ( 0.000 -12.125 11.848) 16.952 6.933 ( 0.000 -1.984 -13.829) 13.971 7.136 ( 0.000 -3.420 -12.679) 13.132 7.225 ( 0.000 -0.055 -16.906) 16.906 7.295 ( 0.000 -7.927 -17.810) 19.494 7.791 ( 0.000 -4.189 -17.235) 17.736 8.001 ( 0.000 8.296 7.975) 11.508 8.360 ( 0.000 -8.181 7.344) 10.994 8.482 ( 0.000 13.515 -5.315) 14.523 8.551 ( 0.000 1.766 4.166) 4.525 8.762 ( 0.000 0.974 0.783) 1.249 8.923 ( 0.000 -9.824 -8.798) 13.188 12.848 ( 0.000 -1.855 0.326) 1.883 12.943 ( 0.000 -2.266 2.044) 3.052 13.321 ( 0.000 -2.256 8.050) 8.360 13.372 ( 0.000 -3.539 12.082) 12.590 13.936 ( 0.000 -2.949 5.951) 6.642 14.059 ( 0.000 -0.721 9.965) 9.991 14.174 ( 0.000 2.328 4.605) 5.160 14.580 ( 0.000 -1.581 -3.394) 3.745 15.029 ( 0.000 1.845 10.531) 10.692 15.461 ( 0.000 -3.868 -0.513) 3.901 15.477 ( 0.000 -2.101 9.770) 9.993 15.519 ( 0.000 1.916 -0.569) 1.998 15.608 ( 0.000 4.878 10.318) 11.413 16.011 ( 0.000 -4.900 3.258) 5.885 16.041 ( 0.000 1.345 -8.823) 8.925 16.111 ( 0.000 0.207 -2.334) 2.343 16.317 ( 0.000 0.041 -3.428) 3.428 16.435 ( 0.000 2.184 -3.298) 3.956 16.471 ( 0.000 -2.152 -9.648) 9.885 16.657 ( 0.000 1.165 -4.619) 4.763 16.702 ( 0.000 2.444 1.803) 3.037 16.764 ( 0.000 2.851 1.173) 3.083 16.788 ( 0.000 -0.844 0.068) 0.847 16.883 ( 0.000 4.793 -3.090) 5.703 17.001 ( 0.000 3.687 -0.252) 3.696 17.066 ( 0.000 4.924 3.682) 6.148 17.372 ( 0.000 4.702 -6.451) 7.983 17.511 ( 0.000 -0.356 9.115) 9.122 17.622 ( 0.000 -4.480 -7.022) 8.330 17.916 ( 0.000 -1.995 0.481) 2.053 17.944 ( 0.000 -3.572 3.675) 5.125 18.113 ( 0.000 2.350 -4.645) 5.205 19.147 ( 0.000 -0.789 -1.266) 1.491 19.254 ( 0.000 -0.076 -2.096) 2.097 19.301 ( 0.000 1.297 -5.365) 5.520 19.306 ( 0.000 0.396 -3.649) 3.671 ======================= Grid point 239 (78/120) ======================= q-point: ( 0.14 0.10 0.33) 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| 2.547 ( 20.996 9.446 31.669) 39.154 2.720 ( 10.921 -0.680 38.885) 40.395 4.432 ( 7.860 15.298 21.963) 27.895 4.485 ( 6.236 8.113 -13.481) 16.924 4.801 ( -13.215 -2.993 19.109) 23.425 5.044 ( 4.450 5.065 -1.203) 6.849 5.191 ( -18.266 4.993 10.936) 21.867 5.476 ( -2.917 -0.791 1.821) 3.528 5.720 ( 7.349 4.266 -3.600) 9.229 5.861 ( 1.554 -4.065 1.344) 4.555 6.248 ( -13.222 -3.756 -13.616) 19.347 6.491 ( 2.117 -5.394 -5.885) 8.258 6.830 ( 5.103 -9.269 2.067) 10.781 6.933 ( 2.152 -6.235 -5.273) 8.445 7.040 ( -2.118 -1.527 -10.044) 10.378 7.320 ( 5.696 -6.012 -11.728) 14.357 7.342 ( 2.831 -3.234 -12.696) 13.404 7.822 ( 0.291 2.503 -7.004) 7.443 7.976 ( 0.428 -2.636 -4.036) 4.840 8.328 ( -2.937 -5.210 6.474) 8.814 8.474 ( -0.563 11.545 -5.499) 12.800 8.534 ( -1.946 2.609 3.726) 4.947 8.703 ( -5.734 1.709 0.091) 5.984 8.904 ( -2.007 -9.250 -8.751) 12.891 12.897 ( 5.022 -1.594 1.344) 5.438 12.989 ( 4.484 -2.246 2.695) 5.693 13.362 ( 3.194 -2.159 7.235) 8.198 13.378 ( 0.428 -3.421 11.528) 12.032 14.022 ( 8.489 -3.388 4.711) 10.283 14.124 ( 5.549 0.512 8.355) 10.043 14.206 ( 4.482 0.659 6.290) 7.752 14.624 ( 4.431 -1.509 -1.898) 5.051 14.976 ( -5.304 2.276 10.246) 11.760 15.422 ( -4.161 -2.998 4.971) 7.143 15.447 ( -4.486 -0.945 -0.378) 4.600 15.503 ( -1.244 0.996 5.441) 5.669 15.631 ( 3.284 3.316 8.490) 9.688 15.996 ( -1.368 -2.666 3.272) 4.437 16.060 ( 0.331 0.693 -6.329) 6.376 16.130 ( 2.953 0.558 -6.401) 7.071 16.305 ( -1.153 -0.778 -3.253) 3.538 16.408 ( -2.004 1.433 -3.205) 4.042 16.490 ( 1.455 -1.020 -8.798) 8.976 16.663 ( 0.382 1.142 -5.049) 5.190 16.703 ( 0.159 2.244 1.204) 2.551 16.729 ( -1.961 0.479 1.887) 2.763 16.803 ( 0.042 1.576 -0.143) 1.583 16.867 ( -1.652 3.766 -3.118) 5.161 17.011 ( 1.229 4.432 0.578) 4.635 17.080 ( 1.525 3.874 2.425) 4.818 17.347 ( -2.743 4.325 -5.996) 7.886 17.487 ( -1.713 -0.540 8.991) 9.168 17.630 ( 0.520 -4.132 -7.070) 8.205 17.865 ( -4.464 -2.087 1.686) 5.209 17.924 ( -2.568 -2.246 2.584) 4.280 18.073 ( -3.809 1.628 -4.105) 5.832 19.154 ( 0.741 -0.856 -1.402) 1.802 19.250 ( -0.344 -0.231 -2.214) 2.253 19.296 ( -0.395 1.166 -4.679) 4.838 19.304 ( -0.230 0.861 -4.017) 4.114 ======================= Grid point 240 (79/120) ======================= q-point: ( 0.29 0.10 0.33) 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| 2.921 ( 17.491 -2.075 36.302) 40.349 3.140 ( 28.096 9.590 25.224) 38.957 4.286 ( -21.993 -3.598 21.593) 31.031 4.586 ( -12.117 9.900 12.798) 20.214 4.764 ( 16.329 12.379 20.136) 28.729 4.937 ( 1.909 2.196 -14.815) 15.098 5.174 ( 8.475 6.236 -0.343) 10.528 5.416 ( -3.231 -1.110 -7.529) 8.268 5.831 ( 2.470 4.698 -1.410) 5.492 5.903 ( 0.163 -2.599 -4.873) 5.525 5.952 ( -12.185 -0.941 -9.461) 15.456 6.464 ( -6.177 -2.376 -13.109) 14.685 6.828 ( -3.704 -2.956 -12.169) 13.059 6.952 ( 6.785 -5.716 1.592) 9.013 7.106 ( -4.749 -5.300 7.025) 9.999 7.381 ( 1.934 -7.520 -7.984) 11.137 7.435 ( 9.000 -4.997 4.653) 11.297 7.825 ( 1.973 -2.708 -3.302) 4.704 8.029 ( 2.999 -7.615 -14.743) 16.862 8.266 ( -2.668 -0.750 5.217) 5.908 8.445 ( -4.781 2.808 -5.631) 7.903 8.479 ( -3.211 5.868 0.343) 6.697 8.577 ( -3.683 5.930 -2.483) 7.409 8.843 ( -4.136 -7.541 -8.690) 12.226 13.041 ( 8.991 -1.273 3.121) 9.602 13.106 ( 6.899 -2.148 4.114) 8.315 13.376 ( -0.880 -3.308 10.156) 10.717 13.406 ( 0.475 -1.532 5.955) 6.167 14.200 ( 5.520 0.479 5.844) 8.054 14.273 ( 13.762 -2.814 2.729) 14.310 14.411 ( 14.595 -2.440 8.558) 17.094 14.737 ( 4.046 -1.980 3.176) 5.512 14.852 ( -3.444 4.393 7.644) 9.465 15.267 ( -11.510 -2.978 -2.579) 12.165 15.319 ( -8.380 -1.922 7.325) 11.295 15.437 ( -6.052 3.175 8.071) 10.576 15.744 ( 7.284 1.868 4.515) 8.772 15.974 ( -0.173 -1.008 1.612) 1.909 16.028 ( -3.132 0.643 -4.107) 5.205 16.192 ( -0.172 3.602 -9.171) 9.855 16.291 ( 2.133 -3.092 -2.578) 4.556 16.389 ( 0.763 0.976 -2.918) 3.170 16.515 ( 0.615 0.344 -7.632) 7.665 16.650 ( -2.587 0.362 -2.798) 3.828 16.703 ( 0.323 -1.010 -0.662) 1.250 16.721 ( 0.985 3.113 0.100) 3.267 16.782 ( -1.803 2.789 -0.741) 3.403 16.825 ( -2.382 2.444 -3.144) 4.641 17.056 ( 3.350 2.561 2.421) 4.862 17.131 ( 3.734 3.035 -0.657) 4.857 17.266 ( -4.758 2.376 -2.421) 5.843 17.475 ( 1.019 0.682 6.637) 6.749 17.613 ( -3.834 -3.509 -6.918) 8.652 17.777 ( -2.888 -1.423 2.302) 3.958 17.838 ( -5.857 0.217 1.850) 6.146 17.979 ( -5.221 -0.497 -2.814) 5.952 19.174 ( 1.256 -1.032 -1.732) 2.376 19.241 ( -0.625 -0.698 -2.420) 2.595 19.288 ( -0.360 1.451 -3.980) 4.252 19.297 ( -0.468 1.455 -4.065) 4.343 ======================= Grid point 241 (80/120) ======================= q-point: ( 0.43 0.10 0.33) 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| 3.315 ( 22.374 -3.033 32.789) 39.811 3.675 ( 21.405 8.024 23.723) 32.944 3.809 ( -20.639 -1.445 27.636) 34.523 4.181 ( -23.554 10.592 21.966) 33.904 5.112 ( 10.893 -0.293 -18.248) 21.254 5.137 ( 15.336 5.006 -2.899) 16.391 5.321 ( -2.979 0.779 -17.060) 17.335 5.349 ( 2.303 4.842 -2.421) 5.883 5.677 ( -5.660 3.284 -1.464) 6.705 5.786 ( -7.993 7.421 10.736) 15.304 6.051 ( 9.977 -0.473 -5.854) 11.578 6.275 ( -11.584 -0.571 -12.076) 16.743 6.783 ( 0.724 0.327 -9.529) 9.562 6.894 ( -10.520 1.623 1.369) 10.732 7.160 ( 11.258 -8.742 5.352) 15.225 7.342 ( -6.097 -9.291 -0.445) 11.122 7.670 ( 11.574 -13.436 7.447) 19.234 7.831 ( -3.670 -14.755 2.187) 15.361 8.106 ( 5.725 -1.603 -15.434) 16.540 8.235 ( -3.120 3.022 -5.539) 7.039 8.307 ( -3.836 4.556 -2.898) 6.623 8.372 ( -5.949 7.171 0.977) 9.369 8.626 ( 5.575 1.565 -7.421) 9.413 8.743 ( -5.791 -4.340 -8.489) 11.155 13.219 ( 7.913 -1.994 5.367) 9.767 13.245 ( 6.873 -1.440 5.025) 8.635 13.333 ( -3.617 -3.051 8.046) 9.335 13.368 ( -4.349 -0.892 5.018) 6.700 14.328 ( 8.029 0.486 7.767) 11.181 14.482 ( -2.975 -3.301 8.431) 9.530 14.657 ( 13.431 -0.915 -0.475) 13.471 14.804 ( 13.234 -3.481 7.020) 15.380 14.980 ( -6.992 0.932 2.099) 7.359 15.009 ( 3.709 0.364 1.044) 3.871 15.104 ( -13.149 -2.929 8.323) 15.835 15.254 ( -12.049 3.619 7.127) 14.459 15.878 ( 5.346 2.456 1.973) 6.205 15.958 ( -3.525 1.519 -1.148) 4.006 16.010 ( 4.055 -0.285 -1.580) 4.361 16.114 ( -5.589 1.530 -4.221) 7.169 16.393 ( 6.251 -0.416 -5.444) 8.300 16.443 ( 4.477 0.526 -3.265) 5.566 16.493 ( -3.204 1.052 -6.399) 7.233 16.556 ( -6.245 -0.222 -2.326) 6.668 16.724 ( 1.428 0.226 -1.738) 2.261 16.745 ( 1.224 3.020 -1.491) 3.583 16.751 ( -1.178 1.971 -1.751) 2.887 16.778 ( -2.131 2.887 -2.491) 4.368 17.121 ( 2.643 -1.102 2.394) 3.733 17.172 ( -2.735 -0.077 0.941) 2.894 17.263 ( 8.154 2.988 -2.910) 9.159 17.454 ( -9.417 -0.569 -4.525) 10.463 17.547 ( 4.857 1.609 5.103) 7.226 17.681 ( -7.591 1.003 3.470) 8.407 17.803 ( 2.769 -1.514 -1.229) 3.386 17.880 ( -4.633 -1.865 -1.967) 5.367 19.201 ( 1.348 -1.229 -2.107) 2.787 19.225 ( -1.014 -1.183 -2.394) 2.856 19.284 ( -0.021 1.867 -3.724) 4.166 19.288 ( -0.372 1.896 -3.903) 4.356 ======================= Grid point 245 (81/120) ======================= q-point: ( 0.00 0.20 0.33) 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| 2.646 ( 0.000 21.705 31.530) 38.279 2.663 ( 0.000 8.718 40.414) 41.343 4.597 ( 0.000 11.085 -23.355) 25.852 4.732 ( 0.000 17.519 1.462) 17.580 4.899 ( 0.000 -2.575 14.312) 14.541 5.203 ( 0.000 17.488 16.581) 24.099 5.335 ( 0.000 -6.200 6.041) 8.657 5.595 ( 0.000 -1.660 2.907) 3.348 5.704 ( 0.000 5.337 -5.556) 7.704 5.784 ( 0.000 2.267 10.618) 10.857 6.279 ( 0.000 -6.981 -8.086) 10.682 6.296 ( 0.000 -10.270 -3.941) 11.000 6.456 ( 0.000 -12.123 7.454) 14.231 6.871 ( 0.000 -4.640 -15.925) 16.587 7.004 ( 0.000 -10.266 -12.241) 15.976 7.077 ( 0.000 -13.205 -11.548) 17.542 7.181 ( 0.000 -5.580 -18.471) 19.296 7.730 ( 0.000 -0.339 -25.838) 25.841 8.171 ( 0.000 -10.086 6.617) 12.063 8.253 ( 0.000 14.476 12.619) 19.204 8.563 ( 0.000 -6.009 0.228) 6.013 8.684 ( 0.000 -8.658 -1.578) 8.801 8.724 ( 0.000 10.818 -2.648) 11.137 8.790 ( 0.000 1.511 2.108) 2.593 12.808 ( 0.000 -1.936 -1.530) 2.468 12.885 ( 0.000 -3.394 -1.226) 3.609 13.247 ( 0.000 -5.712 5.032) 7.612 13.279 ( 0.000 -5.650 5.391) 7.809 13.877 ( 0.000 -2.398 7.545) 7.917 14.052 ( 0.000 0.132 8.892) 8.893 14.232 ( 0.000 3.371 1.768) 3.806 14.529 ( 0.000 -3.753 -3.722) 5.286 15.073 ( 0.000 2.450 4.248) 4.904 15.379 ( 0.000 -3.854 -1.046) 3.993 15.423 ( 0.000 -3.725 9.760) 10.447 15.568 ( 0.000 2.803 4.460) 5.268 15.699 ( 0.000 3.842 7.861) 8.749 15.904 ( 0.000 -5.356 3.161) 6.219 16.058 ( 0.000 0.867 -3.228) 3.342 16.122 ( 0.000 0.759 -2.762) 2.865 16.326 ( 0.000 0.413 -3.328) 3.353 16.431 ( 0.000 -1.778 -2.043) 2.709 16.508 ( 0.000 5.402 -4.757) 7.198 16.698 ( 0.000 2.531 -5.876) 6.398 16.760 ( 0.000 3.273 3.425) 4.737 16.771 ( 0.000 -0.393 0.507) 0.641 16.834 ( 0.000 4.226 2.924) 5.139 16.989 ( 0.000 6.006 -4.071) 7.256 17.103 ( 0.000 6.649 1.002) 6.724 17.173 ( 0.000 5.378 3.301) 6.310 17.473 ( 0.000 2.486 1.465) 2.886 17.514 ( 0.000 -6.233 -3.873) 7.338 17.518 ( 0.000 3.979 -0.234) 3.986 17.858 ( 0.000 -3.990 0.483) 4.019 17.871 ( 0.000 -4.035 4.870) 6.324 18.142 ( 0.000 0.487 -6.199) 6.218 19.132 ( 0.000 -0.531 0.436) 0.686 19.250 ( 0.000 -0.425 -1.465) 1.525 19.318 ( 0.000 0.868 -2.864) 2.992 19.331 ( 0.000 1.646 -4.943) 5.210 ======================= Grid point 246 (82/120) ======================= q-point: ( 0.14 0.20 0.33) 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| 2.725 ( 8.390 9.935 37.837) 40.009 2.888 ( 20.586 18.034 29.141) 39.977 4.601 ( -5.954 6.002 -1.626) 8.609 4.758 ( -0.827 6.987 -7.821) 10.520 4.830 ( 3.788 11.534 5.520) 13.336 5.207 ( -6.110 6.840 14.441) 17.107 5.279 ( 0.188 7.592 4.471) 8.812 5.498 ( -9.846 4.669 6.509) 12.693 5.710 ( 6.456 -6.318 -1.032) 9.091 5.868 ( 5.343 6.431 -1.233) 8.451 6.155 ( -10.463 -5.529 -8.886) 14.799 6.336 ( 3.055 -10.161 -4.970) 11.717 6.598 ( 10.107 -12.611 6.414) 17.387 6.829 ( -3.233 -5.341 -12.979) 14.403 6.985 ( -2.603 -4.854 -14.165) 15.198 7.089 ( 3.667 -15.266 -8.169) 17.699 7.238 ( 3.305 -9.540 -13.171) 16.595 7.789 ( 5.334 -0.971 -24.541) 25.132 8.061 ( -11.135 2.084 11.043) 15.820 8.247 ( 0.661 1.592 6.796) 7.011 8.557 ( -0.984 -5.433 -0.440) 5.539 8.668 ( -3.235 0.273 -2.745) 4.252 8.698 ( -1.503 0.565 -1.909) 2.494 8.749 ( -3.486 3.354 1.827) 5.171 12.862 ( 5.379 -1.770 -0.651) 5.700 12.933 ( 4.699 -3.189 -0.595) 5.710 13.279 ( 1.672 -6.137 6.777) 9.294 13.302 ( 2.864 -4.495 3.054) 6.143 13.953 ( 7.570 -3.032 6.017) 10.134 14.125 ( 7.257 -0.246 8.374) 11.083 14.243 ( 1.341 2.857 2.200) 3.847 14.572 ( 4.296 -3.932 -2.687) 6.414 15.031 ( -4.099 3.235 4.574) 6.942 15.352 ( -4.323 -3.838 1.487) 5.969 15.401 ( -2.327 -3.340 4.305) 5.925 15.542 ( -1.620 2.907 7.064) 7.808 15.709 ( 1.478 3.511 7.450) 8.367 15.914 ( 0.706 -4.498 3.116) 5.518 16.104 ( -0.240 2.490 -2.718) 3.694 16.120 ( 4.346 -0.760 -3.321) 5.522 16.308 ( -1.696 0.499 -3.550) 3.965 16.425 ( -0.983 -0.470 -2.670) 2.884 16.503 ( 0.117 3.589 -4.169) 5.502 16.693 ( -0.680 0.888 -6.892) 6.982 16.728 ( -2.177 1.748 3.616) 4.569 16.780 ( 0.865 3.989 2.828) 4.966 16.847 ( 0.565 2.812 1.061) 3.058 16.957 ( -2.956 5.667 -2.899) 7.018 17.120 ( 1.144 6.322 1.165) 6.529 17.169 ( 0.011 4.748 1.993) 5.150 17.428 ( -5.766 0.688 -3.195) 6.627 17.480 ( 0.641 1.319 4.249) 4.495 17.553 ( 0.976 -1.752 -3.351) 3.905 17.810 ( -3.760 -3.575 2.456) 5.740 17.866 ( -1.302 -3.686 2.536) 4.660 18.094 ( -4.665 0.359 -5.756) 7.418 19.139 ( 0.643 -0.573 0.328) 0.922 19.244 ( -0.574 -0.480 -1.420) 1.605 19.318 ( -0.029 1.099 -3.008) 3.202 19.331 ( -0.029 1.652 -4.695) 4.977 ======================= Grid point 247 (83/120) ======================= q-point: ( 0.29 0.20 0.33) 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| 2.966 ( 15.753 7.748 34.939) 39.102 3.385 ( 27.326 15.659 22.527) 38.722 4.265 ( -22.369 1.895 21.080) 30.795 4.775 ( -8.771 8.799 5.028) 13.403 4.990 ( 1.134 4.035 -12.602) 13.281 5.017 ( 7.735 10.444 -3.432) 13.442 5.352 ( 2.980 6.088 2.386) 7.186 5.402 ( 0.305 4.439 1.997) 4.877 5.846 ( 4.439 0.725 -5.233) 6.901 5.906 ( -4.912 -1.369 -4.495) 6.798 5.989 ( 1.018 7.078 -2.328) 7.520 6.382 ( -0.884 -6.796 -10.781) 12.775 6.713 ( 2.578 -8.406 -2.791) 9.224 6.805 ( 1.361 -9.340 -4.505) 10.458 6.985 ( 1.697 -6.331 -3.403) 7.385 7.142 ( 0.117 -15.865 -3.907) 16.340 7.289 ( 2.790 -11.845 -3.800) 12.749 7.786 ( -13.647 0.361 8.821) 16.254 7.926 ( 7.074 -1.905 -20.584) 21.849 8.281 ( 2.619 1.087 3.069) 4.179 8.494 ( -6.675 0.619 -4.100) 7.858 8.575 ( -4.195 1.154 -0.080) 4.351 8.652 ( -2.993 -5.164 -2.955) 6.660 8.688 ( -2.618 2.397 -0.439) 3.577 13.008 ( 8.714 -1.889 1.359) 9.019 13.057 ( 7.423 -2.653 0.362) 7.891 13.293 ( -0.305 -5.017 6.519) 8.231 13.356 ( 1.387 -3.632 2.087) 4.412 14.159 ( 12.016 -3.761 3.819) 13.157 14.273 ( 5.517 2.212 3.283) 6.790 14.356 ( 12.354 -2.938 6.337) 14.192 14.678 ( 4.662 -4.301 -0.131) 6.345 14.942 ( -2.558 4.646 4.361) 6.867 15.204 ( -10.237 -2.830 1.022) 10.670 15.289 ( -8.732 -1.380 4.355) 9.855 15.491 ( -5.349 2.419 6.785) 8.972 15.789 ( 6.722 2.040 6.441) 9.531 15.930 ( 1.331 -2.785 2.505) 3.975 16.063 ( -2.757 2.503 -1.647) 4.072 16.243 ( 1.145 -1.350 -0.806) 1.945 16.270 ( 2.913 3.262 -6.282) 7.655 16.402 ( -0.336 0.745 -3.147) 3.251 16.522 ( 1.137 0.812 -3.817) 4.064 16.676 ( -3.869 1.866 3.152) 5.327 16.684 ( 0.506 -0.584 -5.112) 5.170 16.803 ( 1.241 4.905 1.805) 5.372 16.841 ( -1.437 2.831 -0.605) 3.232 16.893 ( -2.756 4.952 -2.048) 6.026 17.121 ( -0.735 3.610 4.231) 5.610 17.203 ( 3.134 4.205 -2.095) 5.648 17.299 ( -6.343 0.395 -0.241) 6.360 17.509 ( 2.452 2.719 2.692) 4.544 17.547 ( -2.287 -2.485 -3.347) 4.755 17.735 ( -2.884 -2.908 2.495) 4.796 17.820 ( -3.191 -2.180 1.365) 4.099 17.970 ( -7.385 -0.363 -4.493) 8.652 19.157 ( 1.129 -0.665 0.034) 1.311 19.228 ( -0.958 -0.599 -1.215) 1.659 19.318 ( 0.070 1.505 -3.253) 3.585 19.329 ( -0.161 1.756 -4.286) 4.635 ======================= Grid point 248 (84/120) ======================= q-point: ( 0.43 0.20 0.33) 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| 3.334 ( 21.072 5.845 30.606) 37.616 3.766 ( -17.393 4.646 25.408) 31.139 3.946 ( 19.102 12.956 19.634) 30.302 4.405 ( -22.593 12.279 17.180) 30.925 5.113 ( 8.125 0.137 -14.309) 16.455 5.207 ( 4.242 1.287 -7.351) 8.584 5.321 ( 0.320 -0.955 -20.752) 20.777 5.442 ( -4.207 3.196 -11.142) 12.331 5.803 ( 6.185 10.084 10.708) 15.956 5.972 ( -5.331 10.610 4.730) 12.781 6.066 ( 10.646 2.971 -7.602) 13.414 6.264 ( -9.208 -0.636 -14.510) 17.197 6.776 ( 4.508 -1.965 -4.750) 6.837 6.897 ( 0.487 -8.664 1.657) 8.834 6.938 ( 0.408 -7.555 1.615) 7.737 7.080 ( -6.087 -16.974 1.300) 18.079 7.390 ( 7.148 -14.388 3.286) 16.399 7.552 ( -9.500 -11.207 5.537) 15.700 8.089 ( 9.142 0.134 -17.191) 19.472 8.274 ( -7.985 1.461 -10.255) 13.079 8.398 ( 2.762 3.632 1.434) 4.783 8.491 ( -4.927 4.272 2.580) 7.013 8.618 ( -0.209 -6.193 -4.231) 7.503 8.638 ( -2.076 -2.199 -2.794) 4.117 13.164 ( 6.427 -3.200 3.867) 8.155 13.215 ( 7.929 -1.884 0.600) 8.172 13.260 ( -3.181 -3.987 5.356) 7.396 13.335 ( -3.677 -2.450 1.432) 4.644 14.342 ( 7.067 0.832 5.233) 8.833 14.420 ( 3.822 -2.578 4.842) 6.685 14.595 ( 9.652 -5.331 0.926) 11.065 14.706 ( 1.601 -6.484 0.777) 6.724 14.991 ( -7.775 1.910 2.371) 8.350 15.050 ( 11.376 2.201 3.384) 12.071 15.080 ( -10.934 0.419 6.096) 12.525 15.309 ( -12.397 1.838 4.426) 13.292 15.915 ( 4.332 0.716 5.088) 6.721 15.966 ( -0.100 -1.633 2.791) 3.235 16.039 ( 3.371 4.244 -0.586) 5.451 16.154 ( -5.939 2.469 -1.563) 6.619 16.410 ( 6.501 2.179 -3.996) 7.936 16.440 ( 4.731 -0.688 -2.272) 5.293 16.508 ( -3.189 0.502 -4.108) 5.224 16.566 ( -6.572 1.203 -0.311) 6.689 16.726 ( 3.332 -0.004 -2.319) 4.060 16.792 ( -2.894 2.382 -1.708) 4.119 16.828 ( 1.058 4.719 -0.322) 4.846 16.854 ( -1.596 4.939 -1.964) 5.550 17.118 ( 1.039 0.835 4.385) 4.583 17.171 ( -4.203 0.162 2.975) 5.152 17.315 ( 6.029 2.323 -2.773) 7.031 17.448 ( -6.753 -0.140 -3.347) 7.538 17.587 ( 5.247 2.391 2.634) 6.339 17.693 ( -3.795 -0.644 2.156) 4.412 17.769 ( 0.144 -1.526 -0.799) 1.728 17.833 ( -5.592 -2.503 -2.527) 6.627 19.181 ( 1.311 -0.731 -0.378) 1.548 19.207 ( -1.207 -0.707 -0.830) 1.626 19.320 ( 0.192 1.796 -3.555) 3.988 19.325 ( -0.240 1.863 -3.909) 4.337 ======================= Grid point 252 (85/120) ======================= q-point: ( 0.00 0.30 0.33) 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| 2.970 ( 0.000 22.377 32.124) 39.150 3.119 ( 0.000 26.537 28.701) 39.089 4.763 ( 0.000 3.002 -10.629) 11.045 4.910 ( 0.000 -2.975 6.705) 7.335 4.911 ( 0.000 3.330 6.097) 6.947 5.257 ( 0.000 2.666 -17.274) 17.478 5.473 ( 0.000 -4.388 -8.915) 9.937 5.558 ( 0.000 13.690 9.799) 16.836 5.892 ( 0.000 15.828 10.159) 18.807 5.919 ( 0.000 8.187 8.064) 11.491 6.083 ( 0.000 -10.588 -5.354) 11.865 6.144 ( 0.000 -6.583 -2.965) 7.220 6.265 ( 0.000 -6.850 1.655) 7.047 6.746 ( 0.000 -8.308 -18.121) 19.935 6.753 ( 0.000 -13.881 -6.865) 15.486 6.846 ( 0.000 -10.349 -11.943) 15.803 6.980 ( 0.000 -14.948 -17.649) 23.128 7.763 ( 0.000 3.063 -23.133) 23.335 8.009 ( 0.000 -6.750 2.228) 7.108 8.213 ( 0.000 -22.573 -2.749) 22.740 8.514 ( 0.000 11.878 12.107) 16.961 8.712 ( 0.000 4.895 6.056) 7.787 8.819 ( 0.000 1.324 4.395) 4.590 8.886 ( 0.000 5.737 0.046) 5.737 12.785 ( 0.000 -0.151 -3.824) 3.827 12.826 ( 0.000 -2.333 -4.158) 4.768 13.108 ( 0.000 -7.944 1.346) 8.058 13.158 ( 0.000 -6.929 -1.549) 7.100 13.862 ( 0.000 1.048 7.831) 7.901 14.065 ( 0.000 1.031 6.562) 6.643 14.293 ( 0.000 2.512 -1.230) 2.797 14.437 ( 0.000 -5.488 -3.849) 6.704 15.111 ( 0.000 1.114 2.204) 2.470 15.336 ( 0.000 -4.916 8.673) 9.969 15.344 ( 0.000 1.020 -2.977) 3.147 15.612 ( 0.000 1.596 6.370) 6.567 15.736 ( 0.000 -0.255 5.073) 5.080 15.812 ( 0.000 -4.366 2.052) 4.824 16.094 ( 0.000 2.874 0.053) 2.875 16.137 ( 0.000 0.879 -3.773) 3.874 16.324 ( 0.000 -0.433 -1.471) 1.533 16.401 ( 0.000 -1.573 5.129) 5.365 16.624 ( 0.000 5.797 -4.673) 7.446 16.715 ( 0.000 -0.289 -6.664) 6.670 16.817 ( 0.000 4.544 2.728) 5.300 16.819 ( 0.000 2.743 6.196) 6.776 16.927 ( 0.000 5.309 4.531) 6.979 17.111 ( 0.000 6.402 -1.329) 6.539 17.245 ( 0.000 7.616 2.033) 7.883 17.258 ( 0.000 3.349 1.458) 3.653 17.397 ( 0.000 -5.414 -0.692) 5.458 17.462 ( 0.000 -1.590 6.538) 6.728 17.657 ( 0.000 7.572 -7.255) 10.487 17.765 ( 0.000 -5.089 0.563) 5.120 17.786 ( 0.000 -4.738 5.538) 7.288 18.129 ( 0.000 -1.805 -7.002) 7.231 19.130 ( 0.000 0.326 2.294) 2.317 19.235 ( 0.000 -1.085 0.244) 1.112 19.339 ( 0.000 1.245 -2.719) 2.990 19.361 ( 0.000 1.307 -4.387) 4.578 ======================= Grid point 253 (86/120) ======================= q-point: ( 0.14 0.30 0.33) 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| 3.030 ( 6.598 21.548 30.747) 38.121 3.310 ( 17.559 24.462 26.191) 39.908 4.695 ( -10.555 4.325 6.196) 12.981 4.838 ( -2.208 -1.189 -1.233) 2.795 4.971 ( 5.390 0.621 -0.798) 5.484 5.276 ( 0.854 3.985 -18.115) 18.568 5.429 ( -4.715 5.223 2.658) 7.522 5.557 ( -3.665 -0.200 -5.471) 6.589 5.809 ( 4.116 16.660 15.813) 23.336 5.975 ( -2.792 -0.056 -2.185) 3.546 6.077 ( 1.468 2.429 -1.269) 3.109 6.145 ( 1.574 -7.144 -4.987) 8.853 6.385 ( 9.045 -8.658 2.826) 12.836 6.706 ( -3.614 -7.810 -17.216) 19.247 6.775 ( 0.897 -15.899 -5.302) 16.784 6.862 ( 2.376 -6.953 -11.582) 13.716 6.975 ( -0.520 -16.770 -14.729) 22.326 7.810 ( 4.564 2.538 -22.053) 22.662 8.010 ( -1.122 -4.318 3.351) 5.580 8.226 ( 0.972 -21.156 -2.298) 21.303 8.391 ( -8.723 9.237 10.214) 16.301 8.723 ( -1.309 5.015 4.869) 7.111 8.766 ( -4.801 1.723 3.730) 6.319 8.844 ( -3.972 4.538 0.801) 6.083 12.839 ( 5.327 -0.311 -2.873) 6.060 12.879 ( 5.083 -2.139 -3.703) 6.643 13.146 ( 2.877 -7.319 1.530) 8.012 13.196 ( 3.620 -6.321 -1.926) 7.534 13.925 ( 6.337 0.375 6.289) 8.936 14.123 ( 5.911 0.133 6.137) 8.521 14.299 ( 0.817 2.583 -1.118) 2.931 14.474 ( 3.663 -6.033 -3.310) 7.795 15.089 ( -2.385 2.394 2.265) 4.068 15.289 ( -4.239 -2.852 5.338) 7.389 15.346 ( -1.113 -0.993 -0.282) 1.519 15.598 ( -1.281 2.580 6.639) 7.237 15.735 ( 0.406 -1.160 4.348) 4.518 15.834 ( 1.946 -3.818 3.057) 5.264 16.124 ( 1.009 1.705 -0.262) 1.999 16.150 ( 3.212 1.959 -2.437) 4.483 16.309 ( -1.364 -0.378 -1.662) 2.183 16.403 ( 0.190 -1.591 4.573) 4.846 16.601 ( -1.950 5.321 -4.468) 7.217 16.694 ( -1.608 0.253 -4.862) 5.128 16.790 ( -1.923 3.650 3.498) 5.409 16.852 ( 2.023 3.025 3.819) 5.275 16.916 ( -0.977 4.579 3.852) 6.063 17.081 ( -2.822 6.914 -0.548) 7.488 17.230 ( -2.012 3.664 3.227) 5.280 17.262 ( 0.970 5.839 -0.652) 5.955 17.368 ( -2.957 -4.041 0.001) 5.007 17.473 ( 1.078 -1.552 5.887) 6.183 17.634 ( -2.000 6.512 -6.800) 9.625 17.727 ( -3.074 -4.864 2.705) 6.358 17.786 ( -0.657 -4.276 2.770) 5.136 18.083 ( -4.544 -1.569 -6.667) 8.219 19.135 ( 0.552 0.261 2.205) 2.288 19.230 ( -0.516 -0.975 0.328) 1.151 19.341 ( 0.185 1.285 -2.798) 3.085 19.361 ( 0.013 1.324 -4.269) 4.469 ======================= Grid point 254 (87/120) ======================= q-point: ( 0.29 0.30 0.33) 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| 3.231 ( 13.434 19.128 27.639) 36.198 3.738 ( 23.804 20.493 20.749) 37.644 4.370 ( -19.592 8.975 15.102) 26.315 4.843 ( -0.444 -4.301 3.419) 5.512 5.068 ( 0.165 3.015 -5.740) 6.486 5.196 ( -5.186 9.866 0.534) 11.159 5.309 ( -3.603 -4.648 -15.960) 17.009 5.559 ( 1.376 4.673 -10.388) 11.474 5.886 ( -1.839 0.639 -3.242) 3.782 5.992 ( 10.937 9.501 3.717) 14.957 6.127 ( 3.194 5.625 1.863) 6.731 6.213 ( 3.714 -5.840 -7.698) 10.352 6.539 ( 5.543 -8.793 -0.751) 10.421 6.631 ( -2.493 -7.767 -12.967) 15.320 6.763 ( -1.828 -17.724 -1.796) 17.909 6.901 ( -1.375 -9.439 -13.132) 16.230 7.003 ( 5.793 -12.669 -3.309) 14.318 7.857 ( -15.247 5.734 9.964) 19.095 7.933 ( 7.530 1.680 -18.805) 20.326 8.229 ( 0.756 -13.886 -0.279) 13.909 8.342 ( 3.774 -3.184 1.114) 5.062 8.606 ( -8.572 3.502 -0.537) 9.275 8.665 ( -6.336 0.829 4.337) 7.722 8.748 ( -5.556 2.650 1.834) 6.422 12.976 ( 7.594 -1.179 -0.560) 7.705 13.012 ( 8.014 -1.825 -3.296) 8.856 13.192 ( 1.457 -5.138 1.741) 5.617 13.270 ( 2.805 -5.059 -2.223) 6.197 14.106 ( 11.522 -1.182 3.351) 12.057 14.288 ( 9.875 -2.128 4.154) 10.922 14.335 ( 3.228 1.980 -0.294) 3.798 14.569 ( 4.797 -6.832 -2.280) 8.654 15.025 ( -2.796 3.838 2.659) 5.443 15.172 ( -7.204 -0.444 3.654) 8.090 15.269 ( -6.712 -0.280 1.467) 6.876 15.526 ( -7.127 0.781 3.493) 7.976 15.796 ( 5.919 -1.307 5.450) 8.152 15.879 ( 2.500 -2.405 4.070) 5.348 16.121 ( -0.392 3.505 0.594) 3.577 16.241 ( 1.736 1.005 1.613) 2.574 16.298 ( 3.325 -0.165 -3.529) 4.852 16.411 ( 0.782 -0.331 2.601) 2.736 16.569 ( -1.050 3.883 -2.363) 4.665 16.673 ( 0.040 0.084 -2.048) 2.050 16.723 ( -5.086 2.365 1.474) 5.799 16.882 ( -0.555 1.462 0.452) 1.628 16.899 ( 0.448 4.907 3.598) 6.101 17.017 ( -3.126 7.530 -0.539) 8.171 17.175 ( -3.172 1.280 3.657) 5.008 17.279 ( -3.211 1.896 0.313) 3.742 17.300 ( 0.472 2.312 -0.274) 2.375 17.496 ( 0.449 -1.583 4.205) 4.516 17.592 ( -1.649 3.134 -5.380) 6.441 17.667 ( -2.175 -3.499 3.106) 5.160 17.761 ( -1.523 -3.179 1.012) 3.668 17.960 ( -7.417 -0.800 -5.666) 9.368 19.151 ( 0.991 0.083 1.938) 2.178 19.216 ( -0.880 -0.725 0.600) 1.289 19.346 ( 0.302 1.374 -3.017) 3.329 19.360 ( -0.075 1.378 -3.992) 4.223 ======================= Grid point 255 (88/120) ======================= q-point: ( 0.43 0.30 0.33) 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| 3.549 ( 18.332 15.947 23.646) 33.904 3.933 ( -18.837 12.618 19.184) 29.700 4.239 ( 20.996 16.889 16.741) 31.723 4.648 ( -18.277 12.134 13.739) 25.885 5.056 ( 4.285 -6.796 -6.123) 10.101 5.169 ( -5.383 -6.896 -5.036) 10.094 5.325 ( 7.177 3.667 -17.425) 19.198 5.485 ( -7.680 2.100 -14.407) 16.461 5.996 ( 10.640 7.915 -5.966) 14.542 6.158 ( 0.619 7.508 -4.455) 8.752 6.173 ( 2.586 5.480 -3.336) 6.917 6.225 ( -2.200 -3.999 -10.703) 11.635 6.589 ( 3.545 -13.176 -0.416) 13.651 6.677 ( -0.251 -13.910 -0.750) 13.933 6.716 ( 1.739 -14.494 -2.426) 14.798 6.827 ( -5.387 -11.411 -9.122) 15.570 7.188 ( 12.657 -2.543 4.637) 13.717 7.501 ( -18.378 5.505 10.510) 21.875 8.100 ( 8.926 0.309 -14.091) 16.683 8.238 ( -2.745 -7.607 -6.180) 10.179 8.443 ( 2.792 1.356 0.711) 3.184 8.477 ( 0.138 -2.988 0.605) 3.051 8.533 ( -4.956 -2.506 2.396) 6.048 8.621 ( -7.166 0.254 0.954) 7.234 13.107 ( 5.249 -2.516 0.888) 5.888 13.156 ( 3.337 -3.788 -0.758) 5.105 13.206 ( 2.019 -1.691 -0.340) 2.655 13.279 ( -2.129 -3.126 -2.324) 4.439 14.341 ( 10.471 -1.096 2.225) 10.760 14.405 ( 3.498 1.074 0.714) 3.728 14.475 ( 6.423 -6.316 0.776) 9.042 14.580 ( -4.450 -5.851 -1.024) 7.422 15.038 ( -1.010 2.047 3.716) 4.361 15.087 ( 6.217 1.939 0.799) 6.561 15.111 ( -6.944 2.451 3.853) 8.311 15.321 ( -12.689 -0.595 1.182) 12.758 15.906 ( 3.510 -1.349 6.083) 7.151 15.924 ( 1.429 -2.101 4.474) 5.145 16.136 ( 2.551 4.975 2.347) 6.064 16.204 ( -3.343 2.386 0.692) 4.165 16.422 ( 5.871 -0.941 -0.786) 5.998 16.456 ( 4.830 1.625 2.908) 5.867 16.528 ( -3.899 1.846 -1.427) 4.544 16.593 ( -7.089 1.336 2.178) 7.536 16.726 ( 4.980 0.135 -3.120) 5.878 16.832 ( -4.422 1.625 -1.737) 5.021 16.918 ( 1.381 