----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:24:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.776150140000000 -3.776269670000000 0.000000000000000 b 3.776150140000000 3.776269670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.513505560000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *3 Li 0.81401701376537 0.18598298623463 0.75000000000000 6.941 4 Li 0.18598298623463 0.81401701376537 0.25000000000000 6.941 *5 H 0.71607682959433 0.07836374669560 0.07539379046039 1.008 6 H 0.71607682959433 0.07836374669560 0.42460620953961 1.008 7 H 0.07836374669560 0.71607682959432 0.57539379046039 1.008 8 H 0.07836374669560 0.71607682959432 0.92460620953961 1.008 9 H 0.92163625330440 0.28392317040568 0.07539379046039 1.008 10 H 0.28392317040567 0.92163625330440 0.57539379046039 1.008 11 H 0.92163625330440 0.28392317040568 0.42460620953961 1.008 12 H 0.28392317040567 0.92163625330440 0.92460620953961 1.008 *13 Cl 0.22994658301676 0.29295470724639 0.25000000000000 35.453 14 Cl 0.29295470724639 0.22994658301676 0.75000000000000 35.453 15 Cl 0.77005341698324 0.70704529275361 0.75000000000000 35.453 16 Cl 0.70704529275361 0.77005341698324 0.25000000000000 35.453 *17 O 0.23285299998994 0.76714700001006 0.51000461259643 15.999 18 O 0.76714700001006 0.23285299998994 0.01000461259643 15.999 19 O 0.76714700001006 0.23285299998994 0.48999538740357 15.999 20 O 0.23285299998994 0.76714700001006 0.98999538740357 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.552300280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.552539340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.513505560000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 *3 Li 0.50000000000000 0.68598298623463 0.75000000000000 6.941 > 3 4 Li 0.50000000000000 0.31401701376537 0.25000000000000 6.941 > 4 5 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 6 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 2 7 Li 0.00000000000000 0.18598298623463 0.75000000000000 6.941 > 3 8 Li 0.00000000000000 0.81401701376537 0.25000000000000 6.941 > 4 *9 H 0.39722028814496 0.68114345855064 0.07539379046039 1.008 > 5 10 H 0.39722028814496 0.68114345855064 0.42460620953961 1.008 > 6 11 H 0.39722028814496 0.31885654144936 0.57539379046039 1.008 > 7 12 H 0.39722028814496 0.31885654144936 0.92460620953961 1.008 > 8 13 H 0.60277971185504 0.68114345855064 0.07539379046039 1.008 > 9 14 H 0.60277971185504 0.31885654144936 0.57539379046039 1.008 > 10 15 H 0.60277971185504 0.68114345855064 0.42460620953961 1.008 > 11 16 H 0.60277971185504 0.31885654144936 0.92460620953961 1.008 > 12 17 H 0.89722028814496 0.18114345855064 0.07539379046039 1.008 > 5 18 H 0.89722028814496 0.18114345855064 0.42460620953961 1.008 > 6 19 H 0.89722028814496 0.81885654144936 0.57539379046039 1.008 > 7 20 H 0.89722028814496 0.81885654144936 0.92460620953961 1.008 > 8 21 H 0.10277971185504 0.18114345855064 0.07539379046039 1.008 > 9 22 H 0.10277971185504 0.81885654144936 0.57539379046039 1.008 > 10 23 H 0.10277971185504 0.18114345855064 0.42460620953961 1.008 > 11 24 H 0.10277971185504 0.81885654144936 0.92460620953961 1.008 > 12 *25 Cl 0.26145064513158 0.03150406211481 0.25000000000000 35.453 > 13 26 Cl 0.26145064513158 0.96849593788518 0.75000000000000 35.453 > 14 27 Cl 0.73854935486842 0.96849593788518 0.75000000000000 35.453 > 15 28 Cl 0.73854935486842 0.03150406211481 0.25000000000000 35.453 > 16 29 Cl 0.76145064513158 0.53150406211482 0.25000000000000 35.453 > 13 30 Cl 0.76145064513158 0.46849593788519 0.75000000000000 35.453 > 14 31 Cl 0.23854935486842 0.46849593788519 0.75000000000000 35.453 > 15 32 Cl 0.23854935486842 0.53150406211482 0.25000000000000 35.453 > 16 *33 O 0.50000000000000 0.26714700001006 0.51000461259643 15.999 > 17 34 O 0.50000000000000 0.73285299998994 0.01000461259643 15.999 > 18 35 O 0.50000000000000 0.73285299998994 0.48999538740357 15.999 > 19 36 O 0.50000000000000 0.26714700001006 0.98999538740357 15.999 > 20 37 O 0.00000000000000 0.76714700001006 0.51000461259643 15.999 > 17 38 O 0.00000000000000 0.23285299998994 0.01000461259643 15.999 > 18 39 O 0.00000000000000 0.23285299998994 0.48999538740357 15.999 > 19 40 O 0.00000000000000 0.76714700001006 0.98999538740357 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.552300280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.552539340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.027011119999999 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 2 4 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 2 *5 Li 0.50000000000000 0.68598298623463 0.37500000000000 6.941 > 3 6 Li 0.50000000000000 0.68598298623463 0.87500000000000 6.941 > 3 7 Li 0.50000000000000 0.31401701376537 0.12500000000000 6.941 > 4 8 Li 0.50000000000000 0.31401701376537 0.62500000000000 6.941 > 4 9 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 2 12 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 2 13 Li 0.00000000000000 0.18598298623463 0.37500000000000 6.941 > 3 14 Li 0.00000000000000 0.18598298623463 0.87500000000000 6.941 > 3 15 Li 0.00000000000000 0.81401701376537 0.12500000000000 6.941 > 4 16 Li 0.00000000000000 0.81401701376537 0.62500000000000 6.941 > 4 *17 H 0.39722028814496 0.68114345855064 0.03769689523020 1.008 > 5 18 H 0.39722028814496 0.68114345855064 0.53769689523020 1.008 > 5 19 H 0.39722028814496 0.68114345855064 0.21230310476980 1.008 > 6 20 H 0.39722028814496 0.68114345855064 0.71230310476980 1.008 > 6 21 H 0.39722028814496 0.31885654144936 0.28769689523019 1.008 > 7 22 H 0.39722028814496 0.31885654144936 0.78769689523020 1.008 > 7 23 H 0.39722028814496 0.31885654144936 0.46230310476981 1.008 > 8 24 H 0.39722028814496 0.31885654144936 0.96230310476980 1.008 > 8 25 H 0.60277971185504 0.68114345855064 0.03769689523020 1.008 > 9 26 H 0.60277971185504 0.68114345855064 0.53769689523020 1.008 > 9 27 H 0.60277971185504 0.31885654144936 0.28769689523019 1.008 > 10 28 H 0.60277971185504 0.31885654144936 0.78769689523020 1.008 > 10 29 H 0.60277971185504 0.68114345855064 0.21230310476980 1.008 > 11 30 H 0.60277971185504 0.68114345855064 0.71230310476980 1.008 > 11 31 H 0.60277971185504 0.31885654144936 0.46230310476981 1.008 > 12 32 H 0.60277971185504 0.31885654144936 0.96230310476980 1.008 > 12 33 H 0.89722028814496 0.18114345855064 0.03769689523020 1.008 > 5 34 H 0.89722028814496 0.18114345855064 0.53769689523020 1.008 > 5 35 H 0.89722028814496 0.18114345855064 0.21230310476980 1.008 > 6 36 H 0.89722028814496 0.18114345855064 0.71230310476980 1.008 > 6 37 H 0.89722028814496 0.81885654144936 0.28769689523019 1.008 > 7 38 H 0.89722028814496 0.81885654144936 0.78769689523020 1.008 > 7 39 H 0.89722028814496 0.81885654144936 0.46230310476981 1.008 > 8 40 H 0.89722028814496 0.81885654144936 0.96230310476980 1.008 > 8 41 H 0.10277971185504 0.18114345855064 0.03769689523020 1.008 > 9 42 H 0.10277971185504 0.18114345855064 0.53769689523020 1.008 > 9 43 H 0.10277971185504 0.81885654144936 0.28769689523019 1.008 > 10 44 H 0.10277971185504 0.81885654144936 0.78769689523020 1.008 > 10 45 H 0.10277971185504 0.18114345855064 0.21230310476980 1.008 > 11 46 H 0.10277971185504 0.18114345855064 0.71230310476980 1.008 > 11 47 H 0.10277971185504 0.81885654144936 0.46230310476981 1.008 > 12 48 H 0.10277971185504 0.81885654144936 0.96230310476980 1.008 > 12 *49 Cl 0.26145064513158 0.03150406211481 0.12500000000000 35.453 > 13 50 Cl 0.26145064513158 0.03150406211481 0.62500000000000 35.453 > 13 51 Cl 0.26145064513158 0.96849593788518 0.37500000000000 35.453 > 14 52 Cl 0.26145064513158 0.96849593788518 0.87500000000000 35.453 > 14 53 Cl 0.73854935486842 0.96849593788518 0.37500000000000 35.453 > 15 54 Cl 0.73854935486842 0.96849593788518 0.87500000000000 35.453 > 15 55 Cl 0.73854935486842 0.03150406211481 0.12500000000000 35.453 > 16 56 Cl 0.73854935486842 0.03150406211481 0.62500000000000 35.453 > 16 57 Cl 0.76145064513158 0.53150406211482 0.12500000000000 35.453 > 13 58 Cl 0.76145064513158 0.53150406211482 0.62500000000000 35.453 > 13 59 Cl 0.76145064513158 0.46849593788519 0.37500000000000 35.453 > 14 60 Cl 0.76145064513158 0.46849593788519 0.87500000000000 35.453 > 14 61 Cl 0.23854935486842 0.46849593788519 0.37500000000000 35.453 > 15 62 Cl 0.23854935486842 0.46849593788519 0.87500000000000 35.453 > 15 63 Cl 0.23854935486842 0.53150406211482 0.12500000000000 35.453 > 16 64 Cl 0.23854935486842 0.53150406211482 0.62500000000000 35.453 > 16 *65 O 0.50000000000000 0.26714700001006 0.25500230629822 15.999 > 17 66 O 0.50000000000000 0.26714700001006 0.75500230629822 15.999 > 17 67 O 0.50000000000000 0.73285299998994 0.00500230629822 15.999 > 18 68 O 0.50000000000000 0.73285299998994 0.50500230629822 15.999 > 18 69 O 0.50000000000000 0.73285299998994 0.24499769370178 15.999 > 19 70 O 0.50000000000000 0.73285299998994 0.74499769370178 15.999 > 19 71 O 0.50000000000000 0.26714700001006 0.49499769370178 15.999 > 20 72 O 0.50000000000000 0.26714700001006 0.99499769370178 15.999 > 20 73 O 0.00000000000000 0.76714700001006 0.25500230629822 15.999 > 17 74 O 0.00000000000000 0.76714700001006 0.75500230629822 15.999 > 17 75 O 0.00000000000000 0.23285299998994 0.00500230629822 15.999 > 18 76 O 0.00000000000000 0.23285299998994 0.50500230629822 15.999 > 18 77 O 0.00000000000000 0.23285299998994 0.24499769370178 15.999 > 19 78 O 0.00000000000000 0.23285299998994 0.74499769370178 15.999 > 19 79 O 0.00000000000000 0.76714700001006 0.49499769370178 15.999 > 20 80 O 0.00000000000000 0.76714700001006 0.99499769370178 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8300547 0.0000000 0.0000000 0.0000000 2.6947279 0.0000000 0.0000000 0.0000000 2.7592349 -------------------------- Born effective charges -------------------------- 1 Li 1.2611099 0.0000000 0.0000000 0.0000000 1.0240486 0.1256623 0.0000000 -0.0278700 1.2466458 2 Li 1.2611099 0.0000000 0.0000000 0.0000000 1.0240486 -0.1256623 0.0000000 0.0278700 1.2466458 3 Li 1.1972515 0.0000000 0.0000000 0.0000000 1.1970669 0.0000000 0.0000000 0.0000000 1.0292000 4 Li 1.1972515 0.0000000 0.0000000 0.0000000 1.1970669 0.0000000 0.0000000 0.0000000 1.0292000 5 H 0.7092272 0.2346602 -0.3001831 0.2614059 0.5294732 -0.1537292 -0.3357287 -0.1766361 0.6069484 6 H 0.7092272 0.2346602 0.3001831 0.2614059 0.5294732 0.1537292 0.3357287 0.1766361 0.6069484 7 H 0.7092272 -0.2346602 -0.3001831 -0.2614059 0.5294732 0.1537292 -0.3357287 0.1766361 0.6069484 8 H 0.7092272 -0.2346602 0.3001831 -0.2614059 0.5294732 -0.1537292 0.3357287 -0.1766361 0.6069484 9 H 0.7092272 -0.2346602 0.3001831 -0.2614059 0.5294732 -0.1537292 0.3357287 -0.1766361 0.6069484 10 H 0.7092272 0.2346602 0.3001831 0.2614059 0.5294732 0.1537292 0.3357287 0.1766361 0.6069484 11 H 0.7092272 -0.2346602 -0.3001831 -0.2614059 0.5294732 0.1537292 -0.3357287 0.1766361 0.6069484 12 H 0.7092272 0.2346602 -0.3001831 0.2614059 0.5294732 -0.1537292 -0.3357287 -0.1766361 0.6069484 13 Cl -1.2567003 0.1122826 0.0000000 0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 14 Cl -1.2567003 -0.1122826 0.0000000 -0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 15 Cl -1.2567003 0.1122826 0.0000000 0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 16 Cl -1.2567003 -0.1122826 0.0000000 -0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 17 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 -0.1184397 0.0000000 -0.1466430 -1.2098783 18 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 0.1184397 0.0000000 0.1466430 -1.2098783 19 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 -0.1184397 0.0000000 -0.1466430 -1.2098783 20 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 0.1184397 0.0000000 0.1466430 -1.2098783 ---------------------------------------------------------------------------- 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: 8268/8268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 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: 224 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 152 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 989), data: False |-- (152, 147), data: True |-- (152, 147), data: True |-- (152, 147), data: True |-- (160, 158), data: True |-- (176, 172), data: True |-- (224, 218), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.757 Solver_block: 200 / 320 - Time: 0.766 Solver_block: 300 / 320 - Time: 0.765 Solver_block: 320 / 320 - Time: 0.194 