4.455 0.424) 4.683 16.961 ( -2.738 5.701 -1.793) 6.574 17.141 ( 0.676 1.341 5.161) 5.375 17.192 ( -3.891 2.288 4.678) 6.500 17.356 ( 3.894 1.930 -2.064) 4.811 17.445 ( -4.697 -0.110 -1.235) 4.857 17.613 ( 2.932 -1.436 0.555) 3.312 17.647 ( -0.508 -3.004 2.276) 3.803 17.742 ( 0.334 -0.825 -1.159) 1.461 17.813 ( -6.611 0.477 -4.062) 7.774 19.173 ( 1.183 -0.165 1.520) 1.933 19.196 ( -1.113 -0.442 1.035) 1.582 19.352 ( 0.310 1.441 -3.324) 3.637 19.357 ( -0.215 1.437 -3.662) 3.940 ======================= Grid point 259 (89/120) ======================= q-point: ( 0.00 0.40 0.33) 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| 3.485 ( 0.000 29.384 22.729) 37.149 3.648 ( 0.000 27.303 26.403) 37.982 4.593 ( 0.000 -19.570 4.319) 20.041 4.653 ( 0.000 -19.722 20.513) 28.456 5.031 ( 0.000 9.352 1.744) 9.513 5.366 ( 0.000 1.916 -25.551) 25.622 5.554 ( 0.000 10.605 -22.229) 24.629 5.695 ( 0.000 3.144 -3.035) 4.370 5.945 ( 0.000 0.091 -5.343) 5.344 6.026 ( 0.000 -1.932 -0.381) 1.969 6.070 ( 0.000 3.675 2.418) 4.399 6.120 ( 0.000 -0.502 -8.217) 8.232 6.280 ( 0.000 6.889 -1.810) 7.123 6.522 ( 0.000 -9.125 -3.882) 9.916 6.550 ( 0.000 -11.922 -19.148) 22.556 6.655 ( 0.000 -16.234 -15.462) 22.419 6.773 ( 0.000 8.941 4.772) 10.135 7.695 ( 0.000 -26.002 5.024) 26.483 7.831 ( 0.000 3.652 -17.707) 18.080 7.956 ( 0.000 -3.719 -5.464) 6.609 8.702 ( 0.000 7.435 10.623) 12.966 8.815 ( 0.000 4.962 6.199) 7.940 8.834 ( 0.000 0.381 6.430) 6.441 8.944 ( 0.000 0.386 2.607) 2.636 12.806 ( 0.000 0.553 -5.693) 5.720 12.809 ( 0.000 2.724 -5.528) 6.162 12.960 ( 0.000 -6.953 -2.721) 7.467 13.018 ( 0.000 -7.235 -5.058) 8.827 13.917 ( 0.000 4.387 6.195) 7.591 14.075 ( 0.000 -0.778 4.140) 4.213 14.319 ( 0.000 0.116 -2.741) 2.744 14.337 ( 0.000 -3.926 -2.958) 4.916 15.127 ( 0.000 1.150 3.013) 3.225 15.244 ( 0.000 -4.462 6.473) 7.862 15.420 ( 0.000 6.207 -5.031) 7.990 15.636 ( 0.000 1.229 6.474) 6.590 15.690 ( 0.000 -4.795 -0.376) 4.810 15.726 ( 0.000 -3.996 3.014) 5.005 16.153 ( 0.000 2.677 -2.119) 3.414 16.160 ( 0.000 1.409 -3.699) 3.958 16.317 ( 0.000 -0.143 4.018) 4.020 16.364 ( 0.000 -2.124 8.031) 8.307 16.710 ( 0.000 2.711 -3.219) 4.208 16.718 ( 0.000 0.678 -3.469) 3.535 16.868 ( 0.000 2.430 8.183) 8.536 16.895 ( 0.000 2.690 4.634) 5.358 17.036 ( 0.000 5.730 5.027) 7.622 17.204 ( 0.000 0.592 5.674) 5.704 17.314 ( 0.000 3.859 -5.448) 6.676 17.334 ( 0.000 0.215 2.621) 2.629 17.376 ( 0.000 4.233 1.089) 4.371 17.434 ( 0.000 0.022 5.879) 5.879 17.631 ( 0.000 -6.302 0.670) 6.337 17.687 ( 0.000 -5.449 6.004) 8.108 17.827 ( 0.000 7.757 -7.242) 10.613 18.071 ( 0.000 -4.220 -7.414) 8.531 19.145 ( 0.000 1.223 3.426) 3.638 19.208 ( 0.000 -1.646 2.138) 2.698 19.363 ( 0.000 1.132 -2.941) 3.151 19.379 ( 0.000 0.506 -3.818) 3.852 ======================= Grid point 260 (90/120) ======================= q-point: ( 0.14 0.40 0.33) 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| 3.521 ( 4.492 27.761 21.847) 35.611 3.808 ( 14.582 26.278 24.083) 38.512 4.557 ( -0.275 -18.299 7.723) 19.864 4.787 ( 8.821 -17.260 14.185) 24.019 4.916 ( -10.011 9.593 4.131) 14.468 5.332 ( -3.465 -1.422 -21.911) 22.229 5.575 ( -0.411 8.367 -17.394) 19.306 5.622 ( -6.029 5.678 -3.374) 8.943 5.878 ( -2.028 1.924 -4.713) 5.480 5.991 ( -1.949 -1.008 -1.496) 2.656 6.158 ( 5.775 4.762 -6.112) 9.664 6.173 ( 3.260 -1.607 -6.303) 7.276 6.322 ( 3.825 1.983 -3.154) 5.339 6.490 ( -2.688 -11.843 -7.648) 14.352 6.551 ( -0.318 -8.296 -15.199) 17.319 6.645 ( -0.900 -15.266 -15.088) 21.483 6.834 ( 6.149 9.681 5.713) 12.813 7.723 ( 2.932 -24.436 4.757) 25.067 7.874 ( 4.088 2.948 -16.299) 17.061 7.988 ( 2.706 -3.170 -4.686) 6.271 8.566 ( -11.043 8.331 10.513) 17.375 8.771 ( -6.104 -1.333 6.746) 9.195 8.812 ( -2.631 3.516 5.029) 6.676 8.898 ( -4.311 1.336 2.407) 5.115 12.855 ( 4.477 1.813 -3.976) 6.256 12.861 ( 5.208 0.538 -5.641) 7.697 13.010 ( 4.362 -6.288 -2.981) 8.214 13.070 ( 4.848 -6.191 -5.221) 9.438 13.968 ( 5.229 3.903 4.919) 8.171 14.121 ( 4.605 -0.937 3.703) 5.983 14.328 ( 1.103 -0.543 -2.583) 2.861 14.361 ( 2.416 -3.941 -3.110) 5.571 15.122 ( -0.821 1.350 3.157) 3.530 15.229 ( -1.683 -3.078 6.257) 7.173 15.395 ( -2.934 5.381 -4.184) 7.421 15.628 ( -2.929 -0.963 1.081) 3.268 15.679 ( 1.565 -2.687 4.047) 5.104 15.764 ( 3.278 -3.280 3.795) 5.992 16.167 ( 0.817 2.089 -2.403) 3.287 16.187 ( 3.370 1.801 -2.373) 4.498 16.301 ( -1.446 -0.178 3.715) 3.990 16.365 ( 0.269 -2.192 8.133) 8.428 16.672 ( -2.230 1.795 -3.892) 4.831 16.723 ( -0.891 2.361 -1.675) 3.029 16.847 ( -2.515 2.150 6.277) 7.095 16.895 ( 0.298 1.382 4.820) 5.023 17.015 ( -1.745 5.094 4.975) 7.332 17.190 ( -1.322 1.087 5.561) 5.818 17.273 ( -3.944 4.089 -3.731) 6.797 17.329 ( -0.468 0.799 2.594) 2.754 17.375 ( -0.314 3.908 -0.219) 3.927 17.448 ( 1.317 -0.262 5.769) 5.924 17.604 ( -2.492 -6.184 0.873) 6.724 17.672 ( -1.592 -4.532 4.463) 6.557 17.802 ( -2.166 6.558 -6.464) 9.459 18.032 ( -3.807 -3.713 -7.170) 8.927 19.149 ( 0.373 1.101 3.376) 3.570 19.206 ( -0.234 -1.466 2.188) 2.645 19.365 ( 0.177 1.100 -2.966) 3.168 19.379 ( 0.050 0.529 -3.754) 3.791 ======================= Grid point 261 (91/120) ======================= q-point: ( 0.29 0.40 0.33) 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| 3.670 ( 10.408 24.972 18.920) 33.014 4.161 ( 19.384 22.416 19.069) 35.240 4.559 ( -5.625 -1.630 4.195) 7.204 4.666 ( -5.863 -0.392 9.612) 11.265 4.977 ( 5.719 -13.408 8.283) 16.765 5.230 ( -7.049 -5.944 -10.785) 14.190 5.407 ( -8.948 10.080 1.341) 13.545 5.590 ( -2.216 1.344 -13.335) 13.585 5.917 ( 5.069 1.168 -9.574) 10.896 5.994 ( 2.893 1.206 -4.797) 5.730 6.213 ( 0.538 -2.760 -5.624) 6.288 6.252 ( 3.056 2.573 -10.280) 11.029 6.411 ( 4.756 -4.319 -7.694) 10.024 6.438 ( -2.004 -11.211 -7.469) 13.620 6.526 ( -2.260 -4.675 -16.656) 17.446 6.620 ( -1.678 -13.440 -14.510) 19.849 7.016 ( 12.245 11.939 9.151) 19.396 7.813 ( 5.761 -19.937 4.889) 21.321 7.961 ( 0.208 2.402 -6.837) 7.249 8.012 ( 0.285 1.647 -4.495) 4.796 8.370 ( -4.509 3.899 6.104) 8.531 8.607 ( -9.665 -3.947 6.984) 12.561 8.696 ( -8.434 2.809 1.480) 9.012 8.786 ( -7.097 1.145 2.189) 7.514 12.968 ( 6.203 0.277 -2.350) 6.639 12.991 ( 7.141 -0.276 -4.494) 8.442 13.102 ( 4.390 -3.900 -2.927) 6.561 13.174 ( 4.650 -4.352 -5.246) 8.251 14.120 ( 9.736 2.475 2.047) 10.252 14.246 ( 7.430 -1.846 2.189) 7.963 14.367 ( 2.916 0.222 -2.748) 4.013 14.435 ( 4.708 -5.697 -2.684) 7.863 15.083 ( -2.852 1.925 3.633) 5.004 15.174 ( -3.467 0.285 4.506) 5.692 15.297 ( -6.786 3.416 -1.857) 7.820 15.502 ( -9.050 -3.482 -1.236) 9.775 15.770 ( 6.272 -0.529 5.377) 8.279 15.838 ( 3.791 -1.883 4.867) 6.450 16.188 ( 1.225 3.014 -0.306) 3.268 16.268 ( -1.529 0.596 4.358) 4.656 16.284 ( 5.905 0.047 -2.123) 6.275 16.387 ( 2.317 -1.893 7.999) 8.540 16.642 ( -1.009 2.968 -2.306) 3.891 16.686 ( -1.880 1.022 0.469) 2.191 16.760 ( -6.237 1.299 4.168) 7.613 16.898 ( -0.580 0.337 1.397) 1.550 16.989 ( -0.459 4.081 4.000) 5.733 17.160 ( -3.284 -2.064 2.226) 4.472 17.172 ( -3.745 8.062 0.968) 8.942 17.307 ( -2.098 1.849 3.590) 4.551 17.369 ( 0.096 2.904 -1.374) 3.214 17.478 ( 1.365 -0.047 5.478) 5.646 17.545 ( -3.147 -5.428 -0.882) 6.336 17.626 ( -2.716 -3.431 2.675) 5.129 17.762 ( -1.410 3.611 -4.360) 5.835 17.932 ( -5.807 -2.151 -6.352) 8.871 19.160 ( 0.663 0.750 3.211) 3.363 19.199 ( -0.453 -1.001 2.350) 2.594 19.370 ( 0.277 1.010 -3.049) 3.224 19.380 ( 0.003 0.604 -3.592) 3.642 ======================= Grid point 262 (92/120) ======================= q-point: ( 0.43 0.40 0.33) 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| 3.923 ( 14.808 21.632 14.989) 30.198 4.237 ( -15.794 17.925 10.683) 26.170 4.577 ( 16.558 15.140 13.764) 26.321 4.723 ( 3.957 -8.673 6.473) 11.523 4.957 ( -5.193 -11.802 -0.865) 12.923 5.013 ( -12.717 6.573 4.952) 15.148 5.394 ( 5.552 -0.417 -4.103) 6.916 5.512 ( -5.355 -0.203 -7.678) 9.363 6.028 ( 5.616 -6.592 -6.466) 10.808 6.083 ( 2.885 -3.027 -9.912) 10.758 6.200 ( -0.001 -2.528 -5.486) 6.040 6.256 ( -2.655 -0.871 -8.940) 9.366 6.429 ( 1.082 -4.806 -11.028) 12.078 6.467 ( -2.259 -2.328 -13.329) 13.718 6.506 ( 3.723 -7.523 -14.817) 17.030 6.575 ( -2.942 -11.072 -14.380) 18.386 7.315 ( 17.712 13.364 11.642) 25.057 7.686 ( -18.343 11.597 10.755) 24.221 7.982 ( 7.906 -15.396 2.676) 17.513 8.080 ( 0.639 -4.723 -5.674) 7.410 8.421 ( 3.718 -1.935 1.543) 4.467 8.462 ( 0.465 -1.798 2.774) 3.338 8.518 ( -8.128 2.574 -0.741) 8.558 8.621 ( -9.202 -0.718 0.810) 9.265 13.071 ( 3.675 -1.198 -1.725) 4.233 13.094 ( 1.977 -2.379 -2.262) 3.832 13.181 ( 3.750 -0.888 -4.050) 5.590 13.224 ( 0.069 -2.263 -4.781) 5.290 14.319 ( 8.735 -0.899 -0.284) 8.786 14.371 ( 3.654 -3.958 -0.120) 5.388 14.434 ( 3.437 1.257 -2.103) 4.221 14.494 ( -0.625 -2.760 -1.868) 3.391 15.057 ( 1.483 0.339 3.408) 3.732 15.131 ( -1.492 2.126 1.146) 2.838 15.157 ( -3.430 1.982 1.104) 4.112 15.294 ( -10.984 -1.880 -0.902) 11.180 15.878 ( 3.545 -1.074 5.505) 6.635 15.895 ( 1.525 -0.983 5.621) 5.907 16.213 ( 1.296 2.783 1.910) 3.616 16.239 ( -1.302 1.104 2.328) 2.887 16.413 ( 6.779 0.127 2.821) 7.344 16.462 ( 4.795 -0.650 8.988) 10.207 16.568 ( -5.546 1.778 0.613) 5.856 16.613 ( -7.379 0.661 4.219) 8.526 16.735 ( 5.656 0.685 -3.183) 6.526 16.854 ( -4.646 0.701 -1.206) 4.851 16.994 ( 1.272 3.131 0.049) 3.380 17.051 ( -4.498 2.898 -1.648) 5.599 17.182 ( 2.415 3.159 5.952) 7.158 17.247 ( -3.606 2.806 5.163) 6.894 17.388 ( 1.925 1.387 -1.824) 2.992 17.447 ( -3.721 0.251 -1.027) 3.868 17.538 ( 1.931 -4.429 2.723) 5.546 17.578 ( -2.095 -4.172 2.982) 5.540 17.760 ( 1.458 1.840 -3.773) 4.444 17.823 ( -4.744 0.127 -4.959) 6.864 19.174 ( 0.759 0.223 2.935) 3.040 19.188 ( -0.654 -0.395 2.618) 2.727 19.375 ( 0.251 0.878 -3.196) 3.324 19.379 ( -0.127 0.730 -3.389) 3.469 ======================= Grid point 266 (93/120) ======================= q-point: ( 0.00 -0.50 0.33) 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| 4.013 ( 0.000 -13.680 19.363) 23.708 4.013 ( 0.000 13.680 19.363) 23.708 4.256 ( 0.000 -10.430 18.407) 21.157 4.256 ( 0.000 10.430 18.407) 21.157 5.243 ( 0.000 -11.246 -9.024) 14.419 5.243 ( 0.000 11.246 -9.024) 14.419 5.724 ( 0.000 -3.262 -15.459) 15.800 5.724 ( 0.000 3.262 -15.459) 15.800 6.026 ( 0.000 -2.171 -3.346) 3.989 6.026 ( 0.000 2.171 -3.346) 3.989 6.070 ( 0.000 -4.530 -10.798) 11.710 6.070 ( 0.000 4.530 -10.798) 11.710 6.364 ( 0.000 -4.475 -14.269) 14.954 6.364 ( 0.000 4.475 -14.269) 14.954 6.440 ( 0.000 -3.828 -9.624) 10.358 6.440 ( 0.000 3.828 -9.624) 10.358 7.175 ( 0.000 -26.548 12.633) 29.401 7.175 ( 0.000 26.548 12.633) 29.401 7.897 ( 0.000 -3.084 -11.706) 12.105 7.897 ( 0.000 3.084 -11.706) 12.105 8.803 ( 0.000 -3.130 8.702) 9.247 8.803 ( 0.000 3.130 8.702) 9.247 8.910 ( 0.000 -3.472 4.743) 5.878 8.910 ( 0.000 3.472 4.743) 5.878 12.851 ( 0.000 -4.066 -5.155) 6.565 12.851 ( 0.000 4.066 -5.155) 6.565 12.891 ( 0.000 -5.442 -6.203) 8.252 12.891 ( 0.000 5.442 -6.203) 8.252 14.014 ( 0.000 -4.958 4.050) 6.402 14.014 ( 0.000 4.958 4.050) 6.402 14.308 ( 0.000 -0.249 -2.562) 2.574 14.308 ( 0.000 0.249 -2.562) 2.574 15.168 ( 0.000 -3.100 4.276) 5.282 15.168 ( 0.000 3.100 4.276) 5.282 15.560 ( 0.000 -7.651 -5.261) 9.285 15.560 ( 0.000 7.651 -5.261) 9.285 15.669 ( 0.000 -2.141 6.175) 6.536 15.669 ( 0.000 2.141 6.175) 6.536 16.179 ( 0.000 -0.102 -5.091) 5.092 16.179 ( 0.000 0.102 -5.091) 5.092 16.328 ( 0.000 -1.353 9.044) 9.144 16.328 ( 0.000 1.353 9.044) 9.144 16.730 ( 0.000 -0.049 -2.111) 2.112 16.730 ( 0.000 0.049 -2.111) 2.112 16.908 ( 0.000 -1.168 7.400) 7.492 16.908 ( 0.000 1.168 7.400) 7.492 17.141 ( 0.000 -4.868 5.080) 7.036 17.141 ( 0.000 4.868 5.080) 7.036 17.365 ( 0.000 -2.135 2.465) 3.261 17.365 ( 0.000 2.135 2.465) 3.261 17.430 ( 0.000 -5.395 -2.392) 5.901 17.430 ( 0.000 5.395 -2.392) 5.901 17.586 ( 0.000 -3.811 5.944) 7.060 17.586 ( 0.000 3.811 5.944) 7.060 17.967 ( 0.000 -6.419 -7.564) 9.921 17.967 ( 0.000 6.419 -7.564) 9.921 19.175 ( 0.000 -1.726 3.356) 3.773 19.175 ( 0.000 1.726 3.356) 3.773 19.379 ( 0.000 -0.447 -3.319) 3.349 19.379 ( 0.000 0.447 -3.319) 3.349 ======================= Grid point 268 (94/120) ======================= q-point: ( 0.14 -0.50 0.33) 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| 3.979 ( 2.059 0.000 18.103) 18.220 4.133 ( 5.106 -0.000 13.295) 14.241 4.326 ( 11.230 -0.000 21.784) 24.508 4.396 ( 10.323 0.000 16.748) 19.673 5.137 ( -9.692 -0.000 -6.775) 11.825 5.178 ( -6.579 0.000 -6.261) 9.082 5.681 ( -4.221 0.000 -12.134) 12.848 5.713 ( -2.435 0.000 -9.726) 10.026 5.967 ( -2.568 -0.000 -9.056) 9.413 5.990 ( -0.419 0.000 -6.986) 6.998 6.091 ( 2.018 0.000 -7.287) 7.561 6.173 ( 4.548 0.000 -9.117) 10.189 6.347 ( -1.236 0.000 -11.658) 11.724 6.399 ( 2.741 0.000 -16.765) 16.988 6.412 ( 0.030 -0.000 -16.748) 16.748 6.471 ( 0.725 0.000 -9.551) 9.579 7.204 ( 4.194 -0.000 12.581) 13.261 7.245 ( 6.031 0.000 12.649) 14.013 7.926 ( 2.846 0.000 -10.764) 11.134 7.942 ( 4.284 0.000 -10.884) 11.697 8.694 ( -10.447 0.000 8.831) 13.679 8.712 ( -7.910 -0.000 9.472) 12.340 8.849 ( -4.230 0.000 4.279) 6.017 8.909 ( -2.955 0.000 3.583) 4.644 12.887 ( 3.066 0.000 -3.774) 4.863 12.890 ( 4.246 -0.000 -4.495) 6.183 12.927 ( 5.510 0.000 -6.583) 8.584 12.991 ( 6.827 -0.000 -6.717) 9.578 14.045 ( 4.043 0.000 2.889) 4.969 14.078 ( 5.482 -0.000 3.560) 6.536 14.293 ( 0.202 -0.000 -1.622) 1.635 14.346 ( 2.332 0.000 -3.745) 4.411 15.144 ( -1.456 0.000 5.141) 5.344 15.188 ( 0.443 -0.000 3.657) 3.684 15.518 ( -4.783 0.000 -3.651) 6.017 15.529 ( -3.233 -0.000 -4.490) 5.533 15.682 ( 2.893 -0.000 4.669) 5.493 15.722 ( 3.973 0.000 5.895) 7.109 16.192 ( 1.492 0.000 -5.546) 5.743 16.204 ( 2.312 0.000 -3.925) 4.555 16.307 ( -1.256 -0.000 8.695) 8.786 16.332 ( 0.211 0.000 9.670) 9.673 16.688 ( -2.040 0.000 -2.552) 3.268 16.749 ( -0.445 0.000 -1.250) 1.327 16.871 ( -3.355 0.000 7.184) 7.929 16.906 ( -0.337 -0.000 6.363) 6.372 17.084 ( -3.113 -0.000 5.280) 6.130 17.159 ( -0.439 0.000 3.991) 4.015 17.349 ( -0.619 0.000 2.856) 2.923 17.378 ( -2.356 -0.000 2.015) 3.100 17.390 ( -0.800 -0.000 -1.808) 1.977 17.439 ( -0.003 0.000 -0.996) 0.996 17.547 ( -1.922 -0.000 5.598) 5.919 17.597 ( -0.465 0.000 4.545) 4.569 17.908 ( -4.317 0.000 -6.975) 8.203 17.958 ( -2.094 -0.000 -7.541) 7.827 19.174 ( 0.027 -0.000 3.432) 3.432 19.178 ( 0.169 0.000 3.282) 3.286 19.380 ( 0.087 -0.000 -3.282) 3.283 19.381 ( 0.126 0.000 -3.316) 3.318 ======================= Grid point 270 (95/120) ======================= q-point: ( 0.29 -0.50 0.33) 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| 4.085 ( 8.291 0.000 13.558) 15.892 4.244 ( 6.949 -0.000 9.768) 11.987 4.614 ( 9.036 -0.000 12.386) 15.332 4.624 ( 16.285 0.000 17.596) 23.976 4.891 ( -13.823 -0.000 -0.797) 13.846 5.032 ( -5.888 0.000 0.168) 5.890 5.550 ( -8.425 0.000 -2.865) 8.899 5.615 ( -7.329 -0.000 -1.903) 7.572 5.966 ( 1.856 0.000 -12.903) 13.036 6.009 ( 1.658 -0.000 -9.082) 9.232 6.121 ( 1.389 0.000 -7.605) 7.731 6.215 ( -0.570 0.000 -5.012) 5.045 6.354 ( 2.638 0.000 -18.424) 18.611 6.427 ( 1.027 0.000 -20.730) 20.756 6.450 ( 1.337 -0.000 -20.543) 20.586 6.471 ( -0.117 0.000 -10.849) 10.850 7.345 ( 10.123 -0.000 12.325) 15.949 7.414 ( 10.968 0.000 11.878) 16.167 7.985 ( 2.034 0.000 -6.912) 7.205 8.040 ( 3.675 0.000 -7.427) 8.287 8.450 ( -11.794 0.000 8.809) 14.720 8.526 ( -9.402 -0.000 8.865) 12.922 8.728 ( -7.747 0.000 2.338) 8.092 8.795 ( -8.259 0.000 1.642) 8.420 12.976 ( 5.178 0.000 -3.021) 5.995 12.993 ( 5.363 -0.000 -3.513) 6.411 13.058 ( 6.921 0.000 -5.874) 9.077 13.125 ( 5.941 0.000 -6.395) 8.729 14.168 ( 7.863 0.000 0.680) 7.892 14.219 ( 7.896 0.000 1.547) 8.046 14.329 ( 3.826 -0.000 -1.501) 4.110 14.403 ( 3.486 0.000 -4.133) 5.407 15.101 ( -2.897 0.000 5.083) 5.851 15.177 ( -1.408 -0.000 3.094) 3.399 15.370 ( -9.772 0.000 -1.941) 9.963 15.427 ( -6.994 -0.000 -3.377) 7.767 15.772 ( 5.565 -0.000 4.190) 6.966 15.815 ( 4.848 0.000 5.880) 7.621 16.227 ( 1.489 0.000 -2.831) 3.199 16.250 ( 0.721 0.000 -1.058) 1.280 16.310 ( 3.294 0.000 7.790) 8.458 16.357 ( 2.827 0.000 8.297) 8.765 16.670 ( 0.855 0.000 -2.194) 2.355 16.700 ( -4.452 0.000 1.966) 4.866 16.772 ( -6.566 0.000 5.777) 8.746 16.901 ( -0.537 0.000 1.860) 1.936 17.038 ( -1.328 -0.000 3.761) 3.989 17.130 ( -2.283 0.000 2.122) 3.117 17.281 ( -5.232 -0.000 2.930) 5.996 17.329 ( -1.742 0.000 3.429) 3.846 17.397 ( 0.348 0.000 -0.650) 0.737 17.441 ( 0.313 0.000 -0.309) 0.440 17.520 ( -0.840 0.000 4.331) 4.412 17.565 ( -2.787 -0.000 3.013) 4.104 17.820 ( -3.733 0.000 -5.514) 6.659 17.895 ( -3.936 -0.000 -6.807) 7.863 19.176 ( 0.160 -0.000 3.446) 3.450 19.181 ( 0.111 0.000 3.261) 3.263 19.382 ( 0.142 -0.000 -3.233) 3.237 19.383 ( 0.124 0.000 -3.274) 3.276 ======================= Grid point 272 (96/120) ======================= q-point: ( 0.43 -0.50 0.33) 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| 4.294 ( 12.545 0.000 7.990) 14.873 4.411 ( 9.302 -0.000 5.891) 11.010 4.578 ( -14.263 -0.000 4.064) 14.831 4.611 ( -8.156 0.000 5.471) 9.821 4.955 ( 12.943 -0.000 13.551) 18.740 5.052 ( 4.446 0.000 9.028) 10.063 5.387 ( -5.762 0.000 3.246) 6.614 5.444 ( -8.858 -0.000 2.705) 9.261 6.010 ( 1.942 0.000 -11.709) 11.869 6.030 ( 0.069 -0.000 -9.895) 9.895 6.153 ( 1.808 0.000 -7.801) 8.008 6.187 ( -1.640 0.000 -6.001) 6.221 6.409 ( 1.910 0.000 -20.617) 20.705 6.437 ( -1.314 0.000 -18.213) 18.260 6.452 ( 1.710 0.000 -20.091) 20.164 6.478 ( -0.379 0.000 -18.294) 18.298 7.600 ( 15.141 -0.000 11.158) 18.808 7.664 ( 13.410 0.000 9.859) 16.644 7.926 ( -9.129 -0.000 3.279) 9.700 7.929 ( -14.247 0.000 6.087) 15.493 8.405 ( 7.269 -0.000 -0.340) 7.277 8.437 ( 2.051 0.000 2.548) 3.271 8.561 ( -8.472 0.000 0.530) 8.488 8.601 ( -10.704 -0.000 -0.548) 10.718 13.060 ( 2.745 -0.000 -2.820) 3.935 13.070 ( 1.853 0.000 -2.966) 3.497 13.172 ( 4.024 -0.000 -5.251) 6.615 13.201 ( 1.301 0.000 -5.527) 5.678 14.311 ( 4.961 0.000 -1.001) 5.061 14.330 ( 2.720 0.000 -0.382) 2.746 14.443 ( 5.637 0.000 -2.406) 6.129 14.473 ( 2.473 0.000 -3.475) 4.265 15.060 ( 0.414 0.000 3.500) 3.524 15.154 ( -4.564 0.000 1.836) 4.919 15.178 ( -3.229 0.000 -0.265) 3.240 15.270 ( -7.857 -0.000 -1.620) 8.023 15.868 ( 3.352 0.000 4.944) 5.973 15.885 ( 1.687 0.000 5.842) 6.080 16.242 ( 0.271 0.000 1.330) 1.358 16.246 ( -0.290 -0.000 2.167) 2.186 16.421 ( 6.713 0.000 7.378) 9.975 16.448 ( 5.721 0.000 8.527) 10.268 16.586 ( -6.272 0.000 2.087) 6.610 16.618 ( -7.746 0.000 4.547) 8.981 16.744 ( 5.711 -0.000 -2.631) 6.288 16.860 ( -4.429 0.000 -0.774) 4.496 17.027 ( 0.792 0.000 -0.713) 1.065 17.074 ( -3.153 0.000 -0.357) 3.173 17.229 ( 0.725 0.000 6.001) 6.045 17.279 ( -3.155 0.000 5.130) 6.023 17.408 ( 1.045 0.000 -2.362) 2.582 17.438 ( -1.228 -0.000 -3.327) 3.546 17.508 ( -0.419 0.000 4.512) 4.531 17.511 ( -1.443 -0.000 4.789) 5.002 17.784 ( 0.187 0.000 -4.473) 4.477 17.820 ( -3.183 -0.000 -5.417) 6.283 19.179 ( 0.167 0.000 3.386) 3.390 19.181 ( -0.038 -0.000 3.304) 3.304 19.385 ( 0.087 -0.000 -3.209) 3.210 19.385 ( 0.031 0.000 -3.226) 3.226 ======================= Grid point 308 (97/120) ======================= q-point: ( 0.00 0.00 0.44) 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| 2.925 ( 0.000 0.000 35.893) 35.893 3.448 ( 0.000 0.000 35.230) 35.230 3.662 ( 0.000 0.000 -34.654) 34.654 4.108 ( 0.000 0.000 -26.746) 26.746 5.460 ( 0.000 0.000 9.391) 9.391 5.521 ( 0.000 0.000 -2.214) 2.214 5.558 ( 0.000 0.000 17.880) 17.880 5.599 ( 0.000 0.000 39.969) 39.969 5.666 ( 0.000 0.000 12.547) 12.547 5.925 ( 0.000 0.000 -0.894) 0.894 6.122 ( 0.000 0.000 -15.815) 15.815 6.424 ( 0.000 0.000 -19.618) 19.618 6.752 ( 0.000 0.000 -12.517) 12.517 6.788 ( 0.000 0.000 -0.958) 0.958 6.876 ( 0.000 0.000 -13.038) 13.038 6.918 ( 0.000 0.000 -11.921) 11.921 7.255 ( 0.000 0.000 16.276) 16.276 7.607 ( 0.000 0.000 -15.972) 15.972 8.049 ( 0.000 0.000 6.595) 6.595 8.174 ( 0.000 0.000 -5.261) 5.261 8.606 ( 0.000 0.000 6.834) 6.834 8.613 ( 0.000 0.000 3.946) 3.946 8.729 ( 0.000 0.000 -1.329) 1.329 8.827 ( 0.000 0.000 -8.863) 8.863 12.921 ( 0.000 0.000 3.483) 3.483 12.982 ( 0.000 0.000 -1.651) 1.651 13.520 ( 0.000 0.000 6.476) 6.476 13.577 ( 0.000 0.000 1.914) 1.914 14.106 ( 0.000 0.000 7.196) 7.196 14.202 ( 0.000 0.000 -1.154) 1.154 14.282 ( 0.000 0.000 10.134) 10.134 14.474 ( 0.000 0.000 -7.939) 7.939 15.275 ( 0.000 0.000 9.763) 9.763 15.404 ( 0.000 0.000 -4.308) 4.308 15.560 ( 0.000 0.000 5.726) 5.726 15.709 ( 0.000 0.000 11.354) 11.354 15.764 ( 0.000 0.000 -12.447) 12.447 15.825 ( 0.000 0.000 13.384) 13.384 15.944 ( 0.000 0.000 -10.370) 10.370 16.077 ( 0.000 0.000 -8.489) 8.489 16.294 ( 0.000 0.000 0.869) 0.869 16.345 ( 0.000 0.000 -3.437) 3.437 16.351 ( 0.000 0.000 3.040) 3.040 16.498 ( 0.000 0.000 -8.353) 8.353 16.698 ( 0.000 0.000 0.831) 0.831 16.720 ( 0.000 0.000 -1.230) 1.230 16.810 ( 0.000 0.000 0.774) 0.774 16.825 ( 0.000 0.000 -0.463) 0.463 17.021 ( 0.000 0.000 5.598) 5.598 17.167 ( 0.000 0.000 10.760) 10.760 17.168 ( 0.000 0.000 -7.891) 7.891 17.426 ( 0.000 0.000 -13.323) 13.323 17.729 ( 0.000 0.000 9.849) 9.849 17.889 ( 0.000 0.000 -5.085) 5.085 18.037 ( 0.000 0.000 1.597) 1.597 18.054 ( 0.000 0.000 -0.171) 0.171 19.141 ( 0.000 0.000 0.659) 0.659 19.187 ( 0.000 0.000 -3.753) 3.753 19.222 ( 0.000 0.000 -0.721) 0.721 19.235 ( 0.000 0.000 -2.025) 2.025 ======================= Grid point 309 (98/120) ======================= q-point: ( 0.14 0.00 0.44) 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| 3.115 ( 17.935 0.000 32.611) 37.218 3.495 ( 5.541 0.000 30.119) 30.625 3.829 ( 15.264 0.000 -27.811) 31.725 4.177 ( 7.005 0.000 -26.385) 27.299 5.268 ( -14.303 0.000 11.580) 18.403 5.422 ( -8.879 0.000 -0.694) 8.906 5.498 ( -18.416 0.000 14.700) 23.563 5.560 ( 0.212 0.000 37.097) 37.097 5.721 ( 4.886 0.000 6.849) 8.413 5.878 ( -0.217 0.000 -5.707) 5.711 5.975 ( -10.368 0.000 -7.564) 12.834 6.378 ( -4.730 0.000 -12.992) 13.826 6.710 ( -7.550 0.000 -10.280) 12.755 6.791 ( 5.270 0.000 -24.597) 25.155 6.930 ( 11.223 0.000 5.484) 12.491 7.127 ( 11.710 0.000 -11.145) 16.166 7.432 ( 15.398 0.000 16.015) 22.217 7.737 ( 9.074 0.000 -10.326) 13.746 7.987 ( -3.668 0.000 2.691) 4.549 8.106 ( -6.416 0.000 -6.073) 8.835 8.566 ( -4.736 0.000 2.809) 5.506 8.571 ( -3.767 0.000 5.568) 6.722 8.664 ( -6.257 0.000 0.623) 6.288 8.799 ( -2.841 0.000 -9.181) 9.611 12.981 ( 5.874 0.000 3.693) 6.938 13.039 ( 5.554 0.000 -1.267) 5.697 13.540 ( 1.450 0.000 5.644) 5.827 13.582 ( 0.163 0.000 2.464) 2.469 14.160 ( 5.604 0.000 4.916) 7.454 14.211 ( 2.072 0.000 0.855) 2.241 14.384 ( 9.295 0.000 8.936) 12.894 14.550 ( 7.499 0.000 -6.492) 9.919 15.209 ( -6.606 0.000 9.982) 11.970 15.355 ( -5.227 0.000 -5.048) 7.266 15.576 ( 1.061 0.000 5.134) 5.242 15.637 ( -4.546 0.000 5.783) 7.356 15.822 ( -0.311 0.000 12.220) 12.224 15.832 ( 3.962 0.000 -6.095) 7.269 15.937 ( -0.792 0.000 -9.257) 9.290 16.053 ( -2.274 0.000 -7.529) 7.865 16.293 ( 0.045 0.000 0.372) 0.375 16.326 ( -1.004 0.000 -2.069) 2.300 16.368 ( 1.030 0.000 1.083) 1.494 16.495 ( -0.120 0.000 -8.289) 8.290 16.695 ( -0.270 0.000 0.752) 0.799 16.715 ( -0.424 0.000 -1.157) 1.233 16.801 ( -1.085 0.000 0.397) 1.155 16.812 ( -1.510 0.000 -0.234) 1.528 17.026 ( 0.836 0.000 5.146) 5.214 17.150 ( -0.613 0.000 -2.117) 2.205 17.185 ( 0.867 0.000 5.113) 5.186 17.427 ( 0.008 0.000 -13.151) 13.151 17.705 ( -2.257 0.000 9.640) 9.901 17.856 ( -3.081 0.000 -4.412) 5.382 17.999 ( -3.781 0.000 1.876) 4.221 18.023 ( -2.991 0.000 -0.709) 3.074 19.145 ( 0.462 0.000 0.452) 0.646 19.187 ( -0.002 0.000 -3.488) 3.488 19.220 ( -0.250 0.000 -0.799) 0.837 19.231 ( -0.396 0.000 -1.947) 1.987 ======================= Grid point 310 (99/120) ======================= q-point: ( 0.29 0.00 0.44) 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| 3.559 ( 25.025 0.000 25.985) 36.076 3.679 ( 13.024 0.000 28.039) 30.916 4.196 ( 19.927 0.000 -20.603) 28.663 4.382 ( 13.483 0.000 -24.815) 28.242 4.938 ( -18.995 0.000 16.446) 25.125 5.020 ( -25.107 0.000 19.002) 31.487 5.244 ( -10.758 0.000 -10.374) 14.945 5.405 ( -16.402 0.000 -7.257) 17.936 5.768 ( 4.203 0.000 9.534) 10.419 5.908 ( 2.628 0.000 -3.629) 4.480 5.930 ( 2.721 0.000 18.365) 18.566 6.257 ( -7.045 0.000 -9.170) 11.564 6.625 ( -0.056 0.000 -2.536) 2.537 6.936 ( 8.998 0.000 -26.404) 27.895 7.179 ( 12.246 0.000 5.780) 13.542 7.272 ( -1.536 0.000 0.378) 1.581 7.758 ( 14.909 0.000 11.306) 18.711 7.774 ( 1.224 0.000 1.231) 1.736 7.962 ( -5.487 0.000 -5.195) 7.556 8.109 ( 12.905 0.000 -13.210) 18.468 8.428 ( -9.151 0.000 0.003) 9.151 8.430 ( -11.130 0.000 -0.281) 11.133 8.516 ( -7.754 0.000 8.416) 11.443 8.714 ( -5.815 0.000 -9.898) 11.480 13.140 ( 9.604 0.000 3.753) 10.311 13.185 ( 8.617 0.000 -0.096) 8.617 13.548 ( -1.222 0.000 4.181) 4.356 13.566 ( -2.126 0.000 3.041) 3.711 14.302 ( 7.130 0.000 3.443) 7.917 14.332 ( 11.621 0.000 0.282) 11.625 14.630 ( 14.914 0.000 8.374) 17.104 14.757 ( 12.914 0.000 -3.296) 13.328 15.028 ( -10.951 0.000 9.770) 14.675 15.190 ( -11.345 0.000 -6.043) 12.854 15.529 ( -7.273 0.000 6.907) 10.030 15.548 ( -5.699 0.000 5.079) 7.633 15.826 ( 1.352 0.000 6.527) 6.666 15.895 ( 2.369 0.000 -5.526) 6.013 15.918 ( -0.906 0.000 -4.820) 4.905 16.003 ( -2.329 0.000 -6.827) 7.214 16.307 ( 1.711 0.000 -0.709) 1.852 16.315 ( 0.194 0.000 -1.286) 1.301 16.392 ( 1.111 0.000 0.131) 1.119 16.494 ( -0.335 0.000 -7.750) 7.757 16.689 ( -0.225 0.000 0.435) 0.490 16.705 ( -0.509 0.000 -1.085) 1.198 16.762 ( -2.716 0.000 -0.237) 2.727 16.764 ( -3.072 0.000 0.143) 3.075 17.072 ( 4.083 0.000 3.066) 5.106 17.149 ( 0.599 0.000 -3.302) 3.356 17.201 ( 0.611 0.000 7.052) 7.078 17.413 ( -1.957 0.000 -11.805) 11.966 17.660 ( -1.582 0.000 8.659) 8.802 17.789 ( -2.870 0.000 -3.108) 4.230 17.895 ( -6.367 0.000 2.731) 6.928 17.943 ( -4.910 0.000 -2.044) 5.319 19.159 ( 0.881 0.000 -0.071) 0.884 19.188 ( 0.170 0.000 -2.842) 2.847 19.213 ( -0.438 0.000 -1.040) 1.129 19.219 ( -0.775 0.000 -1.704) 1.872 ======================= Grid point 311 (100/120) ======================= q-point: ( 0.43 0.00 0.44) 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| 4.002 ( 19.209 0.000 26.608) 32.817 4.055 ( 24.589 0.000 20.360) 31.924 4.387 ( -13.757 0.000 17.937) 22.605 4.523 ( -22.632 0.000 18.325) 29.121 4.692 ( 17.288 0.000 -22.231) 28.162 4.727 ( 8.396 0.000 -13.682) 16.053 5.003 ( -13.861 0.000 -15.591) 20.861 5.048 ( -18.401 0.000 -19.053) 26.488 5.875 ( 5.336 0.000 10.058) 11.386 5.949 ( -1.566 0.000 12.239) 12.338 5.985 ( 5.269 0.000 -3.271) 6.202 6.112 ( -7.280 0.000 -5.859) 9.345 6.742 ( 11.879 0.000 10.306) 15.727 7.047 ( -16.768 0.000 13.519) 21.539 7.134 ( 10.494 0.000 -20.182) 22.747 7.296 ( -2.935 0.000 -6.991) 7.583 7.897 ( 7.995 0.000 -3.069) 8.564 7.943 ( 12.926 0.000 -5.666) 14.113 8.085 ( 6.502 0.000 9.781) 11.745 8.178 ( -8.221 0.000 2.046) 8.471 8.203 ( -12.192 0.000 -3.920) 12.806 8.345 ( -10.001 0.000 10.614) 14.584 8.368 ( 11.291 0.000 -11.709) 16.266 8.569 ( -8.793 0.000 -10.773) 13.906 13.332 ( 9.164 0.000 3.372) 9.765 13.356 ( 8.140 0.000 1.454) 8.269 13.481 ( -5.566 0.000 3.325) 6.483 13.492 ( -5.377 0.000 2.643) 5.991 14.489 ( 11.598 0.000 6.951) 13.521 14.604 ( 15.335 0.000 -3.967) 15.840 14.735 ( -11.520 0.000 9.555) 14.967 14.908 ( -13.739 0.000 -6.970) 15.406 15.009 ( 16.004 0.000 5.969) 17.081 15.052 ( 13.483 0.000 2.097) 13.645 15.329 ( -12.737 0.000 5.291) 13.793 15.335 ( -14.905 0.000 5.000) 15.721 15.869 ( 2.259 0.000 1.888) 2.944 15.901 ( -1.002 0.000 -0.696) 1.220 15.933 ( 1.712 0.000 -4.742) 5.041 15.966 ( -1.609 0.000 -6.004) 6.216 16.342 ( 2.494 0.000 -0.466) 2.537 16.369 ( 4.476 0.000 -2.553) 5.153 16.391 ( -1.593 0.000 -0.186) 1.604 16.459 ( -3.604 0.000 -5.541) 6.610 16.690 ( 0.370 0.000 -0.161) 0.403 16.698 ( -0.046 0.000 -0.947) 0.948 16.711 ( -1.962 0.000 -0.572) 2.043 16.712 ( -1.663 0.000 -0.497) 1.736 17.172 ( 1.581 0.000 0.260) 1.602 17.187 ( 7.197 0.000 -1.220) 7.300 17.200 ( -0.885 0.000 4.815) 4.895 17.330 ( -6.408 0.000 -7.033) 9.514 17.668 ( 2.806 0.000 6.568) 7.143 17.764 ( -6.357 0.000 4.290) 7.669 17.775 ( 1.685 0.000 -3.351) 3.751 17.843 ( -4.713 0.000 -3.323) 5.767 19.179 ( 1.113 0.000 -0.708) 1.319 19.194 ( 0.403 0.000 -2.102) 2.140 19.201 ( -1.058 0.000 -1.284) 1.664 19.203 ( -0.507 0.000 -1.473) 1.558 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.10 0.44) 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| 3.029 ( 0.000 10.531 35.046) 36.594 3.447 ( 0.000 0.548 37.328) 37.332 3.751 ( 0.000 8.940 -33.970) 35.127 4.148 ( 0.000 4.136 -29.058) 29.350 5.434 ( 0.000 -8.844 19.448) 21.364 5.465 ( 0.000 0.306 3.941) 3.953 5.507 ( 0.000 -1.138 1.389) 1.796 5.693 ( 0.000 -2.319 0.076) 2.321 5.713 ( 0.000 10.921 38.243) 39.772 5.923 ( 0.000 1.548 5.621) 5.830 6.132 ( 0.000 0.495 -11.978) 11.988 6.401 ( 0.000 -3.241 -10.963) 11.432 6.727 ( 0.000 -3.504 -12.631) 13.108 6.761 ( 0.000 -2.843 -0.755) 2.941 6.826 ( 0.000 -3.896 -15.433) 15.917 6.904 ( 0.000 -1.795 -12.780) 12.906 7.105 ( 0.000 -12.172 12.430) 17.398 7.425 ( 0.000 -14.235 -16.577) 21.851 8.201 ( 0.000 13.491 9.012) 16.224 8.362 ( 0.000 14.502 -6.540) 15.909 8.524 ( 0.000 -7.814 8.117) 11.267 8.630 ( 0.000 -0.226 1.673) 1.688 8.736 ( 0.000 -0.817 -3.479) 3.574 8.757 ( 0.000 -3.890 -5.060) 6.383 12.885 ( 0.000 -3.473 2.831) 4.480 12.941 ( 0.000 -3.962 -1.940) 4.412 13.466 ( 0.000 -5.396 5.293) 7.559 13.513 ( 0.000 -6.376 1.537) 6.559 14.090 ( 0.000 -1.543 7.738) 7.890 14.202 ( 0.000 -0.043 -2.235) 2.235 14.270 ( 0.000 -1.135 10.070) 10.133 14.461 ( 0.000 -1.478 -7.842) 7.980 15.223 ( 0.000 -3.550 8.042) 8.791 15.370 ( 0.000 -3.471 -6.150) 7.062 15.627 ( 0.000 5.880 8.553) 10.379 15.695 ( 0.000 -1.535 11.254) 11.358 15.832 ( 0.000 5.655 -10.558) 11.977 15.845 ( 0.000 1.368 11.270) 11.353 15.923 ( 0.000 -1.688 -8.743) 8.904 16.067 ( 0.000 -0.877 -7.025) 7.080 16.289 ( 0.000 -0.025 1.144) 1.144 16.352 ( 0.000 0.841 -4.209) 4.293 16.371 ( 0.000 2.087 3.171) 3.796 16.516 ( 0.000 1.646 -8.213) 8.376 16.733 ( 0.000 3.517 1.378) 3.777 16.761 ( 0.000 3.993 -1.149) 4.155 16.804 ( 0.000 -0.358 1.320) 1.368 16.837 ( 0.000 1.590 -1.745) 2.361 17.064 ( 0.000 4.320 5.909) 7.320 17.205 ( 0.000 3.444 9.161) 9.787 17.216 ( 0.000 4.641 -7.989) 9.239 17.422 ( 0.000 -0.411 -11.044) 11.052 17.717 ( 0.000 -1.263 9.480) 9.564 17.871 ( 0.000 -1.857 -4.915) 5.254 18.013 ( 0.000 -2.017 2.718) 3.385 18.056 ( 0.000 -0.200 -1.705) 1.717 19.145 ( 0.000 0.503 1.249) 1.347 19.200 ( 0.000 1.297 -3.991) 4.196 19.225 ( 0.000 0.337 -0.402) 0.525 19.243 ( 0.000 0.797 -2.130) 2.274 ======================= Grid point 316 (102/120) ======================= q-point: ( 0.14 0.10 0.44) 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| 3.208 ( 16.870 9.402 32.041) 37.412 3.500 ( 5.887 1.043 33.561) 34.089 3.904 ( 14.281 7.729 -28.817) 33.078 4.215 ( 6.727 3.870 -28.506) 29.544 5.229 ( -14.437 -4.211 16.021) 21.973 5.393 ( -9.350 -2.623 3.611) 10.361 5.462 ( -9.701 -1.211 5.978) 11.459 5.649 ( -8.426 4.721 21.519) 23.587 5.728 ( 2.507 -0.166 0.483) 2.558 5.875 ( 1.004 3.137 6.833) 7.585 6.012 ( -7.467 2.617 -2.713) 8.365 6.356 ( -4.504 -2.692 -8.820) 10.263 6.685 ( -5.936 -2.817 -9.498) 11.549 6.802 ( 5.905 0.302 -20.678) 21.507 6.884 ( 10.047 -4.085 1.587) 10.961 7.073 ( 10.462 -5.523 -10.683) 15.940 7.255 ( 12.881 -13.836 11.976) 22.379 7.541 ( 9.223 -15.229 -14.241) 22.800 8.118 ( -7.542 11.977 9.806) 17.219 8.308 ( -4.913 13.161 -7.850) 16.092 8.504 ( -2.143 -5.912 7.267) 9.610 8.596 ( -3.399 1.117 1.061) 3.732 8.683 ( -5.338 2.131 -1.365) 5.908 8.732 ( -2.374 -5.438 -6.752) 8.989 12.946 ( 5.995 -3.347 2.990) 7.489 12.999 ( 5.606 -3.896 -1.526) 6.996 13.489 ( 1.781 -5.080 4.516) 7.027 13.522 ( 0.512 -5.998 2.121) 6.383 14.139 ( 5.199 -1.947 5.703) 7.959 14.212 ( 2.113 0.067 -0.430) 2.157 14.366 ( 8.714 -1.796 8.977) 12.639 14.534 ( 7.206 -1.790 -6.619) 9.947 15.171 ( -5.349 -2.639 8.391) 10.294 15.324 ( -4.991 -2.988 -6.393) 8.643 15.615 ( -2.405 2.298 8.019) 8.681 15.648 ( -2.651 1.279 7.167) 7.748 15.837 ( 0.039 1.587 8.571) 8.717 15.895 ( 3.908 5.074 -5.432) 8.397 15.931 ( 0.726 -0.119 -7.203) 7.241 16.049 ( -1.682 -0.352 -6.172) 6.407 16.276 ( -1.086 -0.849 1.122) 1.777 16.331 ( -1.234 0.366 -3.329) 3.569 16.388 ( 1.145 2.079 1.258) 2.686 16.512 ( -0.260 1.531 -8.158) 8.304 16.728 ( -0.402 3.325 1.078) 3.519 16.747 ( -0.997 3.054 -0.428) 3.241 16.806 ( -0.255 0.795 0.827) 1.176 16.830 ( -0.930 2.163 -1.209) 2.647 17.066 ( 0.494 3.942 5.030) 6.410 17.191 ( -1.082 3.859 -0.859) 4.099 17.218 ( 0.201 3.197 2.464) 4.041 17.423 ( -0.058 -0.422 -10.934) 10.943 17.695 ( -1.998 -1.011 9.166) 9.436 17.841 ( -2.878 -1.636 -4.292) 5.420 17.980 ( -3.360 -1.812 2.468) 4.545 18.020 ( -3.486 -0.484 -1.693) 3.905 19.149 ( 0.439 0.489 1.078) 1.262 19.200 ( -0.044 1.227 -3.553) 3.759 19.223 ( -0.197 0.434 -0.620) 0.782 19.240 ( -0.292 0.878 -2.124) 2.317 ======================= Grid point 317 (103/120) ======================= q-point: ( 0.29 0.10 0.44) 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| 3.615 ( 21.087 4.897 28.255) 35.595 3.700 ( 15.708 3.379 27.681) 32.006 4.250 ( 18.607 5.496 -20.884) 28.505 4.410 ( 12.757 2.914 -26.281) 29.358 4.889 ( -19.332 -3.812 20.191) 28.213 5.060 ( -21.967 3.234 14.614) 26.581 5.238 ( -10.500 -0.656 -10.511) 14.871 5.394 ( -16.953 -1.430 -12.079) 20.866 5.799 ( 4.855 3.065 7.913) 9.776 5.901 ( 1.802 -0.744 -2.440) 3.123 5.986 ( 1.968 5.421 17.731) 18.646 6.241 ( -6.782 -1.770 -7.723) 10.429 6.630 ( 1.583 0.553 -0.656) 1.800 6.949 ( 8.593 0.238 -20.781) 22.489 7.116 ( 11.695 -5.998 3.269) 13.544 7.218 ( 1.040 -6.000 -0.498) 6.110 7.524 ( 13.171 -14.933 5.442) 20.642 7.695 ( 5.394 -13.073 -9.238) 16.892 7.971 ( -5.146 3.699 8.376) 10.504 8.199 ( -5.734 5.279 -11.227) 13.667 8.437 ( -4.394 -0.841 5.628) 7.190 8.502 ( -5.338 5.677 -0.364) 7.801 8.553 ( -6.745 4.939 1.297) 8.460 8.664 ( -4.413 -4.400 -8.103) 10.222 13.107 ( 9.693 -3.146 2.966) 10.614 13.146 ( 8.638 -3.795 -0.299) 9.440 13.506 ( -0.794 -4.286 3.140) 5.372 13.514 ( -1.697 -5.127 2.837) 6.100 14.290 ( 8.264 -1.538 2.789) 8.856 14.313 ( 9.839 -1.405 0.677) 9.962 14.596 ( 13.746 -3.400 8.429) 16.479 14.729 ( 11.580 -3.181 -3.789) 12.592 15.021 ( -8.702 -0.087 7.969) 11.800 15.167 ( -10.652 -1.875 -5.918) 12.329 15.505 ( -8.266 -1.636 8.336) 11.853 15.576 ( -7.067 1.277 3.242) 7.880 15.862 ( 2.912 3.553 6.115) 7.648 15.932 ( 0.417 1.932 -1.974) 2.793 15.964 ( 1.319 5.655 -4.726) 7.487 16.019 ( -0.617 1.939 -6.435) 6.749 16.268 ( 0.954 -2.398 0.863) 2.721 16.320 ( 0.551 -0.387 -3.424) 3.489 16.413 ( 0.997 1.899 -0.053) 2.146 16.506 ( -0.679 1.288 -7.478) 7.618 16.719 ( -0.543 2.551 0.685) 2.696 16.730 ( -0.639 2.828 -0.339) 2.919 16.781 ( -2.359 1.975 0.739) 3.164 16.793 ( -2.525 2.941 -0.550) 3.915 17.102 ( 3.489 3.008 2.466) 5.225 17.174 ( -0.285 2.385 -2.778) 3.673 17.222 ( 0.021 1.997 5.974) 6.299 17.409 ( -1.804 -0.322 -10.003) 10.169 17.657 ( -1.247 -0.364 7.917) 8.023 17.777 ( -2.769 -1.226 -2.903) 4.195 17.885 ( -5.921 -1.050 2.356) 6.459 17.930 ( -5.277 -1.267 -2.090) 5.815 19.162 ( 0.812 0.433 0.659) 1.132 19.199 ( 0.005 0.958 -2.317) 2.508 19.217 ( -0.349 0.735 -1.308) 1.540 19.232 ( -0.523 1.105 -2.140) 2.465 ======================= Grid point 318 (104/120) ======================= q-point: ( 0.43 0.10 0.44) 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| 3.980 ( 18.887 -0.668 29.490) 35.026 4.127 ( 23.343 6.146 18.304) 30.294 4.368 ( -16.239 -1.066 22.329) 27.630 4.580 ( -19.620 5.128 12.688) 23.921 4.700 ( 16.377 1.266 -20.431) 26.215 4.754 ( 8.552 2.504 -15.555) 17.927 5.011 ( -13.012 0.777 -15.090) 19.940 5.045 ( -17.485 -0.151 -19.829) 26.438 5.903 ( 5.123 2.414 6.386) 8.535 5.966 ( 3.062 -0.465 1.416) 3.405 5.991 ( -0.262 2.584 5.177) 5.792 6.099 ( -7.132 -1.242 -5.086) 8.847 6.773 ( 12.423 3.027 11.537) 17.222 7.060 ( -13.946 0.619 11.797) 18.277 7.130 ( 8.615 -1.532 -14.732) 17.134 7.248 ( -0.643 -5.445 -4.347) 6.997 7.765 ( 10.808 -15.098 0.906) 18.590 7.811 ( 8.148 -7.984 -5.205) 12.539 7.920 ( -2.412 -11.062 2.352) 11.563 8.040 ( -11.016 -5.768 -8.306) 14.954 8.369 ( -1.030 6.931 4.770) 8.476 8.415 ( -4.507 6.610 3.946) 8.921 8.480 ( 1.651 6.654 -5.830) 9.000 8.564 ( -5.343 -0.605 -8.399) 9.973 13.300 ( 9.066 -3.208 2.557) 9.951 13.316 ( 8.035 -3.846 1.280) 9.000 13.444 ( -5.281 -3.985 2.631) 7.120 13.449 ( -5.086 -3.905 2.227) 6.788 14.475 ( 10.970 -1.420 6.109) 12.636 14.568 ( 13.927 -3.486 -2.113) 14.512 14.707 ( -8.523 -2.842 6.985) 11.381 14.846 ( -7.450 -6.258 -4.804) 10.851 15.007 ( 8.645 0.693 4.895) 9.959 15.066 ( 13.174 0.842 0.364) 13.206 15.284 ( -13.875 -2.554 7.522) 15.988 15.358 ( -14.123 0.305 1.346) 14.190 15.924 ( 2.155 5.178 2.351) 6.082 15.939 ( 0.177 3.839 0.552) 3.883 15.976 ( 1.063 3.379 -2.282) 4.214 16.007 ( -1.315 4.232 -5.293) 6.903 16.326 ( 4.409 -1.173 -0.301) 4.572 16.366 ( 3.819 -0.070 -3.259) 5.021 16.405 ( -2.051 1.001 -1.012) 2.497 16.462 ( -4.141 0.589 -5.255) 6.717 16.714 ( 0.377 1.838 0.268) 1.895 16.723 ( 0.011 2.783 -0.707) 2.872 16.736 ( -1.615 2.643 0.014) 3.097 16.744 ( -2.065 3.039 -0.856) 3.773 17.184 ( 1.368 1.146 0.687) 1.913 17.197 ( 3.349 1.144 2.395) 4.273 17.220 ( 1.862 1.780 1.022) 2.771 17.334 ( -5.687 0.534 -6.440) 8.608 17.668 ( 2.694 -0.070 5.845) 6.437 17.752 ( -2.779 -1.143 1.376) 3.305 17.771 ( -1.815 -0.490 -0.716) 2.012 17.828 ( -4.611 -1.552 -2.979) 5.705 19.180 ( 0.936 0.314 0.216) 1.011 19.196 ( -0.541 0.295 -0.315) 0.692 19.214 ( 0.132 1.404 -2.589) 2.948 19.221 ( -0.532 1.373 -2.335) 2.761 ======================= Grid point 322 (105/120) ======================= q-point: ( 0.00 0.20 0.44) 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| 3.317 ( 0.000 18.726 32.830) 37.795 3.506 ( 0.000 6.481 39.626) 40.153 3.994 ( 0.000 15.669 -31.775) 35.429 4.270 ( 0.000 8.588 -32.834) 33.939 5.265 ( 0.000 -8.077 17.926) 19.661 5.445 ( 0.000 -3.320 4.211) 5.362 5.497 ( 0.000 0.851 -0.540) 1.008 5.560 ( 0.000 -9.978 -8.292) 12.974 5.974 ( 0.000 13.847 28.256) 31.466 5.986 ( 0.000 3.773 8.059) 8.898 6.128 ( 0.000 -0.965 -6.219) 6.294 6.271 ( 0.000 -10.050 0.263) 10.053 6.563 ( 0.000 -11.739 -0.543) 11.751 6.672 ( 0.000 -6.614 -1.057) 6.698 6.774 ( 0.000 -4.083 -17.691) 18.156 6.829 ( 0.000 -6.523 -14.107) 15.542 6.880 ( 0.000 -9.853 6.241) 11.663 7.203 ( 0.000 -5.258 -22.409) 23.017 8.319 ( 0.000 -12.458 7.404) 14.492 8.470 ( 0.000 -14.590 -6.849) 16.118 8.482 ( 0.000 14.204 9.287) 16.970 8.638 ( 0.000 13.052 -5.757) 14.265 8.732 ( 0.000 3.470 3.827) 5.166 8.794 ( 0.000 3.271 -1.647) 3.663 12.804 ( 0.000 -4.392 1.235) 4.562 12.847 ( 0.000 -5.262 -2.388) 5.779 13.321 ( 0.000 -9.263 2.574) 9.614 13.345 ( 0.000 -10.439 0.617) 10.457 14.058 ( 0.000 -1.464 8.758) 8.879 14.203 ( 0.000 0.191 -4.570) 4.574 14.241 ( 0.000 -1.849 9.033) 9.221 14.413 ( 0.000 -3.427 -7.236) 8.007 15.176 ( 0.000 -1.068 5.713) 5.812 15.300 ( 0.000 -3.156 -5.621) 6.446 15.640 ( 0.000 -4.317 10.652) 11.493 15.735 ( 0.000 4.390 10.001) 10.922 15.820 ( 0.000 -4.088 -2.995) 5.068 15.922 ( 0.000 1.070 4.649) 4.771 15.936 ( 0.000 4.305 -8.402) 9.440 16.053 ( 0.000 -0.269 -4.546) 4.554 16.309 ( 0.000 2.151 2.111) 3.014 16.396 ( 0.000 4.121 -5.505) 6.877 16.427 ( 0.000 3.432 2.789) 4.422 16.546 ( 0.000 1.147 -7.545) 7.632 16.818 ( 0.000 2.458 3.422) 4.213 16.825 ( 0.000 5.599 2.610) 6.178 16.860 ( 0.000 5.935 -0.528) 5.959 16.900 ( 0.000 5.079 -4.282) 6.643 17.178 ( 0.000 7.064 6.131) 9.353 17.276 ( 0.000 3.385 6.130) 7.002 17.333 ( 0.000 7.079 -8.118) 10.770 17.408 ( 0.000 -1.111 -6.099) 6.199 17.681 ( 0.000 -2.431 8.431) 8.775 17.818 ( 0.000 -3.568 -4.387) 5.655 17.964 ( 0.000 -3.052 3.979) 5.015 18.041 ( 0.000 -1.408 -3.814) 4.065 19.161 ( 0.000 1.169 2.422) 2.689 19.232 ( 0.000 1.883 -4.293) 4.688 19.235 ( 0.000 0.697 0.277) 0.750 19.263 ( 0.000 1.142 -2.216) 2.493 ======================= Grid point 323 (106/120) ======================= q-point: ( 0.14 0.20 0.44) 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| 3.463 ( 13.054 15.911 31.551) 37.670 3.571 ( 7.369 7.648 35.860) 37.400 4.119 ( 11.813 14.027 -28.359) 33.772 4.329 ( 5.896 8.016 -31.971) 33.483 5.122 ( -12.621 -5.870 18.490) 23.144 5.335 ( -8.055 -4.091 1.232) 9.118 5.456 ( -6.967 0.520 1.625) 7.173 5.568 ( -4.777 -7.584 -8.980) 12.687 5.845 ( -4.285 6.960 10.301) 13.150 5.954 ( -6.174 2.113 0.907) 6.588 6.097 ( 0.585 6.887 13.308) 14.996 6.256 ( -1.959 -7.856 -2.386) 8.441 6.598 ( 0.671 -5.789 -3.169) 6.634 6.710 ( 4.398 -9.268 1.484) 10.366 6.818 ( 7.567 -5.796 -11.328) 14.805 6.927 ( 6.391 -8.906 -9.187) 14.302 6.998 ( 10.375 -11.617 3.008) 15.863 7.293 ( 7.855 -7.000 -20.644) 23.171 8.275 ( -6.539 -5.128 9.401) 12.547 8.402 ( -4.958 5.273 6.525) 9.745 8.459 ( -1.828 -10.215 -5.805) 11.891 8.569 ( -5.659 8.600 -6.626) 12.243 8.726 ( -1.487 5.019 2.580) 5.836 8.763 ( -3.154 4.749 -0.679) 5.741 12.867 ( 6.209 -4.276 1.330) 7.656 12.906 ( 5.772 -5.141 -1.974) 7.977 13.352 ( 2.570 -8.788 1.949) 9.361 13.364 ( 1.502 -9.816 1.177) 10.000 14.098 ( 4.401 -1.916 7.126) 8.591 14.214 ( 1.948 0.125 -3.085) 3.651 14.319 ( 7.204 -2.853 8.123) 11.226 14.477 ( 6.149 -4.110 -6.392) 9.775 15.140 ( -3.762 -0.310 5.858) 6.968 15.265 ( -3.875 -2.509 -5.812) 7.422 15.592 ( -4.480 -3.440 9.599) 11.138 15.693 ( -3.627 0.956 3.778) 5.324 15.854 ( 2.753 -0.090 4.933) 5.650 15.936 ( 1.470 0.842 2.779) 3.255 15.996 ( 5.314 3.910 -7.682) 10.126 16.047 ( -0.419 0.404 -4.138) 4.178 16.285 ( -2.160 2.002 1.954) 3.534 16.359 ( -2.650 3.340 -3.969) 5.825 16.446 ( 1.183 3.676 0.686) 3.922 16.540 ( -0.377 1.129 -7.067) 7.166 16.799 ( -1.198 3.701 3.114) 4.983 16.834 ( -0.095 5.815 1.691) 6.057 16.854 ( -0.303 4.346 -0.133) 4.359 16.899 ( -0.585 4.882 -2.796) 5.656 17.169 ( -0.544 6.320 4.626) 7.851 17.269 ( -0.997 3.471 5.301) 6.415 17.302 ( -2.364 4.903 -5.721) 7.896 17.416 ( 0.460 0.264 -6.652) 6.673 17.665 ( -1.369 -2.063 7.982) 8.357 17.793 ( -2.324 -3.208 -3.860) 5.531 17.933 ( -3.028 -2.953 3.422) 5.441 18.001 ( -3.873 -1.491 -3.466) 5.407 19.165 ( 0.412 1.155 2.290) 2.598 19.226 ( -0.379 1.231 -1.470) 1.955 19.240 ( 0.206 1.400 -2.290) 2.692 19.261 ( -0.123 1.231 -2.296) 2.608 ======================= Grid point 324 (107/120) ======================= q-point: ( 0.29 0.20 0.44) 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| 3.711 ( 12.539 6.121 34.736) 37.433 3.866 ( 20.481 13.139 22.481) 33.128 4.403 ( 14.451 9.894 -19.638) 26.313 4.496 ( 10.663 6.086 -28.213) 30.769 4.821 ( -16.003 -2.614 19.477) 25.343 5.131 ( -15.684 3.270 10.042) 18.909 5.214 ( -11.913 -1.343 -10.626) 16.020 5.356 ( -14.132 -1.825 -13.273) 19.474 5.869 ( 3.295 3.458 1.245) 4.936 5.880 ( 0.624 -1.065 -0.213) 1.253 6.103 ( -1.086 5.008 8.711) 10.107 6.186 ( -4.970 -3.865 -5.165) 8.143 6.652 ( 6.061 1.470 5.932) 8.607 6.840 ( 7.886 -12.677 2.659) 15.164 6.984 ( 7.378 -9.862 -6.388) 13.875 7.035 ( 3.466 -11.778 -3.370) 12.732 7.230 ( 12.149 -14.238 3.138) 18.978 7.474 ( 10.203 -5.958 -18.617) 22.050 8.037 ( -15.315 2.803 12.640) 20.054 8.279 ( -11.205 1.574 -8.526) 14.168 8.408 ( -0.238 -1.275 2.402) 2.730 8.506 ( -0.530 -4.379 -5.210) 6.826 8.657 ( -5.228 5.506 1.550) 7.749 8.681 ( -4.764 5.581 -0.618) 7.364 13.031 ( 9.702 -4.225 1.228) 10.653 13.055 ( 8.672 -5.023 -0.785) 10.053 13.380 ( -0.380 -8.142 2.044) 8.403 13.390 ( 0.482 -7.457 0.869) 7.523 14.240 ( 9.770 -2.991 3.686) 10.862 14.294 ( 6.400 -0.681 -1.071) 6.524 14.507 ( 10.929 -5.446 7.360) 14.258 14.634 ( 8.376 -6.327 -4.317) 11.350 15.039 ( -5.088 1.878 4.955) 7.346 15.140 ( -8.203 -0.434 -4.518) 9.375 15.463 ( -8.913 -2.811 8.745) 12.799 15.576 ( -8.816 -1.338 -0.542) 8.933 15.935 ( 5.495 2.766 7.395) 9.619 15.973 ( 2.061 1.685 2.855) 3.903 16.038 ( 0.026 2.516 -2.083) 3.267 16.114 ( 4.490 5.709 -8.148) 10.915 16.245 ( -0.266 0.890 1.986) 2.193 16.318 ( -0.828 1.345 -4.327) 4.606 16.466 ( 0.584 3.743 -0.167) 3.792 16.537 ( -0.284 1.608 -6.254) 6.464 16.770 ( -1.733 2.971 3.645) 5.012 16.818 ( -1.333 5.560 -1.029) 5.809 16.842 ( -1.321 4.185 1.133) 4.532 16.866 ( -2.503 4.429 -0.985) 5.182 17.179 ( 1.942 4.535 1.112) 5.057 17.226 ( -2.275 2.548 -0.572) 3.464 17.271 ( -1.113 2.892 3.764) 4.876 17.412 ( -1.297 0.996 -7.007) 7.195 17.643 ( -0.416 -1.137 6.452) 6.564 17.742 ( -2.289 -2.380 -2.384) 4.073 17.853 ( -4.738 -2.332 1.963) 5.634 17.898 ( -6.115 -1.811 -2.569) 6.875 19.177 ( 0.737 1.101 1.962) 2.368 19.218 ( -0.427 1.003 0.035) 1.090 19.243 ( 0.134 1.724 -3.137) 3.582 19.258 ( -0.253 1.459 -2.534) 2.935 ======================= Grid point 325 (108/120) ======================= q-point: ( 0.43 0.20 0.44) 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| 4.002 ( 16.800 3.385 31.994) 36.295 4.273 ( 13.874 7.876 18.483) 24.416 4.382 ( -9.620 4.019 21.933) 24.285 4.694 ( -9.633 5.798 -4.370) 12.062 4.765 ( 11.641 5.941 -11.526) 17.426 4.815 ( 1.941 3.713 -13.174) 13.825 5.018 ( -9.773 -0.400 -18.170) 20.636 5.066 ( -14.493 3.054 -14.567) 20.774 5.927 ( 4.766 -1.073 1.475) 5.104 5.966 ( 4.560 1.842 -2.177) 5.379 6.045 ( -4.552 0.965 -0.516) 4.681 6.075 ( -5.453 -0.242 -3.702) 6.595 6.830 ( 10.761 0.760 10.627) 15.143 6.987 ( 4.916 -12.996 1.385) 13.963 7.014 ( -3.955 -9.093 3.757) 10.604 7.068 ( -0.436 -13.604 -2.328) 13.808 7.469 ( 12.244 -12.549 6.032) 18.541 7.696 ( 5.317 -1.421 -6.953) 8.868 7.746 ( -6.036 -4.144 1.356) 7.446 8.005 ( -15.142 1.334 -14.229) 20.821 8.446 ( 3.636 1.874 3.057) 5.107 8.518 ( 1.145 -0.864 -2.772) 3.121 8.546 ( -4.910 3.479 0.567) 6.044 8.586 ( -4.348 2.924 -2.318) 5.730 13.216 ( 8.000 -5.111 1.266) 9.577 13.226 ( 8.190 -5.003 0.204) 9.599 13.336 ( -4.154 -6.455 2.088) 7.956 13.354 ( -4.259 -5.843 0.206) 7.234 14.440 ( 9.690 -2.094 3.811) 10.621 14.483 ( 11.371 -4.801 0.244) 12.345 14.628 ( -3.256 -5.294 3.094) 6.943 14.696 ( -3.754 -8.386 -2.314) 9.474 15.038 ( 3.490 2.291 2.762) 5.006 15.080 ( 10.441 0.646 -0.533) 10.475 15.242 ( -12.747 -1.674 7.497) 14.883 15.345 ( -13.877 -1.493 -1.666) 14.057 16.014 ( 2.078 2.855 3.378) 4.886 16.034 ( 1.436 2.529 3.825) 4.805 16.046 ( 2.451 6.100 0.696) 6.611 16.109 ( -2.949 5.303 -2.860) 6.708 16.333 ( 6.199 2.871 -1.932) 7.100 16.361 ( 5.976 -0.188 -4.043) 7.217 16.442 ( -3.735 3.298 -0.935) 5.069 16.491 ( -5.086 2.510 -4.814) 7.439 16.752 ( 0.688 1.912 3.002) 3.625 16.785 ( -1.871 3.300 0.409) 3.816 16.813 ( -1.123 4.747 -1.041) 4.988 16.817 ( -1.840 4.193 -1.727) 4.894 17.210 ( 0.851 1.429 2.369) 2.895 17.234 ( 0.068 2.545 4.173) 4.888 17.260 ( 3.002 2.263 -1.521) 4.056 17.354 ( -4.503 1.434 -5.354) 7.141 17.664 ( 2.744 -0.381 4.083) 4.935 17.722 ( -0.200 -1.956 -0.327) 1.993 17.758 ( -4.013 -0.752 0.216) 4.089 17.786 ( -4.437 -2.626 -2.004) 5.532 19.193 ( 0.831 1.004 1.560) 2.033 19.208 ( -0.650 0.927 1.045) 1.541 19.246 ( 0.233 1.846 -3.292) 3.782 19.252 ( -0.313 1.714 -2.920) 3.400 ======================= Grid point 329 (109/120) ======================= q-point: ( 0.00 0.30 0.44) 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| 3.714 ( 0.000 14.936 37.817) 40.660 3.732 ( 0.000 23.527 29.808) 37.974 4.331 ( 0.000 18.153 -26.804) 32.372 4.482 ( 0.000 13.042 -34.550) 36.930 5.132 ( 0.000 -5.500 12.139) 13.327 5.334 ( 0.000 -8.454 11.844) 14.552 5.342 ( 0.000 -11.830 -6.955) 13.723 5.525 ( 0.000 1.574 -6.501) 6.689 6.026 ( 0.000 -11.404 1.210) 11.468 6.043 ( 0.000 1.595 3.827) 4.146 6.102 ( 0.000 -1.279 -1.581) 2.033 6.103 ( 0.000 -6.821 -1.332) 6.949 6.396 ( 0.000 -4.226 10.805) 11.602 6.500 ( 0.000 -10.943 -2.925) 11.327 6.608 ( 0.000 -11.063 -9.067) 14.304 6.638 ( 0.000 -13.045 -13.691) 18.910 6.805 ( 0.000 5.270 13.913) 14.878 7.256 ( 0.000 8.355 -24.937) 26.299 8.074 ( 0.000 -12.309 3.674) 12.845 8.150 ( 0.000 -17.587 -3.395) 17.912 8.724 ( 0.000 10.368 8.058) 13.132 8.818 ( 0.000 4.912 3.843) 6.236 8.848 ( 0.000 8.333 -3.873) 9.189 8.862 ( 0.000 3.479 -0.173) 3.484 12.733 ( 0.000 -2.512 -0.517) 2.565 12.759 ( 0.000 -3.313 -2.573) 4.195 13.121 ( 0.000 -10.923 0.349) 10.929 13.133 ( 0.000 -10.817 -0.852) 10.850 14.043 ( 0.000 0.106 8.948) 8.948 14.203 ( 0.000 -1.948 6.678) 6.956 14.209 ( 0.000 0.419 -6.497) 6.510 14.335 ( 0.000 -4.342 -5.837) 7.275 15.178 ( 0.000 1.014 4.009) 4.135 15.267 ( 0.000 0.207 -4.249) 4.254 15.533 ( 0.000 -6.465 9.813) 11.751 15.716 ( 0.000 -6.440 -6.775) 9.348 15.787 ( 0.000 1.345 9.938) 10.029 15.920 ( 0.000 -1.374 7.732) 7.853 15.991 ( 0.000 1.616 -8.695) 8.844 16.056 ( 0.000 0.170 -4.714) 4.717 16.374 ( 0.000 4.368 5.338) 6.897 16.485 ( 0.000 1.963 3.192) 3.747 16.503 ( 0.000 6.190 -6.496) 8.973 16.571 ( 0.000 2.111 -5.842) 6.211 16.906 ( 0.000 6.172 5.502) 8.269 16.934 ( 0.000 5.335 4.287) 6.844 16.981 ( 0.000 6.326 0.093) 6.327 17.028 ( 0.000 7.761 -5.670) 9.612 17.322 ( 0.000 1.108 3.629) 3.794 17.322 ( 0.000 7.310 5.833) 9.352 17.380 ( 0.000 -1.646 -1.648) 2.329 17.472 ( 0.000 6.422 -7.598) 9.948 17.630 ( 0.000 -2.286 6.272) 6.675 17.737 ( 0.000 -4.504 -3.413) 5.651 17.895 ( 0.000 -4.063 4.948) 6.402 18.000 ( 0.000 -2.892 -5.437) 6.158 19.189 ( 0.000 1.570 3.371) 3.719 19.248 ( 0.000 0.548 1.169) 1.291 19.269 ( 0.000 1.783 -4.274) 4.631 19.285 ( 0.000 1.146 -2.307) 2.576 ======================= Grid point 330 (110/120) ======================= q-point: ( 0.14 0.30 0.44) 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| 3.746 ( 4.472 14.857 36.243) 39.425 3.872 ( 12.225 21.394 27.206) 36.706 4.420 ( 8.298 15.892 -24.050) 29.997 4.525 ( 4.351 12.066 -33.239) 35.628 5.027 ( -9.645 -3.608 13.399) 16.899 5.212 ( -6.440 -8.311 0.432) 10.523 5.409 ( 0.531 -7.632 0.120) 7.651 5.494 ( -5.362 1.786 -4.276) 7.087 5.942 ( -5.751 0.675 -0.342) 5.801 5.955 ( -6.074 0.848 1.266) 6.262 6.066 ( 1.158 -10.262 0.238) 10.330 6.153 ( 0.626 -3.816 -2.539) 4.626 6.475 ( 2.949 -10.019 0.974) 10.489 6.506 ( 3.013 -9.688 4.109) 10.947 6.620 ( 3.101 -12.614 -7.942) 15.225 6.700 ( 3.648 -14.766 -8.547) 17.447 6.886 ( 7.856 4.424 13.782) 16.469 7.323 ( 6.549 7.677 -24.056) 26.087 8.087 ( 0.883 -10.734 3.882) 11.449 8.164 ( 1.358 -16.230 -3.437) 16.646 8.592 ( -10.433 9.281 8.566) 16.381 8.730 ( -8.631 6.999 -4.172) 11.870 8.830 ( -1.754 4.787 2.633) 5.738 8.857 ( -2.564 4.427 0.067) 5.116 12.798 ( 6.255 -2.538 -0.409) 6.763 12.820 ( 5.898 -3.278 -2.224) 7.105 13.160 ( 3.171 -10.583 0.224) 11.050 13.168 ( 3.247 -9.915 -0.752) 10.460 14.075 ( 3.554 -0.234 7.658) 8.446 14.217 ( 1.806 0.036 -4.355) 4.715 14.263 ( 5.146 -2.657 4.983) 7.640 14.383 ( 4.628 -5.221 -5.321) 8.775 15.156 ( -2.379 1.788 3.964) 4.957 15.244 ( -2.672 0.641 -4.202) 5.021 15.502 ( -3.196 -5.582 9.284) 11.294 15.658 ( -4.603 -4.207 -3.988) 7.402 15.844 ( 4.224 -0.697 8.363) 9.395 15.934 ( 1.636 -1.144 6.745) 7.034 16.037 ( 3.984 0.570 -8.431) 9.342 16.063 ( 1.341 0.889 -4.805) 5.067 16.351 ( -2.044 4.462 4.928) 6.955 16.457 ( -2.671 5.569 -2.547) 6.681 16.509 ( 0.925 2.193 -0.639) 2.464 16.573 ( 0.089 3.075 -5.096) 5.953 16.891 ( -1.598 5.683 5.465) 8.045 16.935 ( -0.139 4.547 3.493) 5.735 16.967 ( -1.257 6.371 0.201) 6.497 17.017 ( -1.346 7.219 -4.835) 8.792 17.283 ( -2.245 3.735 2.844) 5.204 17.325 ( -1.729 2.493 3.694) 4.780 17.355 ( -1.507 1.497 0.059) 2.125 17.474 ( -0.076 5.118 -7.184) 8.821 17.619 ( -0.829 -2.353 6.286) 6.763 17.720 ( -1.564 -4.065 -2.961) 5.267 17.866 ( -2.778 -3.916 4.331) 6.466 17.961 ( -3.785 -2.733 -5.040) 6.870 19.192 ( 0.366 1.537 3.271) 3.633 19.245 ( -0.318 0.712 1.074) 1.327 19.272 ( 0.256 1.695 -3.940) 4.297 19.286 ( 0.017 1.200 -2.409) 2.691 ======================= Grid point 331 (111/120) ======================= q-point: ( 0.29 0.30 0.44) 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| 3.887 ( 9.654 12.207 33.757) 37.172 4.175 ( 17.184 18.129 19.534) 31.709 4.591 ( 5.068 7.984 -14.578) 17.376 4.654 ( 8.771 10.018 -25.905) 29.127 4.805 ( -9.713 1.200 11.950) 15.447 5.098 ( -4.975 -4.416 -4.949) 8.291 5.276 ( -15.330 6.231 -0.234) 16.550 5.338 ( -7.332 -0.104 -6.139) 9.563 5.859 ( -0.980 -0.511 1.569) 1.919 5.934 ( 2.444 2.900 -5.283) 6.503 6.075 ( -1.146 -6.713 -2.723) 7.335 6.139 ( -1.775 -2.312 -5.422) 6.155 6.522 ( 3.997 -17.605 2.908) 18.286 6.599 ( 4.941 -11.484 1.536) 12.595 6.701 ( 3.632 -16.291 -2.406) 16.864 6.748 ( 0.852 -18.130 -3.931) 18.571 7.099 ( 13.388 4.508 14.582) 20.303 7.504 ( 11.423 6.755 -21.514) 25.278 8.052 ( -7.538 -1.974 7.980) 11.154 8.180 ( -1.161 -10.777 -4.318) 11.668 8.412 ( -3.988 3.522 5.349) 7.544 8.535 ( -9.403 5.589 -5.540) 12.262 8.739 ( -6.939 2.269 2.580) 7.743 8.768 ( -6.260 3.129 -0.153) 7.000 12.959 ( 9.235 -2.929 -0.408) 9.697 12.969 ( 8.440 -3.500 -1.223) 9.218 13.215 ( 1.765 -8.558 0.713) 8.767 13.233 ( 2.359 -8.265 -1.256) 8.686 14.193 ( 8.392 -1.514 4.732) 9.752 14.284 ( 5.149 -0.328 -3.523) 6.247 14.399 ( 7.805 -5.364 5.216) 10.812 14.500 ( 6.240 -7.069 -4.256) 10.345 15.089 ( -3.603 3.131 3.326) 5.818 15.156 ( -5.683 2.040 -2.874) 6.687 15.398 ( -7.540 -3.808 7.773) 11.479 15.526 ( -9.125 -3.729 -3.674) 10.520 15.945 ( 5.752 -1.118 8.244) 10.114 15.987 ( 3.566 -0.126 6.496) 7.412 16.083 ( 2.069 1.682 -4.171) 4.950 16.159 ( 5.707 -0.285 -8.528) 10.265 16.313 ( -0.746 5.344 4.765) 7.199 16.408 ( -1.431 6.766 -3.366) 7.691 16.539 ( 1.876 2.301 -0.080) 2.970 16.575 ( 0.025 3.414 -3.654) 5.001 16.837 ( -3.804 3.888 6.223) 8.265 16.909 ( -2.680 3.489 1.323) 4.594 16.940 ( -1.680 5.238 0.323) 5.511 16.966 ( -3.624 5.972 -3.907) 8.004 17.245 ( -1.554 1.447 1.831) 2.804 17.278 ( -0.921 3.304 -0.685) 3.498 17.330 ( -1.603 3.304 4.541) 5.840 17.454 ( -2.308 2.855 -6.247) 7.246 17.613 ( 0.637 -1.776 4.968) 5.315 17.689 ( -1.233 -2.814 -1.611) 3.469 17.797 ( -3.900 -3.405 2.506) 5.752 17.861 ( -5.908 -2.120 -3.827) 7.352 19.202 ( 0.633 1.430 3.005) 3.388 19.238 ( -0.403 0.892 1.488) 1.781 19.277 ( 0.230 1.680 -3.715) 4.084 19.286 ( -0.029 1.348 -2.706) 3.024 ======================= Grid point 332 (112/120) ======================= q-point: ( 0.43 0.30 0.44) 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| 4.120 ( 13.560 8.720 29.864) 33.938 4.390 ( -9.866 5.635 22.917) 25.579 4.570 ( 12.869 13.492 9.303) 20.837 4.786 ( 2.686 2.944 -19.039) 19.452 4.843 ( 4.672 0.567 -11.986) 12.877 4.947 ( -13.796 9.260 8.400) 18.619 5.042 ( -0.151 5.711 -16.499) 17.460 5.162 ( -9.279 6.728 -11.257) 16.065 5.904 ( 4.753 -0.707 0.679) 4.853 5.995 ( 0.405 0.348 -5.832) 5.856 6.021 ( -1.259 -1.425 -5.322) 5.652 6.085 ( -3.540 -0.332 -7.877) 8.642 6.628 ( 5.860 -21.152 3.842) 22.282 6.690 ( 3.722 -15.956 -0.267) 16.386 6.723 ( -2.765 -20.768 0.744) 20.964 6.737 ( -0.719 -18.079 -1.518) 18.157 7.407 ( 17.503 6.197 15.506) 24.191 7.756 ( 1.806 6.065 -4.596) 7.821 7.778 ( -5.493 5.756 1.107) 8.033 8.046 ( -12.472 1.403 -11.851) 17.262 8.456 ( 4.968 -0.435 0.634) 5.027 8.471 ( 4.554 -2.330 -0.719) 5.166 8.585 ( -7.850 -0.497 2.232) 8.176 8.620 ( -8.221 0.666 -0.983) 8.306 13.120 ( 6.464 -4.429 0.462) 7.849 13.133 ( 7.192 -4.346 -0.922) 8.453 13.212 ( -2.128 -6.013 0.656) 6.412 13.236 ( -2.375 -5.967 -1.680) 6.639 14.388 ( 10.129 -3.392 1.940) 10.857 14.412 ( 6.936 -1.965 -0.264) 7.214 14.506 ( 0.853 -6.740 2.058) 7.099 14.551 ( -3.085 -6.308 -1.926) 7.281 15.086 ( 1.498 2.245 1.223) 2.963 15.097 ( 5.994 1.432 0.065) 6.163 15.217 ( -9.724 -1.111 5.370) 11.163 15.305 ( -12.414 -2.487 -2.732) 12.952 16.034 ( 2.956 -0.349 5.746) 6.471 16.054 ( 1.549 -0.368 7.643) 7.807 16.134 ( 2.979 2.861 -3.054) 5.137 16.187 ( -2.053 2.090 -3.758) 4.765 16.388 ( 7.042 3.699 0.729) 7.988 16.439 ( 4.807 6.962 -2.270) 8.760 16.531 ( -4.180 5.379 -0.518) 6.831 16.555 ( -3.045 3.806 -3.143) 5.800 16.783 ( 0.231 1.216 5.886) 6.015 16.839 ( -4.007 2.012 2.253) 5.018 16.894 ( -1.772 3.506 -3.066) 4.983 16.904 ( -2.203 4.343 -3.321) 5.894 17.242 ( 1.493 1.981 3.825) 4.559 17.287 ( -2.554 2.793 4.805) 6.116 17.306 ( 3.135 2.430 -2.650) 4.770 17.384 ( -4.266 1.500 -4.173) 6.154 17.649 ( 2.846 -1.427 2.456) 4.021 17.682 ( 0.410 -1.820 0.274) 1.886 17.727 ( -2.718 -2.718 -0.153) 3.847 17.748 ( -4.853 -0.841 -2.098) 5.354 19.216 ( 0.688 1.254 2.625) 2.989 19.228 ( -0.550 1.059 2.117) 2.430 19.281 ( 0.182 1.660 -3.496) 3.874 19.284 ( -0.118 1.534 -3.120) 3.479 ======================= Grid point 336 (113/120) ======================= q-point: ( 0.00 0.40 0.44) 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| 4.065 ( 0.000 20.299 31.734) 37.671 4.205 ( 0.000 24.643 26.134) 35.920 4.615 ( 0.000 6.384 -8.000) 10.235 4.747 ( 0.000 12.646 -32.564) 34.934 5.055 ( 0.000 -1.746 0.447) 1.802 5.102 ( 0.000 -15.332 21.761) 26.620 5.156 ( 0.000 -4.437 -11.645) 12.462 5.508 ( 0.000 -5.621 -15.462) 16.452 5.860 ( 0.000 -3.438 -1.417) 3.719 5.926 ( 0.000 -6.406 -7.651) 9.979 6.022 ( 0.000 -3.861 0.900) 3.965 6.083 ( 0.000 -2.695 -2.708) 3.820 6.281 ( 0.000 -9.551 -3.610) 10.211 6.291 ( 0.000 -6.136 4.343) 7.518 6.374 ( 0.000 -11.435 -10.241) 15.350 6.412 ( 0.000 -8.427 -6.289) 10.515 7.065 ( 0.000 18.083 18.324) 25.744 7.453 ( 0.000 10.970 -18.578) 21.575 7.789 ( 0.000 -18.076 4.000) 18.513 7.866 ( 0.000 -10.821 -3.650) 11.420 8.876 ( 0.000 5.347 6.148) 8.148 8.909 ( 0.000 4.142 2.637) 4.910 8.919 ( 0.000 2.223 1.759) 2.834 8.957 ( 0.000 2.961 -1.596) 3.364 12.717 ( 0.000 1.016 -1.546) 1.850 12.733 ( 0.000 0.926 -2.689) 2.844 12.921 ( 0.000 -9.223 -0.675) 9.248 12.939 ( 0.000 -8.980 -2.395) 9.294 14.063 ( 0.000 1.934 7.596) 7.838 14.164 ( 0.000 -2.245 4.551) 5.075 14.216 ( 0.000 0.316 -6.677) 6.684 14.260 ( 0.000 -3.055 -4.403) 5.359 15.211 ( 0.000 2.620 4.784) 5.454 15.315 ( 0.000 4.557 -5.071) 6.817 15.403 ( 0.000 -6.659 8.538) 10.828 15.577 ( 0.000 -7.660 -7.648) 10.824 15.806 ( 0.000 1.004 9.588) 9.640 15.880 ( 0.000 -2.476 8.621) 8.969 16.011 ( 0.000 0.739 -9.385) 9.414 16.049 ( 0.000 -0.905 -7.071) 7.128 16.458 ( 0.000 3.720 7.642) 8.500 16.507 ( 0.000 0.631 5.960) 5.993 16.607 ( 0.000 3.939 -6.377) 7.496 16.622 ( 0.000 2.433 -5.202) 5.743 17.025 ( 0.000 3.922 6.236) 7.367 17.025 ( 0.000 5.140 7.288) 8.918 17.098 ( 0.000 5.611 -0.204) 5.615 17.178 ( 0.000 6.469 -7.070) 9.583 17.317 ( 0.000 -0.554 4.152) 4.189 17.364 ( 0.000 0.464 -0.220) 0.514 17.424 ( 0.000 1.444 4.079) 4.327 17.509 ( 0.000 -2.667 -1.229) 2.937 17.631 ( 0.000 0.905 1.465) 1.722 17.703 ( 0.000 4.074 -4.438) 6.024 17.806 ( 0.000 -5.127 5.536) 7.545 17.927 ( 0.000 -4.677 -6.322) 7.864 19.219 ( 0.000 1.479 3.670) 3.957 19.253 ( 0.000 -0.127 2.255) 2.259 19.298 ( 0.000 1.117 -3.894) 4.052 19.304 ( 0.000 0.716 -2.670) 2.765 ======================= Grid point 337 (114/120) ======================= q-point: ( 0.14 0.40 0.44) 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| 4.082 ( 2.387 19.116 30.745) 36.282 4.314 ( 9.771 23.235 23.122) 34.205 4.640 ( 2.112 2.518 -4.621) 5.670 4.762 ( 1.318 9.729 -29.906) 31.476 4.990 ( -5.563 0.192 2.611) 6.149 5.078 ( -0.880 -3.059 2.057) 3.790 5.232 ( 5.474 -9.156 1.529) 10.776 5.505 ( -1.420 -2.953 -11.761) 12.209 5.853 ( -0.700 -3.821 0.958) 4.000 5.929 ( 0.363 -4.700 -5.271) 7.071 5.992 ( -2.210 -0.514 -1.883) 2.948 6.067 ( -0.837 -2.077 -5.392) 5.839 6.242 ( -2.041 -10.568 -4.328) 11.601 6.284 ( -0.950 -11.830 -4.015) 12.529 6.401 ( 1.875 -10.187 -4.995) 11.500 6.420 ( 0.042 -11.644 -3.853) 12.265 7.131 ( 6.630 17.205 17.990) 25.761 7.509 ( 5.568 10.440 -17.877) 21.438 7.824 ( 3.454 -17.001 4.116) 17.830 7.904 ( 3.591 -10.067 -3.696) 11.309 8.749 ( -10.132 6.793 6.902) 14.016 8.839 ( -7.353 4.097 -1.093) 8.488 8.889 ( -4.672 1.048 2.873) 5.584 8.919 ( -3.797 1.982 -0.120) 4.285 12.779 ( 5.972 0.831 -1.415) 6.194 12.792 ( 5.627 0.584 -2.297) 6.106 12.969 ( 4.375 -8.682 -0.680) 9.746 12.988 ( 4.527 -8.252 -2.502) 9.739 14.091 ( 2.991 1.788 6.607) 7.470 14.198 ( 3.260 -2.115 2.789) 4.783 14.235 ( 2.167 -0.145 -4.884) 5.345 14.289 ( 2.966 -4.058 -3.832) 6.320 15.203 ( -1.198 3.067 4.379) 5.479 15.296 ( -2.311 4.478 -4.203) 6.562 15.388 ( -1.705 -5.811 7.692) 9.790 15.547 ( -3.266 -6.809 -6.743) 10.124 15.835 ( 2.879 -0.089 9.460) 9.889 15.902 ( 2.563 -1.777 8.253) 8.822 16.037 ( 2.351 -0.238 -9.071) 9.373 16.070 ( 2.583 -0.108 -7.245) 7.692 16.435 ( -1.699 3.631 6.968) 8.039 16.515 ( 0.598 0.933 6.466) 6.560 16.568 ( -2.187 3.422 -5.695) 6.994 16.642 ( 0.712 3.100 -5.386) 6.255 16.997 ( -2.730 4.592 7.405) 9.130 17.011 ( -1.582 3.201 5.436) 6.504 17.078 ( -1.941 4.954 0.124) 5.322 17.155 ( -2.518 5.549 -6.827) 9.151 17.299 ( -1.534 0.603 4.267) 4.575 17.351 ( -1.113 1.421 -0.645) 1.917 17.415 ( -0.927 1.368 3.937) 4.270 17.510 ( -0.289 -2.948 -2.962) 4.189 17.610 ( -1.775 1.356 2.955) 3.704 17.688 ( -1.231 3.104 -3.671) 4.963 17.782 ( -2.312 -4.774 4.800) 7.154 17.893 ( -3.235 -4.309 -6.013) 8.074 19.222 ( 0.271 1.416 3.618) 3.895 19.252 ( -0.092 0.004 2.313) 2.315 19.300 ( 0.186 1.073 -3.810) 3.963 19.305 ( 0.088 0.741 -2.726) 2.827 ======================= Grid point 338 (115/120) ======================= q-point: ( 0.29 0.40 0.44) 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| 4.168 ( 6.298 16.004 27.650) 32.562 4.537 ( 10.608 17.560 14.161) 24.929 4.669 ( -0.049 -2.398 1.102) 2.640 4.784 ( 0.524 2.101 -22.735) 22.838 4.864 ( -4.572 5.125 9.818) 11.981 5.111 ( 3.642 7.844 -6.644) 10.905 5.310 ( 1.268 -2.644 -2.894) 4.120 5.413 ( -7.759 5.458 -4.042) 10.312 5.848 ( 0.815 -1.923 2.400) 3.181 5.944 ( 1.491 -4.270 -0.289) 4.532 5.980 ( 0.971 0.971 -9.951) 10.045 6.064 ( 0.211 -3.510 -8.682) 9.367 6.212 ( -0.673 -12.418 -4.258) 13.145 6.285 ( 1.301 -16.480 -7.536) 18.168 6.397 ( -2.386 -16.193 -1.001) 16.399 6.421 ( -0.242 -12.481 -3.766) 13.039 7.320 ( 12.292 15.098 16.912) 25.788 7.665 ( 9.926 8.944 -15.754) 20.657 7.918 ( 5.511 -13.318 3.991) 14.955 7.985 ( 3.221 -6.718 -2.223) 7.775 8.522 ( -11.050 6.653 7.494) 14.917 8.649 ( -10.971 5.463 -4.039) 12.904 8.740 ( -9.666 -1.921 4.103) 10.675 8.798 ( -8.407 -0.056 -1.142) 8.485 12.928 ( 8.048 -0.123 -1.204) 8.139 12.930 ( 7.606 -0.394 -1.334) 7.732 13.063 ( 4.272 -6.766 -0.559) 8.022 13.087 ( 4.510 -6.425 -2.844) 8.349 14.188 ( 6.821 0.989 4.300) 8.124 14.279 ( 4.725 -0.515 -2.769) 5.501 14.314 ( 5.469 -2.962 1.291) 6.352 14.373 ( 5.167 -5.671 -3.097) 8.273 15.156 ( -3.281 3.687 3.348) 5.964 15.217 ( -5.178 4.149 -2.064) 6.949 15.320 ( -5.391 -3.993 5.372) 8.594 15.436 ( -7.990 -5.427 -4.854) 10.810 15.920 ( 5.364 -1.122 8.501) 10.115 15.977 ( 4.399 -0.629 8.044) 9.189 16.096 ( 3.587 -0.151 -7.357) 8.187 16.149 ( 4.417 -0.337 -7.746) 8.923 16.415 ( 0.429 4.479 6.586) 7.977 16.521 ( 0.234 3.694 1.287) 3.919 16.561 ( 2.108 1.107 -0.681) 2.476 16.649 ( 0.104 3.118 -3.768) 4.892 16.911 ( -5.946 3.328 8.056) 10.552 16.958 ( -3.929 1.586 3.942) 5.787 17.023 ( -3.707 3.180 -0.938) 4.973 17.073 ( -5.488 4.048 -6.285) 9.274 17.274 ( -0.522 2.566 4.310) 5.043 17.333 ( -0.307 2.544 -1.529) 2.984 17.386 ( -1.977 1.472 3.509) 4.288 17.475 ( -3.374 -2.011 -4.644) 6.082 17.590 ( 0.299 0.362 4.901) 4.924 17.666 ( -0.767 1.127 -1.640) 2.133 17.726 ( -2.887 -3.533 2.508) 5.206 17.812 ( -4.569 -3.054 -5.072) 7.478 19.229 ( 0.439 1.225 3.465) 3.701 19.250 ( -0.167 0.283 2.539) 2.560 19.304 ( 0.212 1.019 -3.641) 3.787 19.307 ( 0.099 0.811 -2.900) 3.012 ======================= Grid point 339 (116/120) ======================= q-point: ( 0.43 0.40 0.44) 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| 4.325 ( 9.278 11.743 22.374) 26.918 4.517 ( -9.299 7.154 14.829) 18.909 4.728 ( 3.792 -3.355 -5.525) 7.494 4.775 ( -1.388 -3.786 -14.075) 14.641 4.932 ( 10.346 14.950 13.577) 22.691 5.143 ( -6.562 10.745 5.719) 13.829 5.247 ( -0.581 12.474 -11.313) 16.850 5.305 ( -3.232 6.745 -7.668) 10.712 5.895 ( 3.551 -1.412 -0.705) 3.886 5.955 ( -1.575 -3.452 -3.058) 4.874 6.017 ( 2.470 -0.401 -10.311) 10.610 6.056 ( -1.265 -2.265 -10.442) 10.760 6.238 ( 3.518 -16.202 -0.334) 16.583 6.324 ( -2.979 -18.287 -0.879) 18.549 6.335 ( 1.622 -17.381 -5.244) 18.227 6.393 ( -2.465 -15.926 -4.947) 16.858 7.605 ( 15.858 12.131 14.501) 24.676 7.876 ( 7.185 5.498 -7.816) 11.956 7.905 ( -7.876 5.666 4.894) 10.867 8.011 ( -0.190 -5.344 -1.948) 5.691 8.439 ( 4.101 -0.826 0.726) 4.246 8.470 ( -4.216 2.394 -2.189) 5.320 8.542 ( -8.945 -3.268 3.614) 10.186 8.606 ( -10.190 -2.037 -2.139) 10.610 13.054 ( 4.507 -2.231 0.180) 5.032 13.067 ( 4.557 -2.314 -0.571) 5.143 13.115 ( 1.051 -3.745 -1.622) 4.214 13.137 ( 0.180 -3.895 -3.208) 5.049 14.339 ( 7.061 -1.410 1.927) 7.453 14.381 ( 4.791 -2.107 -1.081) 5.344 14.402 ( 2.186 -2.703 0.821) 3.572 14.448 ( 0.606 -4.235 -2.508) 4.959 15.117 ( 0.736 1.534 2.036) 2.654 15.140 ( -0.682 2.407 -0.284) 2.518 15.194 ( -5.988 -1.258 2.580) 6.640 15.254 ( -9.216 -2.667 -2.712) 9.970 16.017 ( 3.609 -0.969 7.534) 8.410 16.042 ( 1.294 -0.609 7.953) 8.081 16.165 ( 2.949 0.643 -5.754) 6.498 16.198 ( 0.058 -0.219 -6.120) 6.124 16.482 ( 6.221 4.874 5.047) 9.377 16.559 ( 2.810 4.523 1.317) 5.485 16.617 ( 0.620 2.784 -2.705) 3.931 16.629 ( -1.734 3.574 0.995) 4.095 16.802 ( -2.511 0.943 8.023) 8.459 16.860 ( -5.666 0.238 3.276) 6.550 16.944 ( -2.307 1.628 -4.722) 5.502 16.973 ( -4.076 2.633 -5.644) 7.444 17.288 ( 1.882 2.699 3.947) 5.139 17.335 ( -2.008 1.957 2.952) 4.071 17.349 ( 0.956 1.811 -1.516) 2.549 17.400 ( -3.568 -0.135 -2.712) 4.484 17.613 ( 1.726 -1.525 3.764) 4.413 17.650 ( -1.570 -2.119 3.082) 4.056 17.691 ( 0.214 -0.361 -2.766) 2.797 17.730 ( -3.320 -1.101 -3.872) 5.218 19.238 ( 0.432 0.931 3.217) 3.376 19.245 ( -0.296 0.600 2.886) 2.962 19.307 ( 0.117 0.979 -3.427) 3.566 19.308 ( 0.013 0.904 -3.161) 3.288 ======================= Grid point 343 (117/120) ======================= q-point: ( 0.00 -0.50 0.44) 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| 4.444 ( 0.000 -16.135 21.826) 27.143 4.444 ( 0.000 16.135 21.826) 27.143 4.681 ( 0.000 -19.905 15.676) 25.337 4.681 ( 0.000 19.905 15.676) 25.337 4.996 ( 0.000 -5.600 -10.213) 11.647 4.996 ( 0.000 5.600 -10.213) 11.647 5.293 ( 0.000 -13.985 -23.262) 27.142 5.293 ( 0.000 13.985 -23.262) 27.142 5.894 ( 0.000 -6.786 -2.627) 7.277 5.894 ( 0.000 6.786 -2.627) 7.277 5.956 ( 0.000 -7.210 -6.292) 9.569 5.956 ( 0.000 7.210 -6.292) 9.569 6.210 ( 0.000 -1.217 1.305) 1.785 6.210 ( 0.000 1.217 1.305) 1.785 6.298 ( 0.000 -2.558 -5.669) 6.219 6.298 ( 0.000 2.558 -5.669) 6.219 7.430 ( 0.000 -18.929 11.691) 22.248 7.430 ( 0.000 18.929 11.691) 22.248 7.663 ( 0.000 -10.574 -10.978) 15.242 7.663 ( 0.000 10.574 -10.978) 15.242 8.934 ( 0.000 -0.808 3.972) 4.054 8.934 ( 0.000 0.808 3.972) 4.054 8.968 ( 0.000 -1.348 0.675) 1.507 8.968 ( 0.000 1.348 0.675) 1.507 12.778 ( 0.000 -5.343 -1.360) 5.513 12.778 ( 0.000 5.343 -1.360) 5.513 12.796 ( 0.000 -5.448 -2.922) 6.182 12.796 ( 0.000 5.448 -2.922) 6.182 14.112 ( 0.000 -2.880 5.297) 6.029 14.112 ( 0.000 2.880 5.297) 6.029 14.225 ( 0.000 -0.774 -5.152) 5.209 14.225 ( 0.000 0.774 -5.152) 5.209 15.286 ( 0.000 -5.095 6.728) 8.439 15.286 ( 0.000 5.095 6.728) 8.439 15.431 ( 0.000 -7.084 -6.838) 9.846 15.431 ( 0.000 7.084 -6.838) 9.846 15.835 ( 0.000 -1.890 9.164) 9.357 15.835 ( 0.000 1.890 9.164) 9.357 16.028 ( 0.000 -0.977 -8.864) 