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.499 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 240/240 Permutation basis: 8268/8268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 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: 224 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 152 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 989), data: False |-- (152, 147), data: True |-- (152, 147), data: True |-- (152, 147), data: True |-- (160, 158), data: True |-- (176, 172), data: True |-- (224, 218), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) 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 2026-01-09 00:24:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:24:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.776150140000000 -3.776269670000000 0.000000000000000 b 3.776150140000000 3.776269670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.513505560000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 3 Li 0.81401701376537 0.18598298623463 0.75000000000000 6.941 4 Li 0.18598298623463 0.81401701376537 0.25000000000000 6.941 5 H 0.71607682959433 0.07836374669560 0.07539379046039 1.008 6 H 0.71607682959433 0.07836374669560 0.42460620953961 1.008 7 H 0.07836374669560 0.71607682959432 0.57539379046039 1.008 8 H 0.07836374669560 0.71607682959432 0.92460620953961 1.008 9 H 0.92163625330440 0.28392317040568 0.07539379046039 1.008 10 H 0.28392317040567 0.92163625330440 0.57539379046039 1.008 11 H 0.92163625330440 0.28392317040568 0.42460620953961 1.008 12 H 0.28392317040567 0.92163625330440 0.92460620953961 1.008 13 Cl 0.22994658301676 0.29295470724639 0.25000000000000 35.453 14 Cl 0.29295470724639 0.22994658301676 0.75000000000000 35.453 15 Cl 0.77005341698324 0.70704529275361 0.75000000000000 35.453 16 Cl 0.70704529275361 0.77005341698324 0.25000000000000 35.453 17 O 0.23285299998994 0.76714700001006 0.51000461259643 15.999 18 O 0.76714700001006 0.23285299998994 0.01000461259643 15.999 19 O 0.76714700001006 0.23285299998994 0.48999538740357 15.999 20 O 0.23285299998994 0.76714700001006 0.98999538740357 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.552300280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.552539340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.027011119999999 Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.68598298623463 0.37500000000000 6.941 > 5 6 Li 0.50000000000000 0.68598298623463 0.87500000000000 6.941 > 5 7 Li 0.50000000000000 0.31401701376537 0.12500000000000 6.941 > 7 8 Li 0.50000000000000 0.31401701376537 0.62500000000000 6.941 > 7 9 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 3 12 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 3 13 Li 0.00000000000000 0.18598298623463 0.37500000000000 6.941 > 5 14 Li 0.00000000000000 0.18598298623463 0.87500000000000 6.941 > 5 15 Li 0.00000000000000 0.81401701376537 0.12500000000000 6.941 > 7 16 Li 0.00000000000000 0.81401701376537 0.62500000000000 6.941 > 7 17 H 0.39722028814496 0.68114345855064 0.03769689523020 1.008 > 17 18 H 0.39722028814496 0.68114345855064 0.53769689523020 1.008 > 17 19 H 0.39722028814496 0.68114345855064 0.21230310476980 1.008 > 19 20 H 0.39722028814496 0.68114345855064 0.71230310476980 1.008 > 19 21 H 0.39722028814496 0.31885654144936 0.28769689523019 1.008 > 21 22 H 0.39722028814496 0.31885654144936 0.78769689523020 1.008 > 21 23 H 0.39722028814496 0.31885654144936 0.46230310476981 1.008 > 23 24 H 0.39722028814496 0.31885654144936 0.96230310476980 1.008 > 23 25 H 0.60277971185504 0.68114345855064 0.03769689523020 1.008 > 25 26 H 0.60277971185504 0.68114345855064 0.53769689523020 1.008 > 25 27 H 0.60277971185504 0.31885654144936 0.28769689523019 1.008 > 27 28 H 0.60277971185504 0.31885654144936 0.78769689523020 1.008 > 27 29 H 0.60277971185504 0.68114345855064 0.21230310476980 1.008 > 29 30 H 0.60277971185504 0.68114345855064 0.71230310476980 1.008 > 29 31 H 0.60277971185504 0.31885654144936 0.46230310476981 1.008 > 31 32 H 0.60277971185504 0.31885654144936 0.96230310476980 1.008 > 31 33 H 0.89722028814496 0.18114345855064 0.03769689523020 1.008 > 17 34 H 0.89722028814496 0.18114345855064 0.53769689523020 1.008 > 17 35 H 0.89722028814496 0.18114345855064 0.21230310476980 1.008 > 19 36 H 0.89722028814496 0.18114345855064 0.71230310476980 1.008 > 19 37 H 0.89722028814496 0.81885654144936 0.28769689523019 1.008 > 21 38 H 0.89722028814496 0.81885654144936 0.78769689523020 1.008 > 21 39 H 0.89722028814496 0.81885654144936 0.46230310476981 1.008 > 23 40 H 0.89722028814496 0.81885654144936 0.96230310476980 1.008 > 23 41 H 0.10277971185504 0.18114345855064 0.03769689523020 1.008 > 25 42 H 0.10277971185504 0.18114345855064 0.53769689523020 1.008 > 25 43 H 0.10277971185504 0.81885654144936 0.28769689523019 1.008 > 27 44 H 0.10277971185504 0.81885654144936 0.78769689523020 1.008 > 27 45 H 0.10277971185504 0.18114345855064 0.21230310476980 1.008 > 29 46 H 0.10277971185504 0.18114345855064 0.71230310476980 1.008 > 29 47 H 0.10277971185504 0.81885654144936 0.46230310476981 1.008 > 31 48 H 0.10277971185504 0.81885654144936 0.96230310476980 1.008 > 31 49 Cl 0.26145064513158 0.03150406211481 0.12500000000000 35.453 > 49 50 Cl 0.26145064513158 0.03150406211481 0.62500000000000 35.453 > 49 51 Cl 0.26145064513158 0.96849593788518 0.37500000000000 35.453 > 51 52 Cl 0.26145064513158 0.96849593788518 0.87500000000000 35.453 > 51 53 Cl 0.73854935486842 0.96849593788518 0.37500000000000 35.453 > 53 54 Cl 0.73854935486842 0.96849593788518 0.87500000000000 35.453 > 53 55 Cl 0.73854935486842 0.03150406211481 0.12500000000000 35.453 > 55 56 Cl 0.73854935486842 0.03150406211481 0.62500000000000 35.453 > 55 57 Cl 0.76145064513158 0.53150406211482 0.12500000000000 35.453 > 49 58 Cl 0.76145064513158 0.53150406211482 0.62500000000000 35.453 > 49 59 Cl 0.76145064513158 0.46849593788519 0.37500000000000 35.453 > 51 60 Cl 0.76145064513158 0.46849593788519 0.87500000000000 35.453 > 51 61 Cl 0.23854935486842 0.46849593788519 0.37500000000000 35.453 > 53 62 Cl 0.23854935486842 0.46849593788519 0.87500000000000 35.453 > 53 63 Cl 0.23854935486842 0.53150406211482 0.12500000000000 35.453 > 55 64 Cl 0.23854935486842 0.53150406211482 0.62500000000000 35.453 > 55 65 O 0.50000000000000 0.26714700001006 0.25500230629822 15.999 > 65 66 O 0.50000000000000 0.26714700001006 0.75500230629822 15.999 > 65 67 O 0.50000000000000 0.73285299998994 0.00500230629822 15.999 > 67 68 O 0.50000000000000 0.73285299998994 0.50500230629822 15.999 > 67 69 O 0.50000000000000 0.73285299998994 0.24499769370178 15.999 > 69 70 O 0.50000000000000 0.73285299998994 0.74499769370178 15.999 > 69 71 O 0.50000000000000 0.26714700001006 0.49499769370178 15.999 > 71 72 O 0.50000000000000 0.26714700001006 0.99499769370178 15.999 > 71 73 O 0.00000000000000 0.76714700001006 0.25500230629822 15.999 > 65 74 O 0.00000000000000 0.76714700001006 0.75500230629822 15.999 > 65 75 O 0.00000000000000 0.23285299998994 0.00500230629822 15.999 > 67 76 O 0.00000000000000 0.23285299998994 0.50500230629822 15.999 > 67 77 O 0.00000000000000 0.23285299998994 0.24499769370178 15.999 > 69 78 O 0.00000000000000 0.23285299998994 0.74499769370178 15.999 > 69 79 O 0.00000000000000 0.76714700001006 0.49499769370178 15.999 > 71 80 O 0.00000000000000 0.76714700001006 0.99499769370178 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8300547 0.0000000 0.0000000 0.0000000 2.6947279 0.0000000 0.0000000 0.0000000 2.7592349 -------------------------- Born effective charges -------------------------- 1 Li 1.2611099 0.0000000 0.0000000 0.0000000 1.0240486 0.1256623 0.0000000 -0.0278700 1.2466458 2 Li 1.2611099 0.0000000 0.0000000 0.0000000 1.0240486 -0.1256623 0.0000000 0.0278700 1.2466458 3 Li 1.1972515 0.0000000 0.0000000 0.0000000 1.1970669 0.0000000 0.0000000 0.0000000 1.0292000 4 Li 1.1972515 0.0000000 0.0000000 0.0000000 1.1970669 0.0000000 0.0000000 0.0000000 1.0292000 5 H 0.7092272 0.2346602 -0.3001831 0.2614059 0.5294732 -0.1537292 -0.3357287 -0.1766361 0.6069484 6 H 0.7092272 0.2346602 0.3001831 0.2614059 0.5294732 0.1537292 0.3357287 0.1766361 0.6069484 7 H 0.7092272 -0.2346602 -0.3001831 -0.2614059 0.5294732 0.1537292 -0.3357287 0.1766361 0.6069484 8 H 0.7092272 -0.2346602 0.3001831 -0.2614059 0.5294732 -0.1537292 0.3357287 -0.1766361 0.6069484 9 H 0.7092272 -0.2346602 0.3001831 -0.2614059 0.5294732 -0.1537292 0.3357287 -0.1766361 0.6069484 10 H 0.7092272 0.2346602 0.3001831 0.2614059 0.5294732 0.1537292 0.3357287 0.1766361 0.6069484 11 H 0.7092272 -0.2346602 -0.3001831 -0.2614059 0.5294732 0.1537292 -0.3357287 0.1766361 0.6069484 12 H 0.7092272 0.2346602 -0.3001831 0.2614059 0.5294732 -0.1537292 -0.3357287 -0.1766361 0.6069484 13 Cl -1.2567003 0.1122826 0.0000000 0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 14 Cl -1.2567003 -0.1122826 0.0000000 -0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 15 Cl -1.2567003 0.1122826 0.0000000 0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 16 Cl -1.2567003 -0.1122826 0.0000000 -0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 17 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 -0.1184397 0.0000000 -0.1466430 -1.2098783 18 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 0.1184397 0.0000000 0.1466430 -1.2098783 19 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 -0.1184397 0.0000000 -0.1466430 -1.2098783 20 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 0.1184397 0.0000000 0.1466430 -1.2098783 ---------------------------------------------------------------------------- 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[ 5, 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] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000071 (yyy) 0.00000071 (yyy) 0.00000071 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (zy) 0.00000007 (zy) 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 2026-01-09 00:24:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:24:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.776150140000000 -3.776269670000000 0.000000000000000 b 3.776150140000000 3.776269670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.513505560000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 3 Li 0.81401701376537 0.18598298623463 0.75000000000000 6.941 4 Li 0.18598298623463 0.81401701376537 0.25000000000000 6.941 5 H 0.71607682959433 0.07836374669560 0.07539379046039 1.008 6 H 0.71607682959433 0.07836374669560 0.42460620953961 1.008 7 H 0.07836374669560 0.71607682959432 0.57539379046039 1.008 8 H 0.07836374669560 0.71607682959432 0.92460620953961 1.008 9 H 0.92163625330440 0.28392317040568 0.07539379046039 1.008 10 H 0.28392317040567 0.92163625330440 0.57539379046039 1.008 11 H 0.92163625330440 0.28392317040568 0.42460620953961 1.008 12 H 0.28392317040567 0.92163625330440 0.92460620953961 1.008 13 Cl 0.22994658301676 0.29295470724639 0.25000000000000 35.453 14 Cl 0.29295470724639 0.22994658301676 0.75000000000000 35.453 15 Cl 0.77005341698324 0.70704529275361 0.75000000000000 35.453 16 Cl 0.70704529275361 0.77005341698324 0.25000000000000 35.453 17 O 0.23285299998994 0.76714700001006 0.51000461259643 15.999 18 O 0.76714700001006 0.23285299998994 0.01000461259643 15.999 19 O 0.76714700001006 0.23285299998994 0.48999538740357 15.999 20 O 0.23285299998994 0.76714700001006 0.98999538740357 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.552300280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.552539340000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.027011119999999 Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.68598298623463 0.37500000000000 6.941 > 5 6 Li 0.50000000000000 0.68598298623463 0.87500000000000 6.941 > 5 7 Li 0.50000000000000 0.31401701376537 0.12500000000000 6.941 > 7 8 Li 0.50000000000000 0.31401701376537 0.62500000000000 6.941 > 7 9 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 3 12 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 3 13 Li 0.00000000000000 0.18598298623463 0.37500000000000 6.941 > 5 14 Li 0.00000000000000 0.18598298623463 0.87500000000000 6.941 > 5 15 Li 0.00000000000000 0.81401701376537 0.12500000000000 6.941 > 7 16 Li 0.00000000000000 0.81401701376537 0.62500000000000 6.941 > 7 17 H 0.39722028814496 0.68114345855064 0.03769689523020 1.008 > 17 18 H 0.39722028814496 0.68114345855064 0.53769689523020 1.008 > 17 19 H 0.39722028814496 0.68114345855064 0.21230310476980 1.008 > 19 20 H 0.39722028814496 0.68114345855064 0.71230310476980 1.008 > 19 21 H 0.39722028814496 0.31885654144936 0.28769689523019 1.008 > 21 22 H 0.39722028814496 0.31885654144936 0.78769689523020 1.008 > 21 23 H 0.39722028814496 0.31885654144936 0.46230310476981 1.008 > 23 24 H 0.39722028814496 0.31885654144936 0.96230310476980 1.008 > 23 25 H 0.60277971185504 0.68114345855064 0.03769689523020 1.008 > 25 26 H 0.60277971185504 0.68114345855064 0.53769689523020 1.008 > 25 27 H 0.60277971185504 0.31885654144936 0.28769689523019 1.008 > 27 28 H 0.60277971185504 0.31885654144936 0.78769689523020 1.008 > 27 29 H 0.60277971185504 0.68114345855064 0.21230310476980 1.008 > 29 30 H 0.60277971185504 0.68114345855064 0.71230310476980 1.008 > 29 31 H 0.60277971185504 0.31885654144936 0.46230310476981 1.008 > 31 32 H 0.60277971185504 0.31885654144936 0.96230310476980 1.008 > 31 33 H 0.89722028814496 0.18114345855064 0.03769689523020 1.008 > 17 34 H 0.89722028814496 0.18114345855064 0.53769689523020 1.008 > 17 35 H 0.89722028814496 0.18114345855064 0.21230310476980 1.008 > 19 36 H 0.89722028814496 0.18114345855064 0.71230310476980 1.008 > 19 37 H 0.89722028814496 0.81885654144936 0.28769689523019 1.008 > 21 38 H 0.89722028814496 0.81885654144936 0.78769689523020 1.008 > 21 39 H 0.89722028814496 0.81885654144936 0.46230310476981 1.008 > 23 40 H 0.89722028814496 0.81885654144936 0.96230310476980 1.008 > 23 41 H 0.10277971185504 0.18114345855064 0.03769689523020 1.008 > 25 42 H 0.10277971185504 0.18114345855064 0.53769689523020 1.008 > 25 43 H 0.10277971185504 0.81885654144936 0.28769689523019 1.008 > 27 44 H 0.10277971185504 0.81885654144936 0.78769689523020 1.008 > 27 45 H 0.10277971185504 0.18114345855064 0.21230310476980 1.008 > 29 46 H 0.10277971185504 0.18114345855064 0.71230310476980 1.008 > 29 47 H 0.10277971185504 0.81885654144936 0.46230310476981 1.008 > 31 48 H 0.10277971185504 0.81885654144936 0.96230310476980 1.008 > 31 49 Cl 0.26145064513158 0.03150406211481 0.12500000000000 35.453 > 49 50 Cl 0.26145064513158 0.03150406211481 0.62500000000000 35.453 > 49 51 Cl 0.26145064513158 0.96849593788518 0.37500000000000 35.453 > 51 52 Cl 0.26145064513158 0.96849593788518 0.87500000000000 35.453 > 51 53 Cl 0.73854935486842 0.96849593788518 0.37500000000000 35.453 > 53 54 Cl 0.73854935486842 0.96849593788518 0.87500000000000 35.453 > 53 55 Cl 0.73854935486842 0.03150406211481 0.12500000000000 35.453 > 55 56 Cl 0.73854935486842 0.03150406211481 0.62500000000000 35.453 > 55 57 Cl 0.76145064513158 0.53150406211482 0.12500000000000 35.453 > 49 58 Cl 0.76145064513158 0.53150406211482 0.62500000000000 35.453 > 49 59 Cl 0.76145064513158 0.46849593788519 0.37500000000000 35.453 > 51 60 Cl 0.76145064513158 0.46849593788519 0.87500000000000 35.453 > 51 61 Cl 0.23854935486842 0.46849593788519 0.37500000000000 35.453 > 53 62 Cl 0.23854935486842 0.46849593788519 0.87500000000000 35.453 > 53 63 Cl 0.23854935486842 0.53150406211482 0.12500000000000 35.453 > 55 64 Cl 0.23854935486842 0.53150406211482 0.62500000000000 35.453 > 55 65 O 0.50000000000000 0.26714700001006 0.25500230629822 15.999 > 65 66 O 0.50000000000000 0.26714700001006 0.75500230629822 15.999 > 65 67 O 0.50000000000000 0.73285299998994 0.00500230629822 15.999 > 67 68 O 0.50000000000000 0.73285299998994 0.50500230629822 15.999 > 67 69 O 0.50000000000000 0.73285299998994 0.24499769370178 15.999 > 69 70 O 0.50000000000000 0.73285299998994 0.74499769370178 15.999 > 69 71 O 0.50000000000000 0.26714700001006 0.49499769370178 15.999 > 71 72 O 0.50000000000000 0.26714700001006 0.99499769370178 15.999 > 71 73 O 0.00000000000000 0.76714700001006 0.25500230629822 15.999 > 65 74 O 0.00000000000000 0.76714700001006 0.75500230629822 15.999 > 65 75 O 0.00000000000000 0.23285299998994 0.00500230629822 15.999 > 67 76 O 0.00000000000000 0.23285299998994 0.50500230629822 15.999 > 67 77 O 0.00000000000000 0.23285299998994 0.24499769370178 15.999 > 69 78 O 0.00000000000000 0.23285299998994 0.74499769370178 15.999 > 69 79 O 0.00000000000000 0.76714700001006 0.49499769370178 15.999 > 71 80 O 0.00000000000000 0.76714700001006 0.99499769370178 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8300547 0.0000000 0.0000000 0.0000000 2.6947279 0.0000000 0.0000000 0.0000000 2.7592349 -------------------------- Born effective charges -------------------------- 1 Li 1.2611099 0.0000000 0.0000000 0.0000000 1.0240486 0.1256623 0.0000000 -0.0278700 1.2466458 2 Li 1.2611099 0.0000000 0.0000000 0.0000000 1.0240486 -0.1256623 0.0000000 0.0278700 1.2466458 3 Li 1.1972515 0.0000000 0.0000000 0.0000000 1.1970669 0.0000000 0.0000000 0.0000000 1.0292000 4 Li 1.1972515 0.0000000 0.0000000 0.0000000 1.1970669 0.0000000 0.0000000 0.0000000 1.0292000 5 H 0.7092272 0.2346602 -0.3001831 0.2614059 0.5294732 -0.1537292 -0.3357287 -0.1766361 0.6069484 6 H 0.7092272 0.2346602 0.3001831 0.2614059 0.5294732 0.1537292 0.3357287 0.1766361 0.6069484 7 H 0.7092272 -0.2346602 -0.3001831 -0.2614059 0.5294732 0.1537292 -0.3357287 0.1766361 0.6069484 8 H 0.7092272 -0.2346602 0.3001831 -0.2614059 0.5294732 -0.1537292 0.3357287 -0.1766361 0.6069484 9 H 0.7092272 -0.2346602 0.3001831 -0.2614059 0.5294732 -0.1537292 0.3357287 -0.1766361 0.6069484 10 H 0.7092272 0.2346602 0.3001831 0.2614059 0.5294732 0.1537292 0.3357287 0.1766361 0.6069484 11 H 0.7092272 -0.2346602 -0.3001831 -0.2614059 0.5294732 0.1537292 -0.3357287 0.1766361 0.6069484 12 H 0.7092272 0.2346602 -0.3001831 0.2614059 0.5294732 -0.1537292 -0.3357287 -0.1766361 0.6069484 13 Cl -1.2567003 0.1122826 0.0000000 0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 14 Cl -1.2567003 -0.1122826 0.0000000 -0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 15 Cl -1.2567003 0.1122826 0.0000000 0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 16 Cl -1.2567003 -0.1122826 0.0000000 -0.0551473 -1.0284317 0.0000000 0.0000000 0.0000000 -1.1419414 17 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 -0.1184397 0.0000000 -0.1466430 -1.2098783 18 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 0.1184397 0.0000000 0.1466430 -1.2098783 19 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 -0.1184397 0.0000000 -0.1466430 -1.2098783 20 O -1.3909347 0.0000000 0.0000000 0.0000000 -1.1410725 0.1184397 0.0000000 0.1466430 -1.2098783 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000071 (yyy) 0.00000071 (yyy) 0.00000071 (yyy) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] 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: 0.69, Number of G-points: 319, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.984 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.095 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 9.659 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 13.833 ( 0.000 0.000 0.000) 0.000 15.115 ( 0.000 0.000 0.000) 0.000 15.502 ( 0.000 0.000 0.000) 0.000 15.736 ( 0.000 0.000 0.000) 0.000 17.254 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 0.000) 0.000 18.107 ( 0.000 0.000 0.000) 0.000 18.332 ( 0.000 0.000 0.000) 0.000 19.255 ( 0.000 0.000 0.000) 0.000 19.257 ( 0.000 0.000 0.000) 0.000 20.566 ( 0.000 0.000 0.000) 0.000 21.426 ( 0.000 0.000 0.000) 0.000 22.163 ( 0.000 0.000 0.000) 0.000 23.355 ( 0.000 0.000 0.000) 0.000 23.945 ( 0.000 0.000 0.000) 0.000 46.688 ( 0.000 0.000 0.000) 0.000 47.774 ( 0.000 0.000 0.000) 0.000 47.978 ( 0.000 0.000 0.000) 0.000 48.628 ( 0.000 0.000 0.000) 0.000 97.939 ( 0.000 0.000 0.000) 0.000 97.956 ( 0.000 0.000 0.000) 0.000 98.576 ( 0.000 0.000 0.000) 0.000 98.788 ( 0.000 0.000 0.000) 0.000 98.904 ( 0.000 0.000 0.000) 0.000 98.992 ( 0.000 0.000 0.000) 0.000 99.371 ( 0.000 0.000 0.000) 0.000 99.821 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 12.722 -22.389 0.000) 25.751 0.700 ( 22.928 -23.925 0.000) 33.137 1.087 ( 35.038 -36.594 0.000) 50.663 2.857 ( 6.252 -0.265 0.000) 6.258 3.093 ( 2.192 1.164 0.000) 2.481 3.363 ( -4.224 0.450 0.000) 4.248 3.625 ( -0.177 3.612 0.000) 3.616 3.779 ( -14.314 -0.622 0.000) 14.327 4.077 ( -0.259 -0.570 0.000) 0.626 4.144 ( -5.953 -3.499 0.000) 6.905 4.186 ( -2.027 3.904 0.000) 4.399 4.242 ( -3.704 2.809 0.000) 4.649 4.321 ( 2.269 -7.118 0.000) 7.470 4.480 ( -3.862 2.708 0.000) 4.717 4.680 ( 2.262 -0.625 0.000) 2.347 4.798 ( 3.426 -3.227 0.000) 4.707 5.134 ( -3.478 0.638 0.000) 3.536 5.172 ( -2.640 -0.245 0.000) 2.652 5.304 ( -1.264 -1.266 0.000) 1.789 5.429 ( 4.981 -8.678 0.000) 10.006 6.618 ( -0.262 -2.943 0.000) 2.954 6.634 ( 0.008 9.115 0.000) 9.115 6.965 ( -2.058 3.166 0.000) 3.777 7.031 ( 50.703 56.984 0.000) 76.275 7.061 ( 2.335 -3.650 0.000) 4.333 7.373 ( -3.087 3.867 0.000) 4.948 7.730 ( 9.390 -6.069 0.000) 11.180 7.973 ( 2.869 4.582 0.000) 5.407 8.101 ( -1.692 -3.697 0.000) 4.065 8.795 ( 12.079 -1.485 0.000) 12.170 9.355 ( -4.652 -3.024 0.000) 5.549 9.679 ( 0.788 -1.631 0.000) 1.811 12.842 ( -0.022 0.215 0.000) 0.216 14.287 ( -30.036 -28.351 0.000) 41.304 15.072 ( -4.684 -0.512 0.000) 4.712 15.511 ( -1.249 -1.384 0.000) 1.864 15.865 ( 15.433 -1.065 0.000) 15.470 17.389 ( 2.688 -2.989 0.000) 4.020 17.686 ( 30.089 24.907 0.000) 39.060 18.155 ( 2.707 -3.706 0.000) 4.589 18.270 ( -8.386 -0.073 0.000) 8.386 19.210 ( -3.515 2.872 0.000) 4.539 19.273 ( -0.912 -3.503 0.000) 3.620 20.537 ( -0.945 2.667 0.000) 2.829 21.336 ( -8.724 4.835 0.000) 9.975 22.193 ( 1.388 -2.501 0.000) 2.861 23.767 ( -16.554 0.784 0.000) 16.572 24.335 ( -36.586 -47.558 0.000) 60.003 46.732 ( 6.097 0.141 0.000) 6.099 47.926 ( -5.083 -7.403 0.000) 8.980 47.944 ( -5.167 -0.689 0.000) 5.213 48.613 ( -3.967 -2.013 0.000) 4.449 97.942 ( 0.422 0.104 0.000) 0.435 97.955 ( -0.115 0.040 0.000) 0.122 98.577 ( -0.494 -0.744 0.000) 0.893 98.775 ( -0.168 1.510 0.000) 1.520 98.927 ( 1.728 -1.315 0.000) 2.171 99.014 ( 0.642 -2.254 0.000) 2.343 99.652 ( 12.548 15.440 0.000) 19.895 100.891 ( 27.264 27.682 0.000) 38.854 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 11.257 -20.277 0.000) 23.193 1.368 ( 21.390 -22.188 0.000) 30.820 2.064 ( 28.963 -29.865 0.000) 41.602 2.951 ( 6.909 2.163 0.000) 7.239 3.111 ( 3.606 2.562 0.000) 4.424 3.266 ( -5.509 0.518 0.000) 5.533 3.550 ( -7.133 2.410 0.000) 7.529 3.664 ( -0.583 -2.600 0.000) 2.665 3.988 ( -11.409 7.102 0.000) 13.439 4.034 ( -1.482 3.209 0.000) 3.534 4.140 ( -5.099 -6.213 0.000) 8.037 4.162 ( -0.373 5.036 0.000) 5.050 4.380 ( -3.757 3.338 0.000) 5.025 4.440 ( 3.029 -3.629 0.000) 4.727 4.745 ( 3.599 -2.480 0.000) 4.370 4.868 ( 1.509 1.728 0.000) 2.294 5.114 ( 3.776 -0.509 0.000) 3.810 5.121 ( -4.497 -0.283 0.000) 4.506 5.295 ( -2.483 -1.090 0.000) 2.711 5.671 ( 6.565 -10.878 0.000) 12.706 6.418 ( -6.707 12.623 0.000) 14.294 6.665 ( -1.138 -4.515 0.000) 4.656 6.871 ( -2.280 4.554 0.000) 5.093 6.931 ( 20.185 28.529 0.000) 34.948 7.178 ( 3.577 -5.764 0.000) 6.784 7.284 ( 0.385 4.578 0.000) 4.594 7.913 ( 1.214 -5.815 0.000) 5.940 7.932 ( 4.045 7.834 0.000) 8.817 8.223 ( 6.505 -9.524 0.000) 11.533 9.034 ( 15.199 -2.085 0.000) 15.341 9.326 ( -4.527 -2.374 0.000) 5.112 9.716 ( -1.034 -3.141 0.000) 3.307 12.839 ( 0.018 0.204 0.000) 0.205 14.256 ( -13.918 -11.476 0.000) 18.039 15.028 ( -3.486 -1.997 0.000) 4.017 15.499 ( -1.751 -0.248 0.000) 1.768 16.174 ( 22.256 -1.878 0.000) 22.335 17.507 ( 4.904 -5.032 0.000) 7.026 17.785 ( 18.169 10.455 0.000) 20.962 18.096 ( -15.480 -0.622 0.000) 15.493 18.284 ( 4.240 -6.297 0.000) 7.591 19.075 ( -6.247 5.333 0.000) 8.214 19.341 ( 0.911 -6.239 0.000) 6.305 20.474 ( -1.060 3.531 0.000) 3.687 21.055 ( -16.588 7.319 0.000) 18.131 22.264 ( 1.874 -3.426 0.000) 3.905 23.513 ( -9.289 6.886 0.000) 11.563 24.463 ( -13.737 -19.804 0.000) 24.102 46.857 ( 11.196 0.394 0.000) 11.203 47.848 ( -9.777 -1.224 0.000) 9.854 47.978 ( 3.846 -0.849 0.000) 3.939 48.569 ( -7.378 -3.354 0.000) 8.105 97.944 ( 0.201 0.270 0.000) 0.336 97.954 ( 0.131 0.030 0.000) 0.134 98.584 ( -0.833 -1.507 0.000) 1.722 98.742 ( -0.114 2.656 0.000) 2.659 98.989 ( 3.007 -2.134 0.000) 3.688 99.071 ( 0.709 -3.893 0.000) 3.957 99.593 ( 4.246 9.222 0.000) 10.152 100.883 ( 11.447 12.088 0.000) 16.648 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 8.431 -16.155 0.000) 18.222 1.971 ( 18.757 -19.176 0.000) 26.825 2.662 ( 8.321 -7.348 0.000) 11.101 2.977 ( 1.340 4.106 0.000) 4.319 3.104 ( 1.685 4.861 0.000) 5.145 3.288 ( 7.868 -7.267 0.000) 10.711 3.490 ( -1.636 -5.726 0.000) 5.955 3.701 ( -11.765 6.894 0.000) 13.636 