8.918 16.028 ( 0.000 0.977 -8.864) 8.918 16.505 ( 0.000 -0.962 7.812) 7.871 16.505 ( 0.000 0.962 7.812) 7.871 16.646 ( 0.000 -0.043 -5.639) 5.639 16.646 ( 0.000 0.043 -5.639) 5.639 17.073 ( 0.000 -0.453 7.765) 7.778 17.073 ( 0.000 0.453 7.765) 7.778 17.192 ( 0.000 -3.631 -2.157) 4.223 17.192 ( 0.000 3.631 -2.157) 4.223 17.380 ( 0.000 -4.506 1.217) 4.668 17.380 ( 0.000 4.506 1.217) 4.668 17.413 ( 0.000 -5.387 -0.711) 5.433 17.413 ( 0.000 5.387 -0.711) 5.433 17.701 ( 0.000 -5.462 5.329) 7.630 17.701 ( 0.000 5.462 5.329) 7.630 17.820 ( 0.000 -6.267 -6.390) 8.950 17.820 ( 0.000 6.267 -6.390) 8.950 19.243 ( 0.000 -0.925 3.226) 3.356 19.243 ( 0.000 0.925 3.226) 3.356 19.310 ( 0.000 -0.149 -3.282) 3.285 19.310 ( 0.000 0.149 -3.282) 3.285 ======================= Grid point 345 (118/120) ======================= q-point: ( 0.14 -0.50 0.44) 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| 4.416 ( -0.288 0.000 23.031) 23.032 4.473 ( 1.195 -0.000 18.527) 18.566 4.735 ( 4.482 0.000 6.912) 8.238 4.747 ( 4.342 -0.000 8.131) 9.218 4.983 ( 0.212 0.000 -5.865) 5.869 4.999 ( 0.729 0.000 2.049) 2.175 5.292 ( 1.745 -0.000 -20.917) 20.990 5.366 ( 4.676 0.000 -20.880) 21.397 5.857 ( -2.062 0.000 -0.055) 2.063 5.896 ( -0.083 -0.000 -2.178) 2.180 5.969 ( 0.725 0.000 -8.272) 8.304 5.973 ( 1.340 -0.000 -8.332) 8.439 6.173 ( -2.705 -0.000 -0.900) 2.851 6.204 ( -1.097 -0.000 1.148) 1.587 6.233 ( -4.206 0.000 -4.907) 6.463 6.310 ( -0.760 0.000 -6.902) 6.944 7.463 ( 4.288 -0.000 12.004) 12.747 7.497 ( 5.842 0.000 11.418) 12.826 7.701 ( 4.150 -0.000 -10.991) 11.748 7.722 ( 5.416 0.000 -10.457) 11.776 8.837 ( -8.767 0.000 4.823) 10.006 8.869 ( -6.732 0.000 5.469) 8.673 8.891 ( -6.345 -0.000 -0.289) 6.351 8.936 ( -4.906 0.000 -0.989) 5.005 12.827 ( 4.246 0.000 -1.580) 4.530 12.833 ( 5.344 -0.000 -2.338) 5.833 12.837 ( 5.374 0.000 -0.283) 5.381 12.878 ( 6.253 -0.000 -3.958) 7.400 14.129 ( 2.577 0.000 5.020) 5.643 14.158 ( 3.756 -0.000 4.067) 5.536 14.239 ( 1.673 -0.000 -3.521) 3.898 14.244 ( 1.935 0.000 -5.681) 6.002 15.274 ( -1.335 0.000 6.919) 7.047 15.284 ( -0.777 -0.000 5.574) 5.628 15.409 ( -2.562 0.000 -6.086) 6.603 15.414 ( -2.086 -0.000 -6.290) 6.627 15.837 ( 1.721 0.000 9.216) 9.375 15.881 ( 3.594 0.000 8.885) 9.584 16.034 ( 1.581 0.000 -9.117) 9.253 16.068 ( 3.236 0.000 -8.453) 9.051 16.473 ( -1.583 0.000 7.116) 7.290 16.524 ( 0.667 0.000 8.470) 8.496 16.603 ( -2.116 0.000 -5.324) 5.729 16.674 ( 0.785 0.000 -5.716) 5.769 17.045 ( -3.079 0.000 8.504) 9.044 17.046 ( -2.520 -0.000 6.621) 7.084 17.143 ( -3.605 -0.000 -1.337) 3.845 17.180 ( -2.197 0.000 -3.229) 3.906 17.362 ( -1.217 -0.000 1.103) 1.643 17.387 ( 0.070 0.000 1.606) 1.608 17.399 ( -0.971 0.000 -0.947) 1.357 17.419 ( 0.040 -0.000 -0.937) 0.938 17.671 ( -2.179 0.000 6.159) 6.533 17.689 ( -1.592 0.000 4.180) 4.473 17.781 ( -2.876 0.000 -5.056) 5.816 17.806 ( -1.927 -0.000 -6.954) 7.216 19.243 ( 0.092 -0.000 3.282) 3.283 19.245 ( 0.143 0.000 3.199) 3.202 19.311 ( 0.121 0.000 -3.277) 3.279 19.312 ( 0.141 -0.000 -3.283) 3.286 ======================= Grid point 347 (119/120) ======================= q-point: ( 0.29 -0.50 0.44) 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| 4.441 ( 2.821 0.000 19.563) 19.765 4.509 ( 2.623 -0.000 14.498) 14.734 4.757 ( -3.028 0.000 -6.736) 7.385 4.771 ( -2.349 -0.000 -5.638) 6.108 5.060 ( 7.409 -0.000 8.158) 11.020 5.081 ( 7.255 0.000 18.172) 19.566 5.339 ( 2.243 -0.000 -14.804) 14.972 5.437 ( 1.488 0.000 -14.389) 14.466 5.830 ( -0.335 0.000 1.334) 1.375 5.905 ( 0.653 0.000 -1.586) 1.715 5.979 ( 0.422 0.000 -9.714) 9.724 5.999 ( 1.415 0.000 -10.748) 10.841 6.124 ( -1.584 0.000 -5.208) 5.444 6.149 ( -3.862 -0.000 -4.657) 6.050 6.174 ( -1.849 0.000 -1.443) 2.345 6.275 ( -2.587 0.000 -8.038) 8.444 7.598 ( 9.223 -0.000 11.542) 14.774 7.655 ( 9.794 0.000 10.908) 14.660 7.816 ( 7.041 -0.000 -9.376) 11.725 7.864 ( 8.207 0.000 -9.288) 12.395 8.619 ( -12.264 0.000 6.900) 14.072 8.687 ( -10.921 -0.000 6.336) 12.626 8.722 ( -10.192 0.000 -2.817) 10.574 8.782 ( -10.221 -0.000 -2.722) 10.577 12.937 ( 6.023 0.000 -0.426) 6.038 12.960 ( 6.079 -0.000 0.458) 6.096 12.964 ( 6.992 0.000 -2.986) 7.602 13.011 ( 6.323 -0.000 -4.278) 7.634 14.215 ( 5.828 0.000 3.574) 6.836 14.257 ( 5.857 -0.000 1.974) 6.180 14.297 ( 4.255 -0.000 -1.739) 4.597 14.306 ( 4.330 0.000 -4.898) 6.538 15.220 ( -4.144 0.000 5.994) 7.287 15.242 ( -3.521 -0.000 3.336) 4.850 15.314 ( -6.943 0.000 -3.367) 7.716 15.337 ( -5.632 -0.000 -5.119) 7.611 15.909 ( 5.114 0.000 8.406) 9.840 15.970 ( 4.788 0.000 8.610) 9.852 16.092 ( 4.069 0.000 -8.551) 9.470 16.146 ( 4.020 0.000 -7.608) 8.604 16.463 ( 1.309 -0.000 6.573) 6.702 16.542 ( 1.552 0.000 8.419) 8.561 16.585 ( 1.005 0.000 -5.145) 5.243 16.680 ( -0.008 0.000 -4.305) 4.305 16.949 ( -6.535 -0.000 9.329) 11.390 16.971 ( -5.058 0.000 4.746) 6.937 17.055 ( -5.226 -0.000 -2.293) 5.707 17.108 ( -4.949 0.000 -4.905) 6.968 17.334 ( -1.332 -0.000 2.578) 2.902 17.379 ( -0.881 -0.000 -1.393) 1.648 17.379 ( -0.853 0.000 1.695) 1.898 17.411 ( -0.937 -0.000 -1.463) 1.737 17.630 ( -1.671 0.000 5.787) 6.023 17.647 ( -2.340 -0.000 4.001) 4.635 17.725 ( -2.315 0.000 -3.806) 4.455 17.756 ( -2.728 -0.000 -6.415) 6.971 19.246 ( 0.160 -0.000 3.320) 3.324 19.248 ( 0.143 0.000 3.215) 3.218 19.314 ( 0.169 0.000 -3.271) 3.275 19.315 ( 0.160 -0.000 -3.275) 3.279 ======================= Grid point 349 (120/120) ======================= q-point: ( 0.43 -0.50 0.44) 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| 4.521 ( 4.917 0.000 12.500) 13.433 4.571 ( 2.611 -0.000 8.487) 8.879 4.665 ( -4.310 0.000 1.214) 4.478 4.693 ( -4.548 -0.000 -1.080) 4.675 5.210 ( 5.954 -0.000 6.766) 9.013 5.217 ( 4.937 0.000 11.185) 12.226 5.364 ( 0.635 -0.000 -6.394) 6.426 5.412 ( -3.452 0.000 -6.614) 7.460 5.849 ( 2.093 0.000 0.345) 2.122 5.895 ( -1.870 0.000 -0.575) 1.956 5.995 ( 1.333 0.000 -10.046) 10.134 6.020 ( -0.284 0.000 -11.396) 11.400 6.100 ( 0.015 0.000 -4.981) 4.981 6.132 ( -2.268 -0.000 -4.379) 4.932 6.139 ( 2.881 0.000 -8.631) 9.099 6.212 ( -3.772 0.000 -8.964) 9.725 7.813 ( 11.615 -0.000 8.673) 14.496 7.858 ( 9.294 0.000 8.085) 12.318 7.937 ( 3.050 0.000 -2.819) 4.154 7.974 ( -0.601 0.000 -2.260) 2.338 8.438 ( -2.192 0.000 3.688) 4.290 8.493 ( -6.179 -0.000 3.105) 6.915 8.525 ( -8.198 0.000 -3.633) 8.967 8.561 ( -11.065 -0.000 -3.012) 11.468 13.034 ( 3.083 0.000 0.413) 3.110 13.045 ( 2.033 -0.000 0.700) 2.150 13.077 ( 3.768 0.000 -3.598) 5.209 13.097 ( 1.848 0.000 -4.066) 4.467 14.329 ( 4.446 0.000 2.398) 5.052 14.349 ( 2.504 0.000 1.819) 3.095 14.394 ( 3.975 -0.000 -2.357) 4.621 14.396 ( 3.597 0.000 -3.745) 5.193 15.140 ( -2.519 0.000 3.958) 4.692 15.172 ( -5.767 0.000 0.310) 5.776 15.177 ( -1.625 0.000 -0.043) 1.626 15.217 ( -5.329 -0.000 -3.298) 6.267 16.006 ( 3.833 0.000 7.886) 8.768 16.035 ( 1.125 0.000 8.122) 8.199 16.170 ( 2.997 0.000 -6.959) 7.577 16.195 ( 0.556 0.000 -6.298) 6.322 16.539 ( 5.821 0.000 5.521) 8.023 16.595 ( 3.111 0.000 6.152) 6.894 16.648 ( 3.848 0.000 -4.452) 5.885 16.665 ( -1.903 0.000 1.276) 2.291 16.815 ( -4.942 -0.000 9.884) 11.050 16.858 ( -6.018 0.000 2.379) 6.471 16.959 ( -2.530 0.000 -5.308) 5.881 17.000 ( -5.213 0.000 -6.878) 8.631 17.327 ( 0.752 -0.000 3.219) 3.306 17.354 ( -1.612 0.000 2.216) 2.740 17.371 ( 0.169 0.000 -1.464) 1.473 17.386 ( -1.293 -0.000 -1.448) 1.942 17.609 ( -0.435 0.000 4.910) 4.929 17.613 ( -0.915 -0.000 4.549) 4.640 17.699 ( -0.347 0.000 -3.891) 3.907 17.711 ( -1.563 -0.000 -5.025) 5.262 19.249 ( 0.106 0.000 3.309) 3.311 19.250 ( 0.033 -0.000 3.262) 3.262 19.317 ( 0.088 0.000 -3.266) 3.267 19.317 ( 0.059 -0.000 -3.267) 3.267 =================== 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 28028.663 41450.532 23687.221 0.000 0.000 0.000 3/37800 20.0 8184.839 11459.102 8340.332 0.000 0.000 0.000 3/37800 30.0 3522.425 4475.824 3774.406 0.000 0.000 0.000 3/37800 40.0 1785.344 2145.179 1992.491 0.000 0.000 0.000 3/37800 50.0 1069.265 1243.484 1223.743 0.000 0.000 0.000 3/37800 60.0 724.994 827.377 840.462 0.000 0.000 0.000 3/37800 70.0 531.679 600.503 619.723 0.000 0.000 0.000 3/37800 80.0 409.120 459.484 477.488 0.000 0.000 0.000 3/37800 90.0 324.847 363.703 378.841 0.000 0.000 0.000 3/37800 100.0 263.853 294.902 307.217 0.000 0.000 0.000 3/37800 110.0 218.241 243.692 253.654 0.000 0.000 0.000 3/37800 120.0 183.367 204.650 212.758 0.000 0.000 0.000 3/37800 130.0 156.257 174.347 181.025 0.000 0.000 0.000 3/37800 140.0 134.886 150.478 156.057 0.000 0.000 0.000 3/37800 150.0 117.825 131.428 136.158 0.000 0.000 0.000 3/37800 160.0 104.043 116.037 120.105 0.000 0.000 0.000 3/37800 170.0 92.781 103.457 107.004 0.000 0.000 0.000 3/37800 180.0 83.477 93.060 96.192 0.000 0.000 -0.000 3/37800 190.0 75.710 84.376 87.175 0.000 0.000 -0.000 3/37800 200.0 69.162 77.053 79.578 0.000 0.000 -0.000 3/37800 210.0 63.590 70.818 73.118 0.000 0.000 -0.000 3/37800 220.0 58.806 65.464 67.575 0.000 0.000 -0.000 3/37800 230.0 54.665 60.829 62.780 0.000 0.000 -0.000 3/37800 240.0 51.054 56.785 58.601 0.000 0.000 -0.000 3/37800 250.0 47.882 53.234 54.933 0.000 0.000 -0.000 3/37800 260.0 45.077 50.094 51.691 0.000 0.000 -0.000 3/37800 270.0 42.583 47.301 48.809 0.000 0.000 -0.000 3/37800 280.0 40.351 44.803 46.232 0.000 0.000 -0.000 3/37800 290.0 38.344 42.557 43.915 0.000 0.000 -0.000 3/37800 300.0 36.531 40.527 41.823 0.000 0.000 -0.000 3/37800 310.0 34.885 38.686 39.925 0.000 0.000 -0.000 3/37800 320.0 33.385 37.007 38.195 0.000 0.000 -0.000 3/37800 330.0 32.012 35.472 36.613 0.000 0.000 -0.000 3/37800 340.0 30.751 34.062 35.161 0.000 0.000 -0.000 3/37800 350.0 29.589 32.764 33.823 0.000 0.000 -0.000 3/37800 360.0 28.515 31.564 32.586 0.000 0.000 -0.000 3/37800 370.0 27.518 30.451 31.441 0.000 0.000 -0.000 3/37800 380.0 26.592 29.417 30.375 0.000 0.000 -0.000 3/37800 390.0 25.729 28.454 29.383 0.000 0.000 -0.000 3/37800 400.0 24.922 27.554 28.456 0.000 0.000 -0.000 3/37800 410.0 24.167 26.712 27.588 0.000 0.000 -0.000 3/37800 420.0 23.458 25.921 26.774 0.000 0.000 -0.000 3/37800 430.0 22.791 25.178 26.008 0.000 0.000 -0.000 3/37800 440.0 22.163 24.478 25.287 0.000 0.000 -0.000 3/37800 450.0 21.570 23.818 24.606 0.000 0.000 -0.000 3/37800 460.0 21.009 23.193 23.963 0.000 0.000 -0.000 3/37800 470.0 20.478 22.602 23.354 0.000 0.000 -0.000 3/37800 480.0 19.974 22.042 22.776 0.000 0.000 -0.000 3/37800 490.0 19.495 21.510 22.228 0.000 0.000 -0.000 3/37800 500.0 19.040 21.004 21.706 0.000 0.000 -0.000 3/37800 510.0 18.607 20.522 21.210 0.000 0.000 -0.000 3/37800 520.0 18.193 20.062 20.736 0.000 0.000 -0.000 3/37800 530.0 17.799 19.624 20.284 0.000 0.000 -0.000 3/37800 540.0 17.421 19.205 19.852 0.000 0.000 -0.000 3/37800 550.0 17.060 18.805 19.439 0.000 0.000 -0.000 3/37800 560.0 16.715 18.421 19.044 0.000 0.000 -0.000 3/37800 570.0 16.383 18.053 18.664 0.000 0.000 -0.000 3/37800 580.0 16.065 17.701 18.301 0.000 0.000 -0.000 3/37800 590.0 15.760 17.362 17.951 0.000 0.000 -0.000 3/37800 600.0 15.466 17.037 17.616 0.000 0.000 -0.000 3/37800 610.0 15.184 16.724 17.293 0.000 0.000 -0.000 3/37800 620.0 14.912 16.422 16.982 0.000 0.000 -0.000 3/37800 630.0 14.650 16.132 16.682 0.000 0.000 -0.000 3/37800 640.0 14.397 15.852 16.394 0.000 0.000 -0.000 3/37800 650.0 14.154 15.582 16.115 0.000 0.000 -0.000 3/37800 660.0 13.918 15.321 15.846 0.000 0.000 -0.000 3/37800 670.0 13.691 15.070 15.586 0.000 0.000 -0.000 3/37800 680.0 13.471 14.826 15.335 0.000 0.000 -0.000 3/37800 690.0 13.258 14.591 15.092 0.000 0.000 -0.000 3/37800 700.0 13.052 14.363 14.857 0.000 0.000 -0.000 3/37800 710.0 12.853 14.143 14.629 0.000 0.000 -0.000 3/37800 720.0 12.660 13.929 14.409 0.000 0.000 -0.000 3/37800 730.0 12.472 13.722 14.195 0.000 0.000 -0.000 3/37800 740.0 12.291 13.521 13.988 0.000 0.000 -0.000 3/37800 750.0 12.114 13.326 13.786 0.000 0.000 -0.000 3/37800 760.0 11.943 13.137 13.591 0.000 0.000 -0.000 3/37800 770.0 11.777 12.953 13.401 0.000 0.000 -0.000 3/37800 780.0 11.615 12.775 13.217 0.000 0.000 -0.000 3/37800 790.0 11.458 12.601 13.038 0.000 0.000 -0.000 3/37800 800.0 11.306 12.433 12.863 0.000 0.000 -0.000 3/37800 810.0 11.157 12.268 12.694 0.000 0.000 -0.000 3/37800 820.0 11.012 12.109 12.529 0.000 0.000 -0.000 3/37800 830.0 10.871 11.953 12.368 0.000 0.000 -0.000 3/37800 840.0 10.734 11.802 12.211 0.000 0.000 -0.000 3/37800 850.0 10.600 11.654 12.059 0.000 0.000 -0.000 3/37800 860.0 10.470 11.510 11.910 0.000 0.000 -0.000 3/37800 870.0 10.343 11.370 11.765 0.000 0.000 -0.000 3/37800 880.0 10.219 11.233 11.624 0.000 0.000 -0.000 3/37800 890.0 10.098 11.099 11.486 0.000 0.000 -0.000 3/37800 900.0 9.980 10.969 11.351 0.000 0.000 -0.000 3/37800 910.0 9.864 10.842 11.220 0.000 0.000 -0.000 3/37800 920.0 9.752 10.718 11.091 0.000 0.000 -0.000 3/37800 930.0 9.642 10.596 10.966 0.000 0.000 -0.000 3/37800 940.0 9.534 10.478 10.844 0.000 0.000 -0.000 3/37800 950.0 9.429 10.362 10.724 0.000 0.000 -0.000 3/37800 960.0 9.326 10.248 10.607 0.000 0.000 -0.000 3/37800 970.0 9.226 10.138 10.492 0.000 0.000 -0.000 3/37800 980.0 9.127 10.029 10.380 0.000 0.000 -0.000 3/37800 990.0 9.031 9.923 10.270 0.000 0.000 -0.000 3/37800 1000.0 8.937 9.819 10.163 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m7109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:59:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|