3.739 ( 5.688 -1.360 0.000) 5.848 3.981 ( -1.031 1.345 0.000) 1.695 4.088 ( 1.226 5.115 0.000) 5.260 4.139 ( -4.257 -2.406 0.000) 4.890 4.266 ( -5.701 2.694 0.000) 6.306 4.516 ( 0.683 -3.009 0.000) 3.085 4.803 ( -3.774 2.560 0.000) 4.560 4.850 ( 4.517 -3.082 0.000) 5.469 5.062 ( -3.978 -0.616 0.000) 4.025 5.245 ( 6.490 -4.562 0.000) 7.933 5.260 ( -3.191 0.109 0.000) 3.193 5.906 ( 2.793 -10.852 0.000) 11.205 6.104 ( -7.049 14.277 0.000) 15.923 6.707 ( -2.508 -4.540 0.000) 5.187 6.779 ( 7.919 19.688 0.000) 21.221 6.782 ( -0.294 4.455 0.000) 4.464 7.245 ( 2.428 3.973 0.000) 4.656 7.317 ( 2.825 -6.057 0.000) 6.684 7.866 ( 3.477 8.270 0.000) 8.971 7.979 ( -0.797 -4.238 0.000) 4.313 8.496 ( 8.515 -9.451 0.000) 12.721 9.267 ( 16.093 2.983 0.000) 16.368 9.300 ( -4.631 -4.129 0.000) 6.204 9.728 ( -5.320 -4.504 0.000) 6.971 12.837 ( 0.059 0.070 0.000) 0.092 14.221 ( -7.224 -5.185 0.000) 8.892 15.026 ( -1.534 -2.402 0.000) 2.850 15.473 ( -1.377 0.466 0.000) 1.454 16.543 ( 23.713 -1.264 0.000) 23.747 17.650 ( 2.797 -3.194 0.000) 4.246 17.864 ( -16.675 -3.478 0.000) 17.034 17.893 ( 11.384 5.062 0.000) 12.459 18.443 ( 3.871 -6.294 0.000) 7.389 18.886 ( -6.942 6.294 0.000) 9.371 19.494 ( 6.102 -7.609 0.000) 9.754 20.413 ( -0.648 2.683 0.000) 2.760 20.662 ( -19.503 8.707 0.000) 21.359 22.337 ( 1.458 -2.706 0.000) 3.074 23.310 ( -4.429 6.666 0.000) 8.003 24.517 ( -7.017 -8.727 0.000) 11.198 47.040 ( 14.414 0.757 0.000) 14.434 47.697 ( -13.172 -1.478 0.000) 13.255 48.061 ( 7.765 1.495 0.000) 7.907 48.497 ( -9.208 -3.634 0.000) 9.900 97.942 ( 0.043 0.150 0.000) 0.156 97.955 ( 0.115 0.185 0.000) 0.218 98.598 ( -0.981 -2.220 0.000) 2.427 98.698 ( 0.212 3.211 0.000) 3.218 99.070 ( 3.602 -1.980 0.000) 4.111 99.139 ( -0.198 -4.513 0.000) 4.517 99.513 ( 1.338 6.942 0.000) 7.070 100.873 ( 5.315 5.885 0.000) 7.930 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 3.641 -7.303 0.000) 8.160 2.455 ( 12.542 -12.607 0.000) 17.783 2.688 ( -1.127 2.096 0.000) 2.379 2.898 ( -0.615 3.561 0.000) 3.614 2.979 ( -5.307 7.468 0.000) 9.161 3.456 ( -0.567 -4.086 0.000) 4.125 3.502 ( -4.015 2.761 0.000) 4.873 3.713 ( 10.138 -6.658 0.000) 12.128 3.858 ( 7.190 -0.771 0.000) 7.231 3.941 ( -4.644 -0.465 0.000) 4.667 4.071 ( 4.339 2.359 0.000) 4.939 4.095 ( -2.149 0.492 0.000) 2.205 4.145 ( -6.596 0.682 0.000) 6.632 4.552 ( -0.395 -1.647 0.000) 1.693 4.715 ( -3.037 1.481 0.000) 3.379 4.942 ( 2.693 -0.971 0.000) 2.863 5.034 ( -1.486 -1.255 0.000) 1.945 5.209 ( -2.069 0.810 0.000) 2.222 5.395 ( 2.991 -4.748 0.000) 5.612 5.813 ( -4.739 8.228 0.000) 9.495 6.092 ( 1.903 -5.844 0.000) 6.146 6.618 ( 1.700 9.751 0.000) 9.898 6.721 ( -2.709 -2.504 0.000) 3.689 6.740 ( 1.614 2.459 0.000) 2.941 7.231 ( 1.109 1.541 0.000) 1.899 7.419 ( 0.987 -3.159 0.000) 3.309 7.806 ( 1.439 4.106 0.000) 4.351 8.019 ( -0.100 -1.667 0.000) 1.670 8.691 ( 3.567 -3.728 0.000) 5.159 9.287 ( -1.341 -1.168 0.000) 1.779 9.428 ( 9.245 2.503 0.000) 9.578 9.696 ( -5.936 -3.381 0.000) 6.831 12.838 ( 0.033 0.003 0.000) 0.033 14.200 ( -2.303 -1.519 0.000) 2.759 15.040 ( -0.353 -1.102 0.000) 1.157 15.452 ( -0.540 0.331 0.000) 0.634 16.866 ( 15.571 -0.396 0.000) 15.576 17.530 ( -12.269 0.458 0.000) 12.278 17.866 ( 1.123 -4.049 0.000) 4.202 17.959 ( 3.891 1.564 0.000) 4.194 18.555 ( 1.563 -2.706 0.000) 3.125 18.724 ( -3.577 3.419 0.000) 4.948 19.727 ( 9.157 -6.292 0.000) 11.110 20.275 ( -14.240 6.819 0.000) 15.789 20.380 ( -0.201 0.973 0.000) 0.993 22.380 ( 0.536 -1.005 0.000) 1.139 23.197 ( -1.292 2.661 0.000) 2.959 24.527 ( -2.327 -2.419 0.000) 3.357 47.241 ( 13.116 0.933 0.000) 13.149 47.518 ( -12.628 -1.215 0.000) 12.686 48.146 ( 5.555 1.401 0.000) 5.729 48.420 ( -5.934 -2.081 0.000) 6.288 97.942 ( 0.052 0.008 0.000) 0.053 97.952 ( -0.023 0.141 0.000) 0.143 98.620 ( -0.859 -2.547 0.000) 2.688 98.657 ( 0.571 2.934 0.000) 2.989 99.137 ( 2.240 -0.519 0.000) 2.299 99.189 ( -0.838 -2.973 0.000) 3.089 99.443 ( 0.234 3.406 0.000) 3.414 100.867 ( 1.573 1.801 0.000) 2.391 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 27.102 -0.000 0.000) 27.102 0.978 ( 32.632 -0.000 0.000) 32.632 1.462 ( 46.524 -0.000 0.000) 46.524 2.983 ( 10.245 -0.000 0.000) 10.245 3.150 ( 4.307 -0.000 0.000) 4.307 3.292 ( -8.088 0.000 0.000) 8.088 3.488 ( -5.660 0.000 0.000) 5.660 3.600 ( -10.501 0.000 0.000) 10.501 4.054 ( -0.693 0.000 0.000) 0.693 4.102 ( -5.371 0.000 0.000) 5.371 4.128 ( -12.311 0.000 0.000) 12.311 4.223 ( 0.483 -0.000 0.000) 0.483 4.399 ( 10.202 -0.000 0.000) 10.202 4.430 ( -5.222 0.000 0.000) 5.222 4.701 ( 1.384 -0.000 0.000) 1.384 4.904 ( 12.585 -0.000 0.000) 12.585 5.057 ( -5.712 0.000 0.000) 5.712 5.119 ( -4.159 0.000 0.000) 4.159 5.267 ( -2.372 0.000 0.000) 2.372 5.525 ( 12.468 -0.000 0.000) 12.468 6.592 ( -0.402 0.000 0.000) 0.402 6.627 ( -8.792 0.000 0.000) 8.792 6.995 ( -1.670 0.000 0.000) 1.670 7.035 ( 2.613 -0.000 0.000) 2.613 7.365 ( 1.542 -0.000 0.000) 1.542 7.484 ( -5.433 0.000 0.000) 5.433 8.038 ( 3.327 -0.000 0.000) 3.327 8.066 ( 4.641 -0.000 0.000) 4.641 8.184 ( 4.279 -0.000 0.000) 4.279 8.997 ( 15.014 -0.000 0.000) 15.014 9.235 ( -3.135 0.000 0.000) 3.135 9.712 ( 2.678 -0.000 0.000) 2.678 12.843 ( -0.039 0.000 0.000) 0.039 13.836 ( 0.320 -0.000 0.000) 0.320 14.991 ( -4.635 0.000 0.000) 4.635 15.496 ( -0.293 0.000 0.000) 0.293 16.144 ( 23.095 -0.000 0.000) 23.095 17.425 ( 5.135 -0.000 0.000) 5.135 18.089 ( -15.870 0.000 0.000) 15.870 18.128 ( -1.060 0.000 0.000) 1.060 18.186 ( 8.774 -0.000 0.000) 8.774 19.156 ( -6.487 0.000 0.000) 6.487 19.190 ( -1.547 0.000 0.000) 1.547 20.533 ( -2.250 0.000 0.000) 2.250 21.177 ( -17.664 0.000 0.000) 17.664 22.207 ( 2.866 -0.000 0.000) 2.866 23.310 ( -3.526 0.000 0.000) 3.526 24.089 ( 8.509 -0.000 0.000) 8.509 46.864 ( 11.403 -0.000 0.000) 11.403 47.829 ( -9.752 0.000 0.000) 9.752 47.906 ( 8.722 -0.000 0.000) 8.722 48.519 ( -7.110 0.000 0.000) 7.110 97.951 ( 0.649 -0.000 0.000) 0.649 97.952 ( -0.270 0.000 0.000) 0.270 98.560 ( -1.039 0.000 0.000) 1.039 98.782 ( -0.364 0.000 0.000) 0.364 98.958 ( 3.716 -0.000 0.000) 3.716 99.009 ( 1.295 -0.000 0.000) 1.295 99.811 ( -0.851 0.000 0.000) 0.851 101.280 ( -5.354 0.000 0.000) 5.354 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 26.266 -1.560 0.000) 26.312 1.520 ( 29.400 -9.275 0.000) 30.829 2.209 ( 32.670 -15.306 0.000) 36.077 3.103 ( 6.066 3.192 0.000) 6.854 3.174 ( -3.316 -1.639 0.000) 3.699 3.212 ( 5.489 1.991 0.000) 5.839 3.471 ( -0.524 0.267 0.000) 0.588 3.557 ( -0.798 -6.787 0.000) 6.834 3.881 ( -15.137 4.318 0.000) 15.741 4.000 ( -5.223 0.568 0.000) 5.254 4.050 ( -2.940 -2.201 0.000) 3.673 4.211 ( -0.209 2.446 0.000) 2.455 4.324 ( -8.198 1.075 0.000) 8.268 4.510 ( 6.111 1.837 0.000) 6.381 4.741 ( 1.549 -3.102 0.000) 3.468 4.919 ( -3.080 4.365 0.000) 5.342 5.058 ( -3.650 0.261 0.000) 3.659 5.133 ( 6.319 -5.380 0.000) 8.299 5.234 ( -3.368 -1.132 0.000) 3.554 5.726 ( 12.566 -0.540 0.000) 12.577 6.407 ( -13.208 5.539 0.000) 14.323 6.599 ( -1.050 -2.150 0.000) 2.393 6.922 ( -1.009 4.577 0.000) 4.687 7.134 ( 2.841 -5.337 0.000) 6.046 7.337 ( -3.071 8.665 0.000) 9.193 7.418 ( 5.975 4.664 0.000) 7.580 8.083 ( 5.388 11.525 0.000) 12.723 8.098 ( 4.657 5.052 0.000) 6.870 8.167 ( 6.658 -6.341 0.000) 9.195 9.199 ( -2.813 -1.595 0.000) 3.234 9.273 ( 17.541 -1.846 0.000) 17.638 9.730 ( 1.518 2.017 0.000) 2.525 12.842 ( 0.028 0.148 0.000) 0.151 13.937 ( -2.901 -10.933 0.000) 11.311 14.952 ( -2.361 -1.753 0.000) 2.941 15.490 ( -0.276 0.408 0.000) 0.492 16.520 ( 26.590 -0.329 0.000) 26.592 17.537 ( 6.993 -2.856 0.000) 7.554 17.815 ( -21.255 -0.495 0.000) 21.261 18.032 ( -4.424 3.481 0.000) 5.629 18.334 ( 11.301 -0.232 0.000) 11.303 19.025 ( -8.317 2.636 0.000) 8.725 19.273 ( 5.448 -6.438 0.000) 8.434 20.481 ( -2.863 1.454 0.000) 3.211 20.857 ( -21.076 3.772 0.000) 21.410 22.268 ( 3.454 -1.485 0.000) 3.760 23.300 ( -10.644 -6.504 0.000) 12.474 24.261 ( 7.454 -5.172 0.000) 9.072 47.058 ( 15.038 0.374 0.000) 15.043 47.663 ( -13.219 -0.688 0.000) 13.237 48.068 ( 10.673 -0.812 0.000) 10.704 48.408 ( -9.389 -1.788 0.000) 9.558 97.947 ( -0.252 0.098 0.000) 0.270 97.959 ( 0.361 0.089 0.000) 0.372 98.548 ( -1.446 -0.947 0.000) 1.728 98.767 ( -0.404 1.261 0.000) 1.324 99.031 ( 5.291 -0.605 0.000) 5.325 99.048 ( 2.022 -1.662 0.000) 2.617 99.744 ( -0.688 6.151 0.000) 6.190 101.113 ( -3.701 8.332 0.000) 9.117 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 21.921 -1.350 0.000) 21.962 2.074 ( 24.750 -10.846 0.000) 27.022 2.690 ( 6.851 -8.039 0.000) 10.562 3.066 ( -0.004 6.245 0.000) 6.245 3.219 ( 2.288 6.730 0.000) 7.109 3.300 ( 8.530 -4.052 0.000) 9.443 3.516 ( 9.650 -1.289 0.000) 9.736 3.607 ( -12.001 3.692 0.000) 12.556 3.695 ( 4.005 -8.315 0.000) 9.229 3.953 ( -3.700 -1.514 0.000) 3.998 4.050 ( -1.327 -3.226 0.000) 3.488 4.152 ( -3.628 2.546 0.000) 4.432 4.172 ( -7.299 1.490 0.000) 7.450 4.534 ( 2.077 1.927 0.000) 2.833 4.809 ( -3.151 4.081 0.000) 5.156 4.839 ( 2.419 -5.791 0.000) 6.276 5.009 ( -2.323 0.421 0.000) 2.361 5.199 ( -3.744 -1.300 0.000) 3.963 5.275 ( 4.338 -3.146 0.000) 5.359 5.859 ( 2.750 0.250 0.000) 2.761 6.156 ( -5.995 5.824 0.000) 8.358 6.616 ( -1.978 -3.048 0.000) 3.634 6.853 ( 0.496 3.983 0.000) 4.014 7.113 ( -2.703 14.685 0.000) 14.932 7.251 ( 1.575 -5.653 0.000) 5.868 7.405 ( 5.960 9.615 0.000) 11.312 8.056 ( 3.650 8.778 0.000) 9.506 8.058 ( 8.226 5.895 0.000) 10.120 8.402 ( 3.017 -13.382 0.000) 13.718 9.157 ( -5.946 -2.714 0.000) 6.536 9.570 ( 20.231 1.864 0.000) 20.317 9.693 ( -0.545 3.217 0.000) 3.262 12.841 ( 0.136 0.162 0.000) 0.211 14.039 ( -2.442 -8.487 0.000) 8.831 14.968 ( -0.544 -2.934 0.000) 2.984 15.478 ( 0.158 1.015 0.000) 1.027 16.891 ( 22.136 1.729 0.000) 22.203 17.511 ( -19.409 -1.817 0.000) 19.493 17.706 ( 7.272 -5.024 0.000) 8.839 17.921 ( -10.281 -3.087 0.000) 10.735 18.510 ( 11.439 -0.055 0.000) 11.439 18.850 ( -8.080 4.001 0.000) 9.017 19.515 ( 12.863 -7.254 0.000) 14.767 20.417 ( -2.800 1.293 0.000) 3.084 20.476 ( -19.993 5.671 0.000) 20.781 22.340 ( 3.063 -1.412 0.000) 3.373 23.193 ( -11.877 -3.026 0.000) 12.256 24.423 ( 5.587 -3.663 0.000) 6.681 47.275 ( 14.197 1.285 0.000) 14.255 47.475 ( -12.839 -1.536 0.000) 12.931 48.188 ( 2.152 1.556 0.000) 2.656 48.339 ( -0.775 -3.263 0.000) 3.354 97.942 ( -0.162 0.021 0.000) 0.164 97.959 ( -0.067 0.231 0.000) 0.240 98.547 ( -1.611 -1.976 0.000) 2.550 98.737 ( -0.259 2.047 0.000) 2.063 99.103 ( 1.792 -1.914 0.000) 2.622 99.129 ( 6.586 -0.349 0.000) 6.596 99.628 ( -1.223 7.336 0.000) 7.437 100.962 ( -4.245 4.373 0.000) 6.094 ======================= Grid point 13 (9/100) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 16.360 1.680 0.000) 16.446 2.525 ( 15.960 -6.590 0.000) 17.267 2.755 ( 2.432 4.241 0.000) 4.889 2.961 ( -0.859 6.167 0.000) 6.226 3.058 ( -3.095 11.349 0.000) 11.764 3.381 ( 0.435 -4.357 0.000) 4.379 3.461 ( -4.686 -0.205 0.000) 4.691 3.755 ( 1.503 -5.717 0.000) 5.911 3.879 ( 4.478 -2.394 0.000) 5.078 3.907 ( 0.255 -3.016 0.000) 3.027 4.020 ( -8.442 -1.116 0.000) 8.516 4.088 ( 2.700 2.710 0.000) 3.826 4.135 ( 1.173 0.320 0.000) 1.216 4.557 ( 2.812 -0.521 0.000) 2.860 4.728 ( 1.059 2.549 0.000) 2.760 4.956 ( 1.864 -2.449 0.000) 3.078 4.976 ( -1.884 -2.401 0.000) 3.052 5.172 ( -2.114 -1.600 0.000) 2.651 5.358 ( 0.874 -3.286 0.000) 3.401 5.774 ( -8.078 1.178 0.000) 8.163 6.122 ( 5.769 2.130 0.000) 6.150 6.632 ( -2.083 -3.299 0.000) 3.902 6.824 ( 2.387 2.891 0.000) 3.749 6.847 ( -1.882 16.082 0.000) 16.191 7.329 ( 2.692 8.602 0.000) 9.013 7.334 ( -1.347 -5.100 0.000) 5.275 7.957 ( 2.258 10.064 0.000) 10.314 8.110 ( 8.074 4.511 0.000) 9.249 8.591 ( -2.544 -10.199 0.000) 10.511 9.114 ( -7.695 -5.152 0.000) 9.260 9.577 ( -1.505 6.592 0.000) 6.761 9.839 ( 18.840 4.778 0.000) 19.436 12.841 ( 0.173 0.176 0.000) 0.247 14.126 ( 0.222 -5.957 0.000) 5.962 15.010 ( 0.346 -2.690 0.000) 2.712 15.469 ( 1.160 1.257 0.000) 1.710 16.922 ( -13.582 3.403 0.000) 14.001 17.483 ( 11.318 -2.846 0.000) 11.670 17.817 ( -14.587 -7.436 0.000) 16.373 17.876 ( 6.683 -3.026 0.000) 7.337 18.639 ( 7.570 2.613 0.000) 8.009 18.704 ( -4.332 1.904 0.000) 4.731 19.801 ( 9.522 -2.469 0.000) 9.837 20.176 ( -6.733 1.299 0.000) 6.857 20.367 ( -2.437 0.082 0.000) 2.438 22.391 ( 2.103 -0.183 0.000) 2.111 23.075 ( -11.059 -4.899 0.000) 12.095 24.543 ( 6.526 -1.073 0.000) 6.613 47.223 ( -14.039 -0.333 0.000) 14.043 47.542 ( 14.530 0.481 0.000) 14.538 48.107 ( -8.819 -1.132 0.000) 8.891 48.459 ( 10.450 0.574 0.000) 10.465 97.941 ( -0.102 -0.060 0.000) 0.118 97.953 ( -0.269 0.146 0.000) 0.306 98.560 ( -1.465 -2.942 0.000) 3.287 98.702 ( -0.037 2.346 0.000) 2.346 99.142 ( 0.920 -0.343 0.000) 0.982 99.232 ( 7.240 0.490 0.000) 7.256 99.500 ( -2.395 6.134 0.000) 6.585 100.852 ( -5.992 0.602 0.000) 6.022 ======================= Grid point 14 (10/100) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 8.257 12.934 0.000) 15.345 2.525 ( -6.574 15.687 0.000) 17.009 2.738 ( 4.058 3.163 0.000) 5.145 2.886 ( -0.072 1.676 0.000) 1.677 2.992 ( 3.836 -0.408 0.000) 3.858 3.490 ( 3.170 -5.136 0.000) 6.036 3.499 ( 4.714 -6.671 0.000) 8.169 3.643 ( -9.563 4.609 0.000) 10.616 3.836 ( -4.305 11.635 0.000) 12.406 3.960 ( -3.940 -3.025 0.000) 4.967 4.005 ( -5.576 -5.375 0.000) 7.745 4.065 ( 6.638 0.750 0.000) 6.680 4.179 ( 1.434 -2.983 0.000) 3.309 4.591 ( 1.302 0.360 0.000) 1.351 4.794 ( 8.223 1.711 0.000) 8.399 4.913 ( -3.619 1.618 0.000) 3.964 5.047 ( 1.413 -2.789 0.000) 3.127 5.206 ( 1.635 -3.318 0.000) 3.699 5.374 ( -4.565 -0.042 0.000) 4.566 5.734 ( 1.043 -6.925 0.000) 7.004 6.161 ( 2.819 3.776 0.000) 4.712 6.616 ( -1.745 10.242 0.000) 10.390 6.660 ( -0.834 -3.753 0.000) 3.844 6.830 ( 3.900 3.010 0.000) 4.926 7.246 ( 0.017 4.954 0.000) 4.954 7.353 ( -4.932 -3.608 0.000) 6.111 7.843 ( 0.831 7.808 0.000) 7.852 8.145 ( 7.154 6.073 0.000) 9.384 8.602 ( -8.662 -2.549 0.000) 9.029 9.077 ( -10.165 -7.122 0.000) 12.412 9.464 ( 0.213 6.307 0.000) 6.310 9.982 ( 15.080 10.202 0.000) 18.207 12.840 ( 0.111 0.222 0.000) 0.248 14.228 ( 3.770 -4.023 0.000) 5.514 15.048 ( 0.740 -1.182 0.000) 1.395 15.480 ( 2.651 1.017 0.000) 2.839 16.595 ( -21.988 2.283 0.000) 22.106 17.687 ( 7.743 -0.095 0.000) 7.744 17.704 ( -16.925 -8.494 0.000) 18.937 17.985 ( 10.119 2.779 0.000) 10.494 18.639 ( 1.375 6.281 0.000) 6.430 18.707 ( 2.261 -4.609 0.000) 5.134 19.715 ( -6.135 7.277 0.000) 9.518 20.346 ( -1.877 -1.649 0.000) 2.499 20.392 ( 17.568 -8.962 0.000) 19.722 22.403 ( 0.969 1.617 0.000) 1.885 23.035 ( -8.768 -10.072 0.000) 13.354 24.659 ( 9.550 1.107 0.000) 9.614 47.019 ( -13.914 -0.627 0.000) 13.929 47.740 ( 13.538 1.323 0.000) 13.602 48.001 ( -8.376 -2.163 0.000) 8.651 48.592 ( 10.370 2.576 0.000) 10.685 97.940 ( -0.212 -0.039 0.000) 0.216 97.950 ( -0.138 -0.141 0.000) 0.198 98.591 ( -1.014 -3.711 0.000) 3.847 98.668 ( 0.157 2.299 0.000) 2.304 99.135 ( -0.257 2.038 0.000) 2.054 99.298 ( 4.762 5.331 0.000) 7.148 99.406 ( -1.246 0.294 0.000) 1.280 100.761 ( -8.235 -2.273 0.000) 8.543 ======================= Grid point 15 (11/100) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 2.268 23.288 0.000) 23.398 2.085 ( -10.137 24.614 0.000) 26.619 2.715 ( -0.715 8.204 0.000) 8.235 2.917 ( -0.438 -2.327 0.000) 2.368 3.023 ( -2.134 -2.609 0.000) 3.371 3.329 ( -6.147 14.693 0.000) 15.927 3.586 ( -9.844 1.261 0.000) 9.924 3.635 ( 5.510 -0.593 0.000) 5.542 3.755 ( 11.265 -8.937 0.000) 14.379 3.956 ( -3.783 -1.427 0.000) 4.043 3.987 ( -1.003 -5.282 0.000) 5.376 4.193 ( 5.760 -2.381 0.000) 6.233 4.251 ( 0.125 -5.074 0.000) 5.076 4.568 ( -1.018 3.675 0.000) 3.814 4.818 ( -4.739 2.424 0.000) 5.323 4.868 ( 5.701 0.978 0.000) 5.784 5.112 ( 3.077 -1.731 0.000) 3.530 5.231 ( -7.032 5.805 0.000) 9.118 5.284 ( 2.285 -2.362 0.000) 3.286 5.960 ( 3.444 -8.159 0.000) 8.856 6.059 ( 0.965 6.389 0.000) 6.461 6.512 ( -4.989 -1.000 0.000) 5.088 6.718 ( 0.615 -3.830 0.000) 3.879 6.840 ( 4.857 4.344 0.000) 6.516 7.201 ( -0.185 0.310 0.000) 0.361 7.292 ( -7.019 -0.211 0.000) 7.023 7.774 ( -0.690 1.243 0.000) 1.421 8.139 ( 5.338 7.585 0.000) 9.275 8.443 ( -9.514 4.007 0.000) 10.323 9.004 ( -11.852 -4.678 0.000) 12.742 9.410 ( 2.580 4.205 0.000) 4.933 9.980 ( 8.818 13.535 0.000) 16.153 12.838 ( 0.024 0.178 0.000) 0.179 14.359 ( 7.675 -2.488 0.000) 8.068 15.069 ( 1.383 0.225 0.000) 1.401 15.517 ( 4.322 1.041 0.000) 4.445 16.242 ( -20.864 2.476 0.000) 21.010 17.565 ( -17.577 -7.051 0.000) 18.938 17.668 ( -2.583 4.915 0.000) 5.553 18.138 ( 14.035 2.323 0.000) 14.226 18.514 ( -2.567 8.488 0.000) 8.868 18.867 ( 4.849 -8.145 0.000) 9.479 19.540 ( -2.610 7.364 0.000) 7.813 20.362 ( -1.073 -3.479 0.000) 3.641 20.792 ( 16.574 -9.612 0.000) 19.159 22.373 ( -0.005 3.413 0.000) 3.413 23.125 ( -4.721 -15.788 0.000) 16.479 24.793 ( 13.381 3.588 0.000) 13.853 46.843 ( -10.788 -0.509 0.000) 10.800 47.892 ( 9.943 1.656 0.000) 10.080 47.935 ( -5.247 -2.721 0.000) 5.910 48.681 ( 7.943 3.715 0.000) 8.769 97.938 ( -0.203 -0.155 0.000) 0.256 97.950 ( -0.112 -0.187 0.000) 0.218 98.638 ( -0.396 -3.981 0.000) 4.000 98.639 ( 0.221 1.966 0.000) 1.979 99.080 ( -1.042 3.783 0.000) 3.924 99.218 ( -1.582 5.723 0.000) 5.938 99.446 ( 2.733 -0.916 0.000) 2.883 100.672 ( -10.605 -4.258 0.000) 11.428 ======================= Grid point 16 (12/100) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.340 28.362 0.000) 28.364 1.540 ( -8.635 29.704 0.000) 30.934 2.271 ( -11.245 37.458 0.000) 39.109 2.870 ( -3.180 1.092 0.000) 3.362 3.031 ( -1.911 -2.816 0.000) 3.403 3.284 ( 3.437 -5.488 0.000) 6.476 3.475 ( -6.811 -3.021 0.000) 7.451 3.736 ( 6.797 -1.118 0.000) 6.888 3.964 ( -2.564 -5.684 0.000) 6.235 4.022 ( 7.005 -6.752 0.000) 9.729 4.076 ( 0.629 -7.302 0.000) 7.329 4.280 ( 3.836 2.103 0.000) 4.375 4.337 ( 0.315 -6.489 0.000) 6.497 4.499 ( 1.749 1.961 0.000) 2.628 4.720 ( -3.498 2.038 0.000) 4.049 4.906 ( 1.490 7.125 0.000) 7.279 5.059 ( -4.425 0.785 0.000) 4.494 5.176 ( 2.574 -0.698 0.000) 2.667 5.331 ( 1.320 -0.312 0.000) 1.356 5.765 ( -5.002 13.340 0.000) 14.247 6.280 ( 2.787 -12.923 0.000) 13.220 6.421 ( -11.530 -1.853 0.000) 11.678 6.742 ( 0.392 2.742 0.000) 2.770 6.881 ( 5.137 -0.591 0.000) 5.171 7.172 ( -5.955 2.585 0.000) 6.492 7.244 ( 2.205 -3.868 0.000) 4.453 7.787 ( -1.472 -4.918 0.000) 5.134 8.042 ( -2.513 9.536 0.000) 9.862 8.281 ( 0.411 7.135 0.000) 7.146 8.871 ( -9.780 0.479 0.000) 9.791 9.401 ( 2.070 2.157 0.000) 2.990 9.870 ( 3.173 12.179 0.000) 12.586 12.836 ( -0.007 -0.029 0.000) 0.029 14.528 ( 10.589 -2.086 0.000) 10.793 15.089 ( 1.992 0.305 0.000) 2.015 15.571 ( 6.099 2.272 0.000) 6.508 15.922 ( -16.683 2.623 0.000) 16.888 17.399 ( -15.576 -3.951 0.000) 16.070 17.539 ( -2.365 6.374 0.000) 6.798 18.282 ( 8.112 1.023 0.000) 8.176 18.346 ( -2.422 8.501 0.000) 8.839 19.050 ( 3.297 -7.685 0.000) 8.362 19.415 ( -0.850 6.385 0.000) 6.441 20.415 ( -0.212 -4.804 0.000) 4.808 21.127 ( 9.489 -8.919 0.000) 13.023 22.309 ( -0.456 4.567 0.000) 4.590 23.353 ( -0.282 -19.344 0.000) 19.346 24.947 ( 16.223 5.170 0.000) 17.026 46.725 ( -5.921 -0.330 0.000) 5.931 47.933 ( -0.880 -3.269 0.000) 3.385 47.980 ( 5.222 1.625 0.000) 5.469 48.714 ( 4.359 4.098 0.000) 5.983 97.937 ( -0.206 -0.172 0.000) 0.268 97.952 ( -0.033 -0.159 0.000) 0.162 98.616 ( 0.265 1.715 0.000) 1.736 98.694 ( -0.072 -3.821 0.000) 3.822 99.005 ( -0.942 3.931 0.000) 4.042 99.113 ( -2.359 4.193 0.000) 4.811 99.470 ( -0.527 0.664 0.000) 0.848 100.575 ( -10.894 -4.409 0.000) 11.753 ======================= Grid point 17 (13/100) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 30.406 0.000) 30.406 0.997 ( 0.000 33.139 0.000) 33.139 1.504 ( 0.000 48.764 0.000) 48.764 2.823 ( 0.000 1.309 0.000) 1.309 3.053 ( -0.000 -2.113 0.000) 2.113 3.388 ( -0.000 -2.085 0.000) 2.085 3.480 ( -0.000 -6.225 0.000) 6.225 3.863 ( -0.000 -5.154 0.000) 5.154 4.028 ( -0.000 -5.097 0.000) 5.097 4.139 ( -0.000 -4.702 0.000) 4.702 4.201 ( -0.000 -6.258 0.000) 6.258 4.238 ( 0.000 3.431 0.000) 3.431 4.443 ( -0.000 -6.203 0.000) 6.203 4.642 ( 0.000 19.675 0.000) 19.675 4.659 ( -0.000 -12.749 0.000) 12.749 4.669 ( 0.000 1.060 0.000) 1.060 5.095 ( -0.000 -5.119 0.000) 5.119 5.198 ( 0.000 0.308 0.000) 0.308 5.333 ( 0.000 1.136 0.000) 1.136 5.567 ( 0.000 6.758 0.000) 6.758 6.172 ( 0.000 11.497 0.000) 11.497 6.514 ( -0.000 -12.608 0.000) 12.608 6.680 ( 0.000 4.894 0.000) 4.894 6.956 ( -0.000 -2.454 0.000) 2.454 7.076 ( 0.000 3.130 0.000) 3.130 7.341 ( -0.000 -5.198 0.000) 5.198 7.843 ( 0.000 12.389 0.000) 12.389 7.864 ( -0.000 -6.698 0.000) 6.698 8.200 ( 0.000 6.304 0.000) 6.304 8.749 ( 0.000 4.088 0.000) 4.088 9.398 ( 0.000 0.544 0.000) 0.544 9.746 ( 0.000 7.107 0.000) 7.107 12.839 ( -0.000 -0.238 0.000) 0.238 14.689 ( -0.000 -3.902 0.000) 3.902 15.110 ( -0.000 -0.245 0.000) 0.245 15.588 ( 0.000 4.934 0.000) 4.934 15.742 ( 0.000 0.402 0.000) 0.402 17.271 ( 0.000 0.627 0.000) 0.627 17.432 ( 0.000 5.346 0.000) 5.346 18.212 ( 0.000 6.728 0.000) 6.728 18.334 ( 0.000 0.303 0.000) 0.303 19.173 ( -0.000 -5.558 0.000) 5.558 19.327 ( 0.000 4.683 0.000) 4.683 20.487 ( -0.000 -4.687 0.000) 4.687 21.316 ( -0.000 -6.966 0.000) 6.966 22.236 ( 0.000 4.364 0.000) 4.364 23.642 ( -0.000 -17.983 0.000) 17.983 25.068 ( 0.000 2.134 0.000) 2.134 46.684 ( -0.000 -0.211 0.000) 0.211 47.993 ( -0.000 -4.001 0.000) 4.001 47.997 ( 0.000 1.272 0.000) 1.272 48.689 ( 0.000 3.628 0.000) 3.628 97.937 ( -0.000 -0.101 0.000) 0.101 97.954 ( -0.000 -0.138 0.000) 0.138 98.596 ( 0.000 1.289 0.000) 1.289 98.744 ( -0.000 -2.902 0.000) 2.902 98.946 ( 0.000 2.867 0.000) 2.867 99.038 ( 0.000 3.000 0.000) 3.000 99.415 ( 0.000 2.942 0.000) 2.942 100.516 ( -0.000 -1.791 0.000) 1.791 ======================= Grid point 20 (14/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 29.367 -0.000 0.000) 29.367 1.902 ( 29.893 -0.000 0.000) 29.893 2.431 ( 10.053 -0.000 0.000) 10.053 3.198 ( 3.448 -0.000 0.000) 3.448 3.201 ( 8.913 -0.000 0.000) 8.913 3.323 ( 6.987 -0.000 0.000) 6.987 3.553 ( 11.498 -0.000 0.000) 11.498 3.584 ( 10.979 -0.000 0.000) 10.979 3.670 ( -16.904 0.000 0.000) 16.904 3.925 ( -5.893 0.000 0.000) 5.893 3.945 ( -6.817 0.000 0.000) 6.817 4.177 ( -12.413 0.000 0.000) 12.413 4.228 ( -0.521 0.000 0.000) 0.521 4.589 ( 1.641 -0.000 0.000) 1.641 4.722 ( 0.218 -0.000 0.000) 0.218 4.883 ( -4.345 0.000 0.000) 4.345 5.023 ( -1.640 0.000 0.000) 1.640 5.170 ( -4.066 0.000 0.000) 4.066 5.201 ( 7.153 -0.000 0.000) 7.153 5.946 ( 14.471 -0.000 0.000) 14.471 6.216 ( -16.342 0.000 0.000) 16.342 6.568 ( -1.271 0.000 0.000) 1.271 6.932 ( -2.382 0.000 0.000) 2.382 7.149 ( 4.715 -0.000 0.000) 4.715 7.308 ( -6.690 0.000 0.000) 6.690 7.584 ( 9.914 -0.000 0.000) 9.914 8.086 ( -0.116 0.000 0.000) 0.116 8.199 ( 3.710 -0.000 0.000) 3.710 8.302 ( 4.173 -0.000 0.000) 4.173 9.145 ( -2.856 0.000 0.000) 2.856 9.573 ( 23.158 -0.000 0.000) 23.158 9.764 ( 0.370 -0.000 0.000) 0.370 12.844 ( 0.104 -0.000 0.000) 0.104 13.860 ( 1.435 -0.000 0.000) 1.435 14.917 ( -0.572 0.000 0.000) 0.572 15.494 ( 0.394 -0.000 0.000) 0.394 16.928 ( 28.208 -0.000 0.000) 28.208 17.461 ( -24.466 0.000 0.000) 24.466 17.634 ( 7.788 -0.000 0.000) 7.788 17.859 ( -17.492 0.000 0.000) 17.492 18.524 ( 12.990 -0.000 0.000) 12.990 18.914 ( -9.075 0.000 0.000) 9.075 19.382 ( 15.435 -0.000 0.000) 15.435 20.439 ( -3.961 0.000 0.000) 3.961 20.565 ( -21.492 0.000 0.000) 21.492 22.316 ( 4.182 -0.000 0.000) 4.182 23.112 ( -10.379 0.000 0.000) 10.379 24.364 ( 9.262 -0.000 0.000) 9.262 47.300 ( 16.948 -0.000 0.000) 16.948 47.446 ( -15.243 0.000 0.000) 15.243 48.242 ( -10.904 0.000 0.000) 10.904 48.252 ( 13.905 -0.000 0.000) 13.905 97.943 ( -0.281 0.000 0.000) 0.281 97.963 ( -0.042 0.000 0.000) 0.042 98.516 ( -1.878 0.000 0.000) 1.878 98.768 ( -0.613 0.000 0.000) 0.613 99.074 ( 3.148 -0.000 0.000) 3.148 99.125 ( 7.653 -0.000 0.000) 7.653 99.758 ( -2.882 0.000 0.000) 2.882 101.053 ( -9.924 0.000 0.000) 9.924 ======================= Grid point 21 (15/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 25.113 6.710 0.000) 25.994 2.353 ( 26.466 -3.495 0.000) 26.695 2.587 ( 2.071 -12.318 0.000) 12.491 3.164 ( 0.740 6.672 0.000) 6.713 3.351 ( -1.743 6.981 0.000) 7.196 3.371 ( 4.422 -6.922 0.000) 8.214 3.457 ( -7.708 -0.922 0.000) 7.763 3.593 ( -0.442 9.006 0.000) 9.017 3.848 ( -4.853 -0.841 0.000) 4.926 3.874 ( 16.819 -0.557 0.000) 16.828 3.989 ( -12.308 -0.993 0.000) 12.348 3.999 ( 12.980 -8.127 0.000) 15.314 4.188 ( -1.846 2.666 0.000) 3.243 4.579 ( -0.213 1.056 0.000) 1.077 4.769 ( 0.506 -5.505 0.000) 5.528 4.823 ( -1.241 2.488 0.000) 2.781 4.999 ( -1.011 0.908 0.000) 1.359 5.119 ( -4.145 -1.489 0.000) 4.405 5.297 ( 3.809 -1.204 0.000) 3.994 5.905 ( -10.305 7.551 0.000) 12.775 6.169 ( 7.336 -1.399 0.000) 7.468 6.557 ( -1.742 -1.455 0.000) 2.270 6.888 ( -1.310 1.272 0.000) 1.826 7.163 ( -7.664 4.895 0.000) 9.094 7.232 ( 3.540 -1.711 0.000) 3.932 7.644 ( 6.371 8.605 0.000) 10.707 8.155 ( 0.170 -7.813 0.000) 7.815 8.205 ( 2.331 5.079 0.000) 5.588 8.343 ( 5.602 1.838 0.000) 5.896 9.083 ( -3.797 1.841 0.000) 4.219 9.733 ( -1.182 3.271 0.000) 3.478 9.923 ( 24.127 0.958 0.000) 24.146 12.845 ( 0.228 0.104 0.000) 0.250 13.928 ( 1.444 -5.303 0.000) 5.496 14.932 ( 0.594 -1.807 0.000) 1.902 15.502 ( 1.367 0.674 0.000) 1.525 17.049 ( -20.288 4.210 0.000) 20.720 17.368 ( 20.028 -4.080 0.000) 20.440 17.604 ( -20.951 -5.104 0.000) 21.563 17.776 ( 8.719 -2.326 0.000) 9.023 18.699 ( 11.160 1.233 0.000) 11.228 18.773 ( -7.791 1.706 0.000) 7.975 19.682 ( 20.257 -3.284 0.000) 20.521 20.254 ( -17.213 2.089 0.000) 17.339 20.375 ( -4.108 0.265 0.000) 4.116 22.380 ( 3.843 -0.343 0.000) 3.859 22.952 ( -14.267 -2.689 0.000) 14.518 24.501 ( 7.954 -1.094 0.000) 8.029 47.218 ( -15.245 -0.037 0.000) 15.245 47.549 ( 16.375 0.070 0.000) 16.375 48.083 ( -10.654 -0.436 0.000) 10.663 48.462 ( 13.656 -0.123 0.000) 13.657 97.940 ( -0.176 -0.032 0.000) 0.179 97.958 ( -0.456 0.130 0.000) 0.474 98.496 ( -1.994 -1.214 0.000) 2.334 98.751 ( -0.650 0.906 0.000) 1.115 99.129 ( 3.584 -0.307 0.000) 3.597 99.249 ( 9.312 0.454 0.000) 9.323 99.676 ( -3.717 4.044 0.000) 5.493 100.885 ( -10.733 1.054 0.000) 10.784 ======================= Grid point 22 (16/100) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 16.795 6.292 0.000) 17.935 2.716 ( 15.408 0.404 0.000) 15.414 2.816 ( 6.293 -5.962 0.000) 8.669 3.056 ( -0.033 8.056 0.000) 8.056 3.200 ( 1.013 7.310 0.000) 7.379 3.353 ( -7.856 0.633 0.000) 7.881 3.387 ( -0.856 5.133 0.000) 5.204 3.597 ( -1.983 -12.112 0.000) 12.273 3.735 ( -8.613 -0.759 0.000) 8.647 3.894 ( -4.573 -2.878 0.000) 5.404 4.064 ( 6.807 -1.702 0.000) 7.016 4.123 ( -2.891 0.382 0.000) 2.917 4.262 ( 13.208 10.077 0.000) 16.613 4.590 ( 1.887 -0.077 0.000) 1.889 4.833 ( 9.752 0.455 0.000) 9.763 4.878 ( 0.354 -7.450 0.000) 7.458 4.962 ( -1.582 1.472 0.000) 2.161 5.101 ( -2.441 -3.282 0.000) 4.090 5.339 ( 0.522 -0.125 0.000) 0.537 5.675 ( -8.716 2.331 0.000) 9.023 6.267 ( 7.452 2.992 0.000) 8.030 6.562 ( -1.521 -2.686 0.000) 3.087 6.871 ( 0.455 0.121 0.000) 0.471 6.954 ( -7.545 7.809 0.000) 10.858 7.282 ( 0.668 -0.548 0.000) 0.864 7.547 ( 3.220 13.059 0.000) 13.450 8.126 ( 1.160 8.785 0.000) 8.861 8.256 ( 0.830 -3.722 0.000) 3.814 8.420 ( 2.397 -3.045 0.000) 3.875 8.986 ( -5.771 1.389 0.000) 5.936 9.646 ( -1.257 5.419 0.000) 5.563 10.220 ( 21.398 5.255 0.000) 22.034 12.847 ( 0.283 0.207 0.000) 0.351 14.045 ( 2.069 -6.974 0.000) 7.275 14.979 ( 0.942 -2.706 0.000) 2.865 15.518 ( 2.968 1.236 0.000) 3.215 16.669 ( -23.104 2.412 0.000) 23.229 17.409 ( -20.547 -10.068 0.000) 22.881 17.678 ( 14.596 -0.141 0.000) 14.597 17.961 ( 10.904 -3.638 0.000) 11.495 18.661 ( -3.782 0.856 0.000) 3.877 18.789 ( 5.294 3.684 0.000) 6.450 19.902 ( -0.769 5.042 0.000) 5.100 20.164 ( 12.701 -6.163 0.000) 14.117 20.318 ( -3.597 -0.397 0.000) 3.619 22.430 ( 2.822 0.346 0.000) 2.843 22.789 ( -15.619 -6.002 0.000) 16.732 24.634 ( 7.450 -1.820 0.000) 7.669 47.005 ( -13.770 -0.310 0.000) 13.774 47.770 ( 14.141 0.698 0.000) 14.158 47.948 ( -9.258 -1.325 0.000) 9.352 48.645 ( 11.888 1.092 0.000) 11.938 97.938 ( -0.117 -0.055 0.000) 0.130 97.948 ( -0.519 0.052 0.000) 0.521 98.495 ( -1.731 -2.499 0.000) 3.040 98.725 ( -0.513 1.424 0.000) 1.514 99.177 ( 3.077 0.831 0.000) 3.187 99.379 ( 10.210 1.585 0.000) 10.333 99.542 ( -4.157 5.900 0.000) 7.217 100.720 ( -11.219 -0.727 0.000) 11.242 ======================= Grid point 23 (17/100) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 9.013 10.543 0.000) 13.870 2.704 ( -0.158 14.205 0.000) 14.206 2.872 ( 3.981 5.632 0.000) 6.897 2.946 ( 0.023 6.459 0.000) 6.460 3.048 ( -4.771 7.400 0.000) 8.805 3.406 ( -0.171 -5.961 0.000) 5.963 3.462 ( 9.643 -10.467 0.000) 14.231 3.596 ( -3.975 1.105 0.000) 4.126 3.770 ( -5.129 -12.265 0.000) 13.294 3.897 ( -0.246 -1.421 0.000) 1.442 4.081 ( 2.552 20.464 0.000) 20.622 4.102 ( -4.156 -4.398 0.000) 6.051 4.173 ( 4.092 1.405 0.000) 4.327 4.605 ( 0.829 0.589 0.000) 1.017 4.893 ( -2.947 2.511 0.000) 3.872 4.975 ( 7.825 4.872 0.000) 9.218 4.991 ( 0.376 -6.300 0.000) 6.311 5.156 ( 0.533 -5.695 0.000) 5.720 5.312 ( -3.352 1.392 0.000) 3.630 5.661 ( 3.952 -6.896 0.000) 7.948 6.305 ( 5.842 5.310 0.000) 7.895 6.596 ( -0.324 -3.951 0.000) 3.964 6.723 ( -6.464 9.225 0.000) 11.264 6.899 ( 2.390 -1.024 0.000) 2.600 7.261 ( -3.072 1.084 0.000) 3.258 7.383 ( 0.907 12.387 0.000) 12.420 7.994 ( 0.435 10.246 0.000) 10.255 8.278 ( -2.580 -0.879 0.000) 2.726 8.473 ( 1.927 0.207 0.000) 1.938 8.881 ( -7.899 -1.006 0.000) 7.963 9.557 ( 0.404 5.365 0.000) 5.380 10.371 ( 14.948 11.190 0.000) 18.672 12.847 ( 0.206 0.348 0.000) 0.405 14.193 ( 3.362 -7.639 0.000) 8.346 15.031 ( 0.797 -2.452 0.000) 2.579 15.558 ( 5.310 1.533 0.000) 5.527 16.312 ( -20.619 2.198 0.000) 20.736 17.291 ( -17.338 -11.435 0.000) 20.769 17.776 ( 2.694 2.881 0.000) 3.944 18.184 ( 12.850 -1.024 0.000) 12.891 18.662 ( 0.990 -4.140 0.000) 4.257 18.743 ( -0.507 6.632 0.000) 6.651 19.759 ( -2.373 7.033 0.000) 7.423 20.286 ( -2.607 -1.639 0.000) 3.080 20.535 ( 18.331 -7.454 0.000) 19.788 22.448 ( 1.573 1.674 0.000) 2.297 22.701 ( -13.114 -11.857 0.000) 17.680 24.781 ( 7.835 -2.911 0.000) 8.358 46.830 ( -10.484 -0.376 0.000) 10.491 47.857 ( -6.518 -2.275 0.000) 6.904 47.937 ( 10.270 1.271 0.000) 10.348 48.772 ( 8.711 2.385 0.000) 9.031 97.936 ( -0.267 0.003 0.000) 0.267 97.944 ( -0.182 -0.201 0.000) 0.271 98.520 ( -1.148 -3.643 0.000) 3.819 98.696 ( -0.257 1.658 0.000) 1.678 99.187 ( 2.042 3.055 0.000) 3.675 99.389 ( -4.558 5.682 0.000) 7.284 99.497 ( 10.234 3.397 0.000) 10.783 100.576 ( -11.487 -2.522 0.000) 11.760 ======================= Grid point 24 (18/100) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 2.705 20.423 0.000) 20.602 2.369 ( -2.760 25.729 0.000) 25.876 2.836 ( 2.324 5.507 0.000) 5.977 2.899 ( -0.028 0.730 0.000) 0.730 2.954 ( -3.144 -1.780 0.000) 3.612 3.405 ( -4.730 -0.375 0.000) 4.745 3.601 ( 1.558 10.333 0.000) 10.449 3.703 ( -2.141 8.511 0.000) 8.776 3.769 ( 9.704 -9.456 0.000) 13.549 3.837 ( -4.103 -0.804 0.000) 4.181 3.925 ( 0.136 -2.657 0.000) 2.661 4.127 ( -3.974 -7.392 0.000) 8.392 4.297 ( 9.536 -1.978 0.000) 9.739 4.566 ( -4.174 2.484 0.000) 4.857 4.801 ( -2.851 3.444 0.000) 4.472 4.960 ( 2.145 2.988 0.000) 3.679 5.090 ( 1.072 -5.359 0.000) 5.465 5.205 ( -4.792 4.298 0.000) 6.437 5.254 ( 1.059 -5.082 0.000) 5.191 5.899 ( 7.063 -10.037 0.000) 12.273 6.247 ( 2.761 13.352 0.000) 13.634 6.517 ( -4.280 6.430 0.000) 7.724 6.666 ( 0.674 -4.797 0.000) 4.844 6.964 ( 5.237 0.204 0.000) 5.241 7.167 ( -6.846 1.086 0.000) 6.932 7.244 ( -0.009 6.080 0.000) 6.080 7.854 ( 0.072 8.618 0.000) 8.619 8.210 ( -5.235 1.527 0.000) 5.453 8.482 ( 5.473 6.125 0.000) 8.214 8.791 ( -8.554 -3.639 0.000) 9.296 9.501 ( 1.238 4.228 0.000) 4.406 10.326 ( 6.759 16.210 0.000) 17.563 12.843 ( 0.072 0.408 0.000) 0.414 14.363 ( 3.780 -8.033 0.000) 8.878 15.072 ( 0.588 -1.639 0.000) 1.742 15.633 ( 8.327 1.877 0.000) 8.536 16.001 ( -16.808 2.499 0.000) 16.993 17.230 ( -11.046 -8.732 0.000) 14.081 17.718 ( -0.956 5.383 0.000) 5.467 18.332 ( 7.772 1.764 0.000) 7.970 18.608 ( -1.799 8.576 0.000) 8.763 18.791 ( 2.168 -8.823 0.000) 9.086 19.632 ( -0.447 7.816 0.000) 7.828 20.293 ( -1.254 -3.172 0.000) 3.411 20.868 ( 10.882 -7.738 0.000) 13.353 22.427 ( 0.498 3.189 0.000) 3.227 22.776 ( -6.547 -18.313 0.000) 19.448 24.942 ( 6.799 -3.744 0.000) 7.762 46.715 ( -5.716 -0.341 0.000) 5.726 47.828 ( -2.976 -3.354 0.000) 4.484 48.031 ( 5.358 1.668 0.000) 5.611 48.828 ( 4.568 3.400 0.000) 5.695 97.933 ( -0.148 -0.099 0.000) 0.178 97.946 ( -0.083 -0.225 0.000) 0.240 98.567 ( -0.480 -4.371 0.000) 4.397 98.669 ( -0.016 1.734 0.000) 1.735 99.147 ( 0.986 5.267 0.000) 5.358 99.248 ( -3.497 4.900 0.000) 6.019 99.567 ( 6.847 4.884 0.000) 8.411 100.466 ( -8.895 -3.478 0.000) 9.551 ======================= Grid point 25 (19/100) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.000 26.087 0.000) 26.087 1.928 ( 0.000 29.784 0.000) 29.784 2.697 ( 0.000 22.986 0.000) 22.986 2.869 ( 0.000 1.561 0.000) 1.561 2.972 ( -0.000 -3.071 0.000) 3.071 3.296 ( 0.000 9.384 0.000) 9.384 3.383 ( -0.000 -1.146 0.000) 1.146 3.791 ( 0.000 0.314 0.000) 0.314 3.815 ( -0.000 -8.498 0.000) 8.498 3.976 ( -0.000 -8.219 0.000) 8.219 3.983 ( -0.000 -4.987 0.000) 4.987 4.217 ( -0.000 -8.622 0.000) 8.622 4.394 ( 0.000 7.094 0.000) 7.094 4.479 ( -0.000 -3.665 0.000) 3.665 4.728 ( 0.000 3.017 0.000) 3.017 4.981 ( -0.000 -2.164 0.000) 2.164 5.069 ( 0.000 8.180 0.000) 8.180 5.165 ( -0.000 -3.267 0.000) 3.267 5.320 ( -0.000 -2.591 0.000) 2.591 5.991 ( 0.000 20.333 0.000) 20.333 6.115 ( -0.000 -12.211 0.000) 12.211 6.410 ( 0.000 5.241 0.000) 5.241 6.737 ( -0.000 -3.292 0.000) 3.292 6.984 ( 0.000 6.294 0.000) 6.294 7.102 ( -0.000 -3.389 0.000) 3.389 7.217 ( -0.000 -1.421 0.000) 1.421 7.764 ( 0.000 2.958 0.000) 2.958 8.114 ( 0.000 5.269 0.000) 5.269 8.422 ( 0.000 8.317 0.000) 8.317 8.771 ( -0.000 -3.221 0.000) 3.221 9.457 ( 0.000 3.324 0.000) 3.324 10.120 ( 0.000 17.088 0.000) 17.088 12.838 ( 0.000 0.258 0.000) 0.258 14.517 ( -0.000 -7.692 0.000) 7.692 15.096 ( -0.000 -0.944 0.000) 0.944 15.736 ( 0.000 4.572 0.000) 4.572 15.760 ( 0.000 0.825 0.000) 0.825 17.236 ( -0.000 -4.128 0.000) 4.128 17.619 ( 0.000 6.547 0.000) 6.547 18.363 ( 0.000 1.757 0.000) 1.757 18.460 ( 0.000 9.236 0.000) 9.236 18.947 ( -0.000 -9.294 0.000) 9.294 19.514 ( 0.000 7.621 0.000) 7.621 20.342 ( -0.000 -4.508 0.000) 4.508 21.069 ( -0.000 -8.644 0.000) 8.644 22.374 ( 0.000 4.361 0.000) 4.361 23.032 ( -0.000 -21.616 0.000) 21.616 25.057 ( -0.000 -3.127 0.000) 3.127 46.676 ( -0.000 -0.304 0.000) 0.304 47.865 ( -0.000 -4.270 0.000) 4.270 48.045 ( 0.000 1.792 0.000) 1.792 48.807 ( 0.000 3.967 0.000) 3.967 97.934 ( -0.000 -0.126 0.000) 0.126 97.949 ( -0.000 -0.220 0.000) 0.220 98.628 ( -0.000 -3.751 0.000) 3.751 98.645 ( 0.000 1.055 0.000) 1.055 99.070 ( 0.000 5.467 0.000) 5.467 99.152 ( 0.000 4.435 0.000) 4.435 99.540 ( 0.000 5.403 0.000) 5.403 100.443 ( -0.000 -3.147 0.000) 3.147 ======================= Grid point 30 (20/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 25.342 -0.000 0.000) 25.342 2.467 ( 0.200 -0.000 0.000) 0.200 2.717 ( 25.063 -0.000 0.000) 25.063 3.202 ( -14.251 0.000 0.000) 14.251 3.271 ( 1.053 -0.000 0.000) 1.053 3.298 ( 0.776 -0.000 0.000) 0.776 3.527 ( 6.171 -0.000 0.000) 6.171 3.598 ( -10.581 0.000 0.000) 10.581 3.756 ( -5.494 0.000 0.000) 5.494 3.793 ( -11.452 0.000 0.000) 11.452 3.959 ( 7.054 -0.000 0.000) 7.054 4.171 ( -3.670 0.000 0.000) 3.670 4.421 ( 35.190 -0.000 0.000) 35.190 4.576 ( 0.376 -0.000 0.000) 0.376 4.726 ( 0.125 -0.000 0.000) 0.125 4.840 ( 0.942 -0.000 0.000) 0.942 4.993 ( -1.021 0.000 0.000) 1.021 5.042 ( -4.223 0.000 0.000) 4.223 5.346 ( 3.392 -0.000 0.000) 3.392 5.762 ( -13.843 0.000 0.000) 13.843 6.303 ( 9.090 -0.000 0.000) 9.090 6.520 ( -1.854 0.000 0.000) 1.854 6.868 ( -1.777 0.000 0.000) 1.777 7.058 ( -10.807 0.000 0.000) 10.807 7.283 ( 3.965 -0.000 0.000) 3.965 7.797 ( 3.757 -0.000 0.000) 3.757 8.068 ( -0.445 0.000 0.000) 0.445 8.267 ( 1.017 -0.000 0.000) 1.017 8.440 ( 4.883 -0.000 0.000) 4.883 9.050 ( -3.909 0.000 0.000) 3.909 9.736 ( -1.741 0.000 0.000) 1.741 10.292 ( 23.993 -0.000 0.000) 23.993 12.850 ( 0.317 -0.000 0.000) 0.317 13.920 ( 2.510 -0.000 0.000) 2.510 14.932 ( 1.163 -0.000 0.000) 1.163 15.538 ( 2.982 -0.000 0.000) 2.982 16.710 ( -24.638 0.000 0.000) 24.638 17.236 ( -22.136 0.000 0.000) 22.136 17.681 ( 20.609 -0.000 0.000) 20.609 17.882 ( 7.976 -0.000 0.000) 7.976 18.685 ( -5.198 0.000 0.000) 5.198 18.845 ( 6.743 -0.000 0.000) 6.743 19.993 ( 23.929 -0.000 0.000) 23.929 20.054 ( -11.077 0.000 0.000) 11.077 20.314 ( -4.199 0.000 0.000) 4.199 22.434 ( 3.530 -0.000 0.000) 3.530 22.700 ( -17.128 0.000 0.000) 17.128 24.600 ( 6.428 -0.000 0.000) 6.428 47.001 ( -13.771 0.000 0.000) 13.771 47.781 ( 14.435 -0.000 0.000) 14.435 47.928 ( -9.560 0.000 0.000) 9.560 48.660 ( 12.641 -0.000 0.000) 12.641 97.937 ( -0.084 0.000 0.000) 0.084 97.950 ( -0.699 0.000 0.000) 0.699 98.457 ( -1.976 0.000 0.000) 1.976 98.747 ( -0.796 0.000 0.000) 0.796 99.188 ( 4.415 -0.000 0.000) 4.415 99.406 ( 11.284 -0.000 0.000) 11.284 99.641 ( -4.871 0.000 0.000) 4.871 100.711 ( -13.000 0.000 0.000) 13.000 ======================= Grid point 31 (21/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 6.106 5.154 0.000) 7.990 2.828 ( 13.077 -8.242 0.000) 15.458 2.933 ( 1.802 5.989 0.000) 6.254 3.162 ( 7.761 -8.741 0.000) 11.689 3.187 ( 1.048 7.792 0.000) 7.862 3.405 ( -1.958 -8.376 0.000) 8.601 3.430 ( -4.378 3.573 0.000) 5.651 3.441 ( -1.045 13.605 0.000) 13.645 3.643 ( -5.794 2.613 0.000) 6.356 3.775 ( -1.583 -8.106 0.000) 8.259 4.062 ( 1.110 -4.225 0.000) 4.369 4.079 ( -5.729 2.397 0.000) 6.210 4.603 ( 4.188 1.260 0.000) 4.373 4.695 ( 10.086 14.440 0.000) 17.614 4.776 ( 0.059 -5.963 0.000) 5.964 4.962 ( -1.454 1.457 0.000) 2.058 5.007 ( 18.753 -4.497 0.000) 19.285 5.012 ( -2.774 -3.101 0.000) 4.161 5.375 ( 1.947 1.990 0.000) 2.784 5.571 ( -8.362 0.176 0.000) 8.364 6.401 ( 5.815 1.446 0.000) 5.992 6.507 ( -1.446 -1.764 0.000) 2.281 6.854 ( -0.880 -1.022 0.000) 1.349 6.872 ( -12.094 1.605 0.000) 12.200 7.321 ( 2.275 1.630 0.000) 2.799 7.756 ( 1.731 9.173 0.000) 9.335 8.117 ( -1.841 -5.954 0.000) 6.232 8.239 ( 0.244 4.921 0.000) 4.927 8.502 ( 4.471 0.552 0.000) 4.505 8.958 ( -4.544 3.701 0.000) 5.860 9.690 ( -1.173 2.856 0.000) 3.088 10.590 ( 18.882 3.626 0.000) 19.227 12.854 ( 0.313 0.128 0.000) 0.338 13.991 ( 2.350 -4.483 0.000) 5.062 14.962 ( 1.060 -1.584 0.000) 1.906 15.593 ( 5.320 0.686 0.000) 5.364 16.362 ( -21.288 1.002 0.000) 21.312 16.985 ( -18.216 -6.897 0.000) 19.478 17.873 ( 8.154 4.088 0.000) 9.122 18.053 ( 9.794 -6.088 0.000) 11.532 18.636 ( -0.638 0.657 0.000) 0.915 18.883 ( 0.953 2.534 0.000) 2.708 19.922 ( -3.092 3.389 0.000) 4.588 20.260 ( -3.317 -0.349 0.000) 3.336 20.370 ( 22.063 -3.348 0.000) 22.316 22.466 ( -17.465 -3.942 0.000) 17.904 22.476 ( 2.465 0.378 0.000) 2.494 24.695 ( 4.844 -1.960 0.000) 5.225 46.822 ( -10.356 -0.134 0.000) 10.357 47.810 ( -7.022 -0.814 0.000) 7.069 47.963 ( 10.545 0.460 0.000) 10.556 48.819 ( 9.378 0.784 0.000) 9.411 97.937 ( -0.129 0.028 0.000) 0.132 97.940 ( -0.493 -0.078 0.000) 0.499 98.441 ( -1.528 -1.454 0.000) 2.109 98.731 ( -0.645 0.619 0.000) 0.894 99.247 ( 4.275 1.029 0.000) 4.397 99.534 ( -2.597 3.618 0.000) 4.454 99.578 ( 9.637 1.139 0.000) 9.704 100.522 ( -13.213 -1.036 0.000) 13.254 ======================= Grid point 32 (22/100) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 3.809 4.474 0.000) 5.876 2.859 ( 0.012 2.642 0.000) 2.642 2.977 ( 1.996 2.321 0.000) 3.062 3.079 ( 1.375 9.521 0.000) 9.620 3.100 ( -6.161 15.686 0.000) 16.852 3.354 ( -1.338 0.511 0.000) 1.432 3.527 ( 14.603 -5.874 0.000) 15.740 3.530 ( -1.192 -9.723 0.000) 9.795 3.573 ( -1.160 -1.988 0.000) 2.302 3.869 ( -0.319 -5.759 0.000) 5.768 3.957 ( -7.597 0.059 0.000) 7.597 4.137 ( 0.096 -6.388 0.000) 6.389 4.494 ( 3.769 22.931 0.000) 23.239 4.648 ( 2.092 1.937 0.000) 2.851 4.879 ( 0.087 -6.746 0.000) 6.746 4.909 ( -1.594 2.041 0.000) 2.589 5.061 ( -0.494 -6.689 0.000) 6.707 5.132 ( 1.505 7.244 0.000) 7.399 5.337 ( -0.201 4.838 0.000) 4.842 5.655 ( 8.753 -7.888 0.000) 11.782 6.445 ( 4.780 2.613 0.000) 5.448 6.533 ( -0.446 -3.715 0.000) 3.741 6.673 ( -10.472 2.319 0.000) 10.725 6.877 ( 0.049 -2.994 0.000) 2.995 7.294 ( 0.148 4.560 0.000) 4.563 7.602 ( 0.821 13.981 0.000) 14.005 8.139 ( 0.015 8.581 0.000) 8.581 8.150 ( -3.495 -4.140 0.000) 5.418 8.562 ( 4.154 -0.364 0.000) 4.170 8.822 ( -4.480 5.410 0.000) 7.024 9.629 ( -0.068 3.998 0.000) 3.998 10.712 ( 9.801 9.109 0.000) 13.380 12.855 ( 0.174 0.306 0.000) 0.352 14.114 ( 1.764 -7.714 0.000) 7.913 15.004 ( 0.557 -2.411 0.000) 2.474 15.679 ( 8.412 1.201 0.000) 8.498 16.062 ( -16.809 1.541 0.000) 16.880 16.908 ( -10.479 -11.237 0.000) 15.365 17.864 ( 1.393 5.110 0.000) 5.296 18.278 ( 6.495 -6.615 0.000) 9.271 18.641 ( 1.307 -0.413 0.000) 1.371 18.817 ( -1.243 5.234 0.000) 5.380 19.839 ( 0.002 5.611 0.000) 5.611 20.232 ( -1.780 -1.117 0.000) 2.101 20.700 ( 14.145 -3.710 0.000) 14.623 22.345 ( -11.503 -10.210 0.000) 15.381 22.491 ( 1.135 1.249 0.000) 1.688 24.804 ( 3.345 -4.498 0.000) 5.605 46.706 ( -5.587 -0.207 0.000) 5.591 47.751 ( -3.608 -1.804 0.000) 4.034 48.072 ( 5.518 0.999 0.000) 5.608 48.906 ( 4.909 1.828 0.000) 5.239 97.932 ( -0.261 -0.012 0.000) 0.261 97.940 ( -0.046 -0.171 0.000) 0.177 98.456 ( -0.772 -2.872 0.000) 2.974 98.711 ( -0.302 1.034 0.000) 1.078 99.276 ( 3.645 3.045 0.000) 4.750 99.401 ( -4.549 5.142 0.000) 6.865 99.706 ( 9.818 3.715 0.000) 10.498 100.369 ( -10.497 -2.836 0.000) 10.873 ======================= Grid point 33 (23/100) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 0.000 12.442 0.000) 12.442 2.727 ( 0.000 24.014 0.000) 24.014 2.889 ( -0.000 -2.387 0.000) 2.387 2.933 ( 0.000 3.649 0.000) 3.649 2.951 ( 0.000 8.241 0.000) 8.241 3.349 ( -0.000 -1.641 0.000) 1.641 3.611 ( -0.000 -3.978 0.000) 3.978 3.658 ( -0.000 -7.089 0.000) 7.089 3.757 ( -0.000 -6.167 0.000) 6.167 3.890 ( -0.000 -1.014 0.000) 1.014 3.958 ( -0.000 -8.561 0.000) 8.561 4.118 ( 0.000 26.624 0.000) 26.624 4.283 ( -0.000 -7.403 0.000) 7.403 4.604 ( 0.000 5.715 0.000) 5.715 4.838 ( 0.000 4.073 0.000) 4.073 4.998 ( -0.000 -7.607 0.000) 7.607 5.030 ( 0.000 5.595 0.000) 5.595 5.168 ( -0.000 -7.285 0.000) 7.285 5.248 ( 0.000 5.778 0.000) 5.778 5.845 ( -0.000 -6.917 0.000) 6.917 6.447 ( 0.000 7.250 0.000) 7.250 6.527 ( 0.000 2.815 0.000) 2.815 6.597 ( -0.000 -4.978 0.000) 4.978 6.942 ( -0.000 -5.276 0.000) 5.276 7.202 ( 0.000 7.084 0.000) 7.084 7.393 ( 0.000 13.702 0.000) 13.702 7.998 ( 0.000 10.163 0.000) 10.163 8.160 ( -0.000 -1.679 0.000) 1.679 8.642 ( -0.000 -3.909 0.000) 3.909 8.670 ( 0.000 8.245 0.000) 8.245 9.570 ( 0.000 4.103 0.000) 4.103 10.609 ( 0.000 14.131 0.000) 14.131 12.850 ( 0.000 0.448 0.000) 0.448 14.257 ( -0.000 -9.310 0.000) 9.310 15.045 ( -0.000 -2.407 0.000) 2.407 15.788 ( 0.000 0.970 0.000) 0.970 15.844 ( 0.000 2.724 0.000) 2.724 16.999 ( -0.000 -11.275 0.000) 11.275 17.792 ( 0.000 5.406 0.000) 5.406 18.397 ( -0.000 -1.766 0.000) 1.766 18.692 ( -0.000 -5.661 0.000) 5.661 18.712 ( 0.000 7.349 0.000) 7.349 19.744 ( 0.000 7.367 0.000) 7.367 20.243 ( -0.000 -2.168 0.000) 2.168 20.865 ( -0.000 -4.736 0.000) 4.736 22.457 ( -0.000 -16.236 0.000) 16.236 22.473 ( 0.000 2.314 0.000) 2.314 24.911 ( -0.000 -5.872 0.000) 5.872 46.668 ( -0.000 -0.255 0.000) 0.255 47.759 ( -0.000 -2.812 0.000) 2.812 48.094 ( 0.000 1.439 0.000) 1.439 48.908 ( 0.000 2.759 0.000) 2.759 97.931 ( -0.000 -0.084 0.000) 0.084 97.942 ( -0.000 -0.200 0.000) 0.200 98.501 ( -0.000 -3.935 0.000) 3.935 98.692 ( 0.000 1.377 0.000) 1.377 99.254 ( 0.000 6.608 0.000) 6.608 99.276 ( 0.000 3.662 0.000) 3.662 99.713 ( 0.000 5.821 0.000) 5.821 100.336 ( -0.000 -3.970 0.000) 3.970 ======================= Grid point 40 (24/100) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.783 -0.000 0.000) 0.783 2.881 ( -6.363 0.000 0.000) 6.363 2.954 ( 8.424 -0.000 0.000) 8.424 3.240 ( -2.319 0.000 0.000) 2.319 3.341 ( 16.072 -0.000 0.000) 16.072 3.360 ( 3.247 -0.000 0.000) 3.247 3.404 ( 0.354 -0.000 0.000) 0.354 3.576 ( -3.304 0.000 0.000) 3.304 3.588 ( -5.288 0.000 0.000) 5.288 3.637 ( 0.107 -0.000 0.000) 0.107 4.011 ( -2.368 0.000 0.000) 2.368 4.014 ( -5.769 0.000 0.000) 5.769 4.663 ( 3.895 -0.000 0.000) 3.895 4.730 ( 0.096 -0.000 0.000) 0.096 4.903 ( 1.964 -0.000 0.000) 1.964 4.947 ( -1.828 0.000 0.000) 1.828 4.959 ( -0.911 0.000 0.000) 0.911 5.307 ( 20.812 -0.000 0.000) 20.812 5.425 ( 1.783 -0.000 0.000) 1.783 5.441 ( -6.822 0.000 0.000) 6.822 6.474 ( -0.948 0.000 0.000) 0.948 6.478 ( 3.552 -0.000 0.000) 3.552 6.692 ( -12.039 0.000 0.000) 12.039 6.834 ( -0.579 0.000 0.000) 0.579 7.366 ( 1.501 -0.000 0.000) 1.501 7.838 ( 0.069 -0.000 0.000) 0.069 8.068 ( 0.222 -0.000 0.000) 0.222 8.276 ( -0.074 0.000 0.000) 0.074 8.550 ( 2.087 -0.000 0.000) 2.087 8.932 ( -2.993 0.000 0.000) 2.993 9.697 ( -0.665 0.000 0.000) 0.665 10.846 ( 11.059 -0.000 0.000) 11.059 12.859 ( 0.208 -0.000 0.000) 0.208 13.986 ( 1.459 -0.000 0.000) 1.459 14.963 ( 0.660 -0.000 0.000) 0.660 15.698 ( 8.301 -0.000 0.000) 8.301 16.086 ( -16.915 0.000 0.000) 16.915 16.715 ( -10.604 0.000 0.000) 10.604 18.036 ( 4.077 -0.000 0.000) 4.077 18.059 ( 3.409 -0.000 0.000) 3.409 18.656 ( 1.889 -0.000 0.000) 1.889 18.897 ( -1.061 0.000 0.000) 1.061 19.927 ( -0.000 0.000 0.000) 0.000 20.217 ( -1.929 0.000 0.000) 1.929 20.645 ( 16.456 -0.000 0.000) 16.456 22.194 ( -13.751 0.000 0.000) 13.751 22.508 ( 1.362 -0.000 0.000) 1.362 24.730 ( 2.283 -0.000 0.000) 2.283 46.703 ( -5.548 0.000 0.000) 5.548 47.724 ( -3.756 0.000 0.000) 3.756 48.087 ( 5.591 -0.000 0.000) 5.591 48.933 ( 5.077 -0.000 0.000) 5.077 97.932 ( -0.382 0.000 0.000) 0.382 97.937 ( 0.022 -0.000 0.000) 0.022 98.412 ( -0.880 0.000 0.000) 0.880 98.727 ( -0.414 0.000 0.000) 0.414 99.321 ( 4.271 -0.000 0.000) 4.271 99.492 ( -4.698 0.000 0.000) 4.698 99.760 ( 11.324 -0.000 0.000) 11.324 100.322 ( -11.918 0.000 0.000) 11.918 ======================= Grid point 41 (25/100) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 0.000 0.432 0.000) 0.432 2.840 ( -0.000 -0.893 0.000) 0.893 3.010 ( 0.000 0.183 0.000) 0.183 3.206 ( 0.000 4.195 0.000) 4.195 3.314 ( 0.000 15.571 0.000) 15.571 3.384 ( 0.000 3.872 0.000) 3.872 3.405 ( -0.000 -4.029 0.000) 4.029 3.552 ( -0.000 -1.235 0.000) 1.235 3.632 ( -0.000 -2.161 0.000) 2.161 3.685 ( -0.000 -9.825 0.000) 9.825 3.940 ( 0.000 2.650 0.000) 2.650 4.031 ( -0.000 -5.568 0.000) 5.568 4.691 ( 0.000 0.806 0.000) 0.806 4.776 ( -0.000 -5.748 0.000) 5.748 4.809 ( 0.000 14.337 0.000) 14.337 4.937 ( 0.000 2.047 0.000) 2.047 4.968 ( -0.000 -4.532 0.000) 4.532 5.262 ( 0.000 9.692 0.000) 9.692 5.408 ( 0.000 3.727 0.000) 3.727 5.607 ( -0.000 -10.249 0.000) 10.249 6.484 ( -0.000 -2.219 0.000) 2.219 6.520 ( 0.000 0.236 0.000) 0.236 6.572 ( 0.000 0.392 0.000) 0.392 6.841 ( -0.000 -1.595 0.000) 1.595 7.356 ( 0.000 2.876 0.000) 2.876 7.777 ( 0.000 8.163 0.000) 8.163 8.085 ( -0.000 -1.967 0.000) 1.967 8.239 ( 0.000 4.830 0.000) 4.830 8.573 ( -0.000 -1.016 0.000) 1.016 8.874 ( 0.000 4.540 0.000) 4.540 9.674 ( 0.000 2.300 0.000) 2.300 10.893 ( 0.000 4.865 0.000) 4.865 12.860 ( 0.000 0.157 0.000) 0.157 14.032 ( -0.000 -4.656 0.000) 4.656 14.979 ( -0.000 -1.475 0.000) 1.475 15.811 ( 0.000 0.460 0.000) 0.460 15.898 ( 0.000 0.960 0.000) 0.960 16.689 ( -0.000 -7.107 0.000) 7.107 17.964 ( 0.000 6.725 0.000) 6.725 18.200 ( -0.000 -8.861 0.000) 8.861 18.665 ( 0.000 1.025 0.000) 1.025 18.866 ( 0.000 2.789 0.000) 2.789 19.907 ( 0.000 3.102 0.000) 3.102 20.206 ( -0.000 -0.503 0.000) 0.503 20.785 ( -0.000 -1.084 0.000) 1.084 22.125 ( -0.000 -5.856 0.000) 5.856 22.514 ( 0.000 0.609 0.000) 0.609 24.769 ( -0.000 -2.921 0.000) 2.921 46.663 ( -0.000 -0.098 0.000) 0.098 47.703 ( -0.000 -0.945 0.000) 0.945 48.124 ( 0.000 0.537 0.000) 0.537 48.964 ( 0.000 0.968 0.000) 0.968 97.929 ( -0.000 -0.027 0.000) 0.027 97.938 ( -0.000 -0.080 0.000) 0.080 98.417 ( -0.000 -1.558 0.000) 1.558 98.720 ( 0.000 0.508 0.000) 0.508 99.353 ( 0.000 1.390 0.000) 1.390 99.419 ( 0.000 3.596 0.000) 3.596 99.845 ( 0.000 2.596 0.000) 2.596 100.232 ( -0.000 -2.412 0.000) 2.412 ======================= Grid point 81 (26/100) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 0.000 32.695) 32.695 0.666 ( 0.000 0.000 34.815) 34.815 1.068 ( 0.000 0.000 54.757) 54.757 2.834 ( 0.000 0.000 3.224) 3.224 3.095 ( 0.000 0.000 0.850) 0.850 3.250 ( 0.000 0.000 -13.148) 13.148 3.494 ( 0.000 0.000 -17.261) 17.261 3.963 ( 0.000 0.000 3.296) 3.296 4.021 ( 0.000 0.000 -1.480) 1.480 4.037 ( 0.000 0.000 -2.895) 2.895 4.081 ( 0.000 0.000 -7.080) 7.080 4.253 ( 0.000 0.000 -1.352) 1.352 4.310 ( 0.000 0.000 7.372) 7.372 4.341 ( 0.000 0.000 2.393) 2.393 4.632 ( 0.000 0.000 8.255) 8.255 4.754 ( 0.000 0.000 8.701) 8.701 5.023 ( 0.000 0.000 -12.413) 12.413 5.150 ( 0.000 0.000 -4.049) 4.049 5.290 ( 0.000 0.000 -2.393) 2.393 5.465 ( 0.000 0.000 -2.547) 2.547 6.644 ( 0.000 0.000 4.766) 4.766 6.692 ( 0.000 0.000 -2.095) 2.095 7.043 ( 0.000 0.000 3.984) 3.984 7.057 ( 0.000 0.000 2.767) 2.767 7.425 ( 0.000 0.000 -0.689) 0.689 7.509 ( 0.000 0.000 -5.483) 5.483 7.966 ( 0.000 0.000 -0.845) 0.845 8.022 ( 0.000 0.000 4.624) 4.624 8.056 ( 0.000 0.000 -4.004) 4.004 8.131 ( 0.000 0.000 3.174) 3.174 8.763 ( 0.000 0.000 0.632) 0.632 9.598 ( 0.000 0.000 -6.276) 6.276 13.245 ( 0.000 0.000 2.294) 2.294 13.781 ( 0.000 0.000 -5.029) 5.029 15.191 ( 0.000 0.000 7.471) 7.471 15.796 ( 0.000 0.000 6.242) 6.242 15.989 ( 0.000 0.000 -2.663) 2.663 17.132 ( 0.000 0.000 -11.103) 11.103 17.399 ( 0.000 0.000 4.440) 4.440 18.062 ( 0.000 0.000 -4.491) 4.491 18.408 ( 0.000 0.000 7.303) 7.303 19.192 ( 0.000 0.000 -3.766) 3.766 19.399 ( 0.000 0.000 11.708) 11.708 21.316 ( 0.000 0.000 -11.325) 11.325 21.664 ( 0.000 0.000 1.750) 1.750 22.123 ( 0.000 0.000 -3.971) 3.971 23.398 ( 0.000 0.000 4.307) 4.307 23.923 ( 0.000 0.000 -2.234) 2.234 47.294 ( 0.000 0.000 1.681) 1.681 47.708 ( 0.000 0.000 -5.324) 5.324 48.053 ( 0.000 0.000 6.378) 6.378 48.606 ( 0.000 0.000 -2.202) 2.202 97.941 ( 0.000 0.000 0.237) 0.237 97.957 ( 0.000 0.000 0.063) 0.063 98.794 ( 0.000 0.000 0.615) 0.615 98.899 ( 0.000 0.000 -0.563) 0.563 99.009 ( 0.000 0.000 1.785) 1.785 99.351 ( 0.000 0.000 -2.112) 2.112 99.775 ( 0.000 0.000 0.571) 0.571 99.821 ( 0.000 0.000 0.057) 0.057 ======================= Grid point 82 (27/100) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 5.521 -18.634 20.885) 28.529 0.841 ( 10.505 -16.220 22.251) 29.471 1.585 ( 27.861 -23.353 39.017) 53.329 2.883 ( 6.069 0.046 2.747) 6.662 3.097 ( 0.807 0.672 -1.188) 1.586 3.220 ( -0.573 2.616 -11.275) 11.589 3.454 ( -0.747 0.333 -16.453) 16.473 3.786 ( -13.702 1.940 1.888) 13.967 4.043 ( 0.930 1.387 -3.267) 3.669 4.058 ( -3.476 -1.102 -6.467) 7.425 4.170 ( -5.848 -4.696 -4.865) 8.939 4.294 ( -0.490 1.746 7.313) 7.534 4.353 ( 3.993 -0.848 2.270) 4.671 4.544 ( 9.953 -3.019 -2.748) 10.758 4.617 ( 2.925 -3.980 0.857) 5.013 4.773 ( 1.969 -0.814 7.909) 8.191 5.021 ( -0.498 -0.267 -10.523) 10.538 5.144 ( -1.995 -0.897 -3.087) 3.784 5.257 ( -0.227 1.319 -2.614) 2.937 5.488 ( 2.154 -3.277 -0.019) 3.921 6.590 ( -1.630 8.011 -2.761) 8.628 6.652 ( -1.422 -1.445 3.033) 3.647 7.004 ( 3.009 12.319 -0.102) 12.682 7.037 ( 4.572 8.613 3.433) 10.338 7.244 ( 10.952 16.734 11.440) 23.041 7.361 ( -3.063 4.603 -0.895) 5.601 7.756 ( 6.449 1.325 2.995) 7.233 8.061 ( -0.380 -4.671 -1.744) 5.001 8.100 ( 4.902 1.915 8.068) 9.633 8.768 ( 12.884 -5.896 -3.539) 14.604 8.969 ( 3.972 -19.848 -22.498) 30.264 9.613 ( -0.050 -1.937 -6.674) 6.949 13.032 ( -3.624 8.195 12.090) 15.048 13.990 ( -7.269 -18.102 -17.468) 26.185 15.186 ( -6.281 -4.900 8.196) 11.429 15.725 ( -12.348 4.217 10.548) 16.779 15.925 ( 15.085 -1.126 6.175) 16.339 17.389 ( 19.799 4.111 -13.083) 24.085 17.460 ( 9.235 -0.599 -2.244) 9.522 18.103 ( 1.818 -3.746 -4.694) 6.275 18.345 ( -8.158 0.136 7.203) 10.884 19.178 ( -3.237 -1.722 -4.121) 5.516 19.365 ( -2.617 1.254 10.980) 11.357 20.972 ( -14.108 20.901 23.636) 34.562 21.257 ( -6.220 7.857 -5.614) 11.487 22.147 ( 0.922 -1.733 -4.789) 5.176 23.686 ( -13.179 -8.619 -6.243) 16.940 24.108 ( -5.207 -29.767 -12.657) 32.762 46.996 ( -2.957 10.253 16.454) 19.611 47.771 ( -1.387 -2.852 -8.501) 9.073 48.067 ( -3.894 -3.824 6.386) 8.400 48.592 ( -3.797 -1.868 -2.188) 4.764 97.945 ( 0.500 0.090 0.278) 0.579 97.960 ( 0.275 0.179 0.265) 0.422 98.773 ( -2.595 2.233 2.216) 4.078 98.795 ( -10.381 2.628 7.671) 13.173 98.974 ( -1.348 -0.211 6.612) 6.752 99.046 ( 0.283 -2.778 4.187) 5.033 99.651 ( 12.203 15.639 0.068) 19.836 100.513 ( 26.620 0.452 -25.517) 36.878 ======================= Grid point 83 (28/100) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 8.576 -18.600 14.553) 25.126 1.377 ( 18.645 -22.491 4.190) 29.513 2.333 ( 23.931 -21.428 23.331) 39.701 2.972 ( 6.904 2.530 2.162) 7.664 3.081 ( -1.347 1.290 -9.537) 9.718 3.195 ( 3.675 1.392 0.734) 3.997 3.487 ( 3.755 -1.052 -12.760) 13.342 3.582 ( -12.459 -2.448 0.113) 12.698 3.950 ( -8.357 3.929 -3.485) 9.871 3.998 ( -2.108 4.708 -3.821) 6.420 4.126 ( -6.070 -4.975 -1.403) 7.973 4.245 ( 0.038 3.999 7.486) 8.487 4.404 ( -0.045 0.424 1.369) 1.434 4.515 ( -2.291 0.577 7.023) 7.410 4.780 ( 4.251 0.571 -6.664) 7.925 4.832 ( 3.327 -1.837 7.097) 8.050 5.051 ( 5.077 -1.057 -5.918) 7.869 5.118 ( -2.453 -0.686 -0.456) 2.588 5.270 ( -1.262 -2.824 -2.724) 4.122 5.642 ( 5.749 -8.673 -3.179) 10.880 6.384 ( -6.265 11.744 -3.168) 13.682 6.673 ( -0.078 -1.865 0.112) 1.870 6.847 ( 9.332 19.145 -3.097) 21.522 6.970 ( 0.885 6.531 6.908) 9.548 7.246 ( -0.577 2.657 -0.162) 2.723 7.301 ( 4.179 -0.688 6.414) 7.686 7.781 ( -0.500 2.123 -3.989) 4.546 8.127 ( 3.531 0.862 6.439) 7.394 8.245 ( 8.273 -9.141 5.469) 13.488 9.008 ( 13.670 -2.273 -2.624) 14.104 9.169 ( -0.429 -6.437 -14.023) 15.436 9.642 ( -2.124 -3.776 -7.355) 8.536 12.933 ( -1.145 2.232 8.630) 8.987 14.064 ( -7.459 -8.753 -15.424) 19.239 15.160 ( -5.863 -4.393 10.280) 12.624 15.575 ( -4.795 1.265 6.241) 7.971 16.232 ( 22.277 -1.854 6.034) 23.154 17.555 ( 7.278 -3.883 3.350) 8.903 17.646 ( 17.358 5.309 -11.749) 21.622 18.157 ( -12.438 -0.764 4.205) 13.152 18.231 ( 0.177 -5.860 -2.997) 6.584 19.120 ( -6.128 1.813 0.923) 6.457 19.338 ( -0.501 -3.002 3.528) 4.660 20.650 ( -5.365 8.005 13.917) 16.928 20.992 ( -13.820 8.182 -4.972) 16.812 22.194 ( 1.410 -1.921 -7.259) 7.641 23.528 ( -7.624 4.713 1.881) 9.158 24.353 ( -8.436 -18.136 -10.150) 22.430 46.963 ( 8.269 3.040 9.469) 12.934 47.755 ( -3.684 0.041 -6.943) 7.860 48.064 ( -1.297 -1.885 6.220) 6.627 48.549 ( -7.162 -3.271 -2.074) 8.142 97.950 ( 0.449 0.309 0.460) 0.713 97.959 ( 0.138 0.174 0.466) 0.516 98.654 ( -4.236 0.305 5.591) 7.021 98.736 ( -0.969 2.331 -0.443) 2.563 99.018 ( 2.514 -2.332 2.899) 4.490 99.114 ( 1.484 -3.937 4.683) 6.295 99.589 ( 4.527 9.479 -0.219) 10.507 100.710 ( 12.163 6.264 -16.008) 21.057 ======================= Grid point 84 (29/100) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 8.166 -15.533 11.441) 20.949 1.972 ( 18.465 -20.183 0.485) 27.359 2.740 ( 5.881 -2.667 5.910) 8.754 2.943 ( -1.210 6.508 -4.104) 7.789 3.073 ( 1.113 3.081 -1.821) 3.748 3.321 ( 6.364 -5.398 4.906) 9.681 3.525 ( -1.821 -7.020 0.724) 7.288 3.610 ( 6.387 -3.197 -8.666) 11.230 3.747 ( -6.208 2.857 3.389) 7.628 3.914 ( -0.927 2.338 -5.188) 5.766 4.092 ( -5.886 -0.535 -1.302) 6.052 4.195 ( 1.407 3.703 6.529) 7.636 4.330 ( -4.539 2.885 4.943) 7.305 4.505 ( -1.715 -1.899 -0.535) 2.614 4.764 ( -0.943 1.867 -3.243) 3.859 4.928 ( 4.625 -2.085 6.764) 8.455 5.097 ( -1.021 -1.245 3.147) 3.535 5.193 ( 6.009 -3.997 -4.362) 8.433 5.276 ( -2.532 -2.137 0.816) 3.412 5.862 ( 2.599 -11.346 -4.554) 12.499 6.084 ( -7.585 13.723 -1.907) 15.795 6.638 ( 4.923 13.811 -9.291) 17.358 6.755 ( -0.152 0.485 3.554) 3.590 6.886 ( -0.123 4.905 7.778) 9.197 7.206 ( 2.037 3.969 -2.451) 5.090 7.403 ( 2.039 -5.406 5.769) 8.165 7.720 ( -0.420 4.320 -7.343) 8.530 8.159 ( 2.561 0.724 10.709) 11.035 8.517 ( 8.803 -8.599 2.334) 12.526 9.190 ( -1.009 -5.200 -10.859) 12.081 9.249 ( 13.378 3.232 -2.048) 13.914 9.650 ( -6.492 -5.513 -7.525) 11.365 12.904 ( -0.395 0.681 6.587) 6.634 14.064 ( -4.752 -4.100 -13.677) 15.048 15.152 ( -3.084 -3.371 10.540) 11.488 15.509 ( -2.447 0.927 3.331) 4.236 16.602 ( 23.797 -1.273 6.095) 24.598 17.723 ( 6.304 -2.294 5.472) 8.657 17.787 ( 6.230 0.160 -6.044) 8.681 17.936 ( -12.188 0.111 4.305) 12.927 18.360 ( 1.745 -6.652 -7.170) 9.935 18.956 ( -7.727 5.065 5.227) 10.616 19.453 ( 5.782 -6.851 -2.804) 9.393 20.491 ( -7.628 3.987 2.197) 8.883 20.649 ( -12.088 8.949 3.625) 15.471 22.236 ( 1.114 -1.120 -10.061) 10.184 23.369 ( -3.797 4.902 5.931) 8.580 24.436 ( -5.657 -8.319 -8.143) 12.943 47.092 ( 12.867 1.628 5.051) 13.918 47.660 ( -9.388 -0.498 -3.572) 10.057 48.098 ( 4.505 0.566 3.531) 5.752 48.480 ( -8.908 -3.561 -1.802) 9.761 97.949 ( 0.124 0.262 0.614) 0.679 97.959 ( 0.158 0.209 0.424) 0.498 98.617 ( -2.113 -1.096 1.676) 2.911 98.686 ( -0.558 2.775 -1.023) 3.010 99.099 ( 3.061 -2.755 2.131) 4.637 99.189 ( 0.495 -3.675 5.377) 6.531 99.513 ( 1.804 6.844 0.394) 7.088 100.758 ( 5.680 4.040 -11.446) 13.402 ======================= Grid point 85 (30/100) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 4.093 -7.301 11.329) 14.085 2.489 ( 14.673 -15.582 1.756) 21.475 2.735 ( -1.071 3.775 4.632) 6.071 2.860 ( 0.489 2.204 -3.903) 4.509 2.921 ( -8.612 9.008 -2.800) 12.773 3.341 ( -2.984 1.077 -5.517) 6.364 3.576 ( -1.736 -1.387 -1.319) 2.584 3.717 ( 8.161 -3.624 -3.705) 9.668 3.894 ( 2.564 -5.281 1.866) 6.161 3.912 ( 4.573 -0.501 1.257) 4.769 3.961 ( -6.901 3.684 -1.895) 8.049 4.183 ( 1.772 1.034 4.622) 5.057 4.236 ( -3.188 1.102 7.164) 7.919 4.507 ( -1.077 -1.180 -3.469) 3.820 4.730 ( -0.878 0.536 2.045) 2.289 4.994 ( 1.473 -0.158 4.924) 5.142 5.128 ( 1.627 -1.989 7.860) 8.269 5.233 ( -2.728 -0.247 2.240) 3.539 5.348 ( 2.813 -4.388 -4.037) 6.593 5.784 ( -5.439 8.337 -2.751) 10.328 6.056 ( 1.381 -7.020 -3.745) 8.076 6.491 ( 2.054 10.082 -10.608) 14.779 6.766 ( -1.232 -2.135 3.508) 4.287 6.832 ( 0.489 2.546 8.443) 8.832 7.185 ( 0.949 1.784 -2.694) 3.368 7.499 ( 0.243 -4.504 5.488) 7.104 7.655 ( 0.530 4.027 -9.860) 10.664 8.180 ( 0.881 0.091 11.328) 11.362 8.707 ( 3.868 -3.229 1.347) 5.216 9.210 ( -1.949 -2.378 -8.991) 9.503 9.392 ( 10.801 4.117 -3.210) 11.997 9.615 ( -7.267 -4.427 -7.334) 11.234 12.895 ( -0.096 0.150 5.813) 5.816 14.055 ( -1.620 -1.221 -12.945) 13.103 15.160 ( -0.875 -1.372 10.257) 10.385 15.474 ( -0.849 0.477 2.132) 2.344 16.925 ( 15.450 -0.373 5.997) 16.578 17.605 ( -12.354 0.308 6.676) 14.046 17.897 ( 3.218 -1.650 1.515) 3.921 17.927 ( 3.433 -0.672 -0.639) 3.556 18.450 ( 0.587 -2.682 -8.710) 9.133 18.795 ( -4.151 2.912 5.139) 7.220 19.677 ( 8.840 -6.059 -4.730) 11.715 20.215 ( -13.037 5.972 -5.929) 15.517 20.502 ( -0.753 2.059 11.901) 12.101 22.258 ( 0.402 -0.287 -11.912) 11.922 23.282 ( -1.118 1.888 8.100) 8.392 24.454 ( -2.024 -2.327 -7.524) 8.131 47.265 ( 11.898 1.152 2.392) 12.190 47.512 ( -10.784 -0.922 -0.647) 10.843 48.160 ( 4.476 1.094 1.513) 4.849 48.406 ( -5.687 -2.026 -1.437) 6.205 97.948 ( 0.057 0.062 0.570) 0.576 97.957 ( 0.010 0.136 0.476) 0.495 98.617 ( -1.068 -1.995 -0.326) 2.287 98.643 ( 0.178 2.613 -1.195) 2.879 99.179 ( 2.782 -1.752 1.718) 3.710 99.221 ( -1.496 -1.351 4.805) 5.211 99.454 ( 0.597 2.994 1.925) 3.610 100.771 ( 1.691 1.327 -9.719) 9.954 ======================= Grid point 91 (31/100) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 26.560 -0.000 4.727) 26.977 0.954 ( 20.039 -0.000 19.136) 27.708 1.929 ( 36.741 -0.000 35.777) 51.282 3.004 ( 9.168 -0.000 1.992) 9.382 3.112 ( -0.046 0.000 -5.319) 5.319 3.271 ( 2.799 -0.000 -1.829) 3.343 3.336 ( -5.100 0.000 -15.212) 16.044 3.584 ( -14.767 0.000 0.575) 14.778 3.982 ( -4.135 0.000 -4.979) 6.472 4.070 ( -3.908 0.000 -3.013) 4.935 4.079 ( -5.413 0.000 -4.522) 7.053 4.297 ( -0.742 0.000 6.235) 6.279 4.420 ( 4.926 -0.000 1.605) 5.181 4.536 ( -3.868 0.000 8.223) 9.087 4.783 ( 16.976 -0.000 -8.511) 18.989 4.790 ( 1.663 -0.000 7.726) 7.903 4.985 ( -3.218 0.000 -7.207) 7.893 5.111 ( -1.664 0.000 -0.325) 1.695 5.255 ( -1.691 0.000 -1.335) 2.155 5.542 ( 8.310 -0.000 -0.531) 8.327 6.580 ( -8.663 0.000 -3.879) 9.492 6.607 ( -0.915 0.000 1.971) 2.173 7.031 ( -1.550 0.000 2.343) 2.809 7.111 ( 2.538 -0.000 7.008) 7.453 7.329 ( 0.394 -0.000 -3.481) 3.503 7.459 ( -3.659 0.000 -1.504) 3.956 8.002 ( 2.123 -0.000 -3.381) 3.992 8.035 ( 3.985 -0.000 -0.281) 3.995 8.281 ( 6.929 -0.000 6.683) 9.626 8.886 ( 14.757 -0.000 -24.546) 28.641 8.966 ( 13.406 -0.000 -2.845) 13.705 9.615 ( 1.334 -0.000 -8.705) 8.806 13.015 ( -5.964 0.000 11.928) 13.336 13.780 ( 0.027 -0.000 -5.456) 5.456 15.071 ( -4.465 0.000 7.825) 9.009 15.600 ( -6.563 0.000 7.052) 9.634 16.203 ( 23.046 -0.000 6.058) 23.829 17.474 ( 5.338 -0.000 4.694) 7.108 17.838 ( 18.960 -0.000 -25.559) 31.824 18.087 ( -0.662 0.000 -4.049) 4.103 18.176 ( -14.071 0.000 7.071) 15.748 19.090 ( -4.917 0.000 -5.002) 7.014 19.318 ( -4.303 0.000 11.244) 12.039 20.835 ( -17.573 0.000 14.174) 22.576 21.159 ( -16.436 0.000 3.128) 16.731 22.156 ( 2.046 -0.000 -5.150) 5.541 23.358 ( -3.114 0.000 4.742) 5.673 24.043 ( 7.585 -0.000 -4.460) 8.799 47.040 ( 2.877 -0.000 13.614) 13.915 47.744 ( -2.030 0.000 -5.660) 6.013 47.999 ( 0.877 -0.000 6.456) 6.516 48.500 ( -6.918 0.000 -1.962) 7.191 97.955 ( 0.718 -0.000 0.371) 0.808 97.962 ( -0.125 0.000 0.767) 0.777 98.664 ( -6.592 0.000 7.717) 10.149 98.771 ( -1.331 0.000 -0.926) 1.621 98.990 ( 3.179 -0.000 3.877) 5.014 99.046 ( 2.417 -0.000 3.530) 4.278 99.810 ( -0.940 0.000 0.010) 0.940 100.885 ( 11.512 -0.000 -31.675) 33.702 ======================= Grid point 92 (32/100) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 23.589 -1.802 9.614) 25.536 1.462 ( 27.673 -13.100 0.004) 30.617 2.497 ( 24.951 -9.131 23.676) 35.588 3.077 ( 1.459 1.667 -7.503) 7.824 3.119 ( 4.087 1.024 -0.036) 4.213 3.290 ( 4.784 1.764 3.081) 5.957 3.379 ( -1.777 -3.888 -5.605) 7.049 3.464 ( 0.985 -3.525 -6.664) 7.603 3.855 ( -10.461 2.416 -1.897) 10.903 3.970 ( -6.475 1.166 -2.880) 7.183 4.024 ( -3.446 -1.845 -2.317) 4.544 4.273 ( -1.162 1.280 5.329) 5.602 4.392 ( -6.739 1.354 5.016) 8.509 4.518 ( 1.854 1.876 1.330) 2.954 4.836 ( 2.105 -2.599 6.620) 7.417 4.877 ( 0.737 4.326 -2.776) 5.192 5.066 ( 6.508 -6.513 -5.785) 10.874 5.091 ( -0.450 0.541 3.921) 3.984 5.224 ( -2.523 -0.483 -1.118) 2.802 5.689 ( 9.913 -0.315 -4.027) 10.705 6.375 ( -12.206 5.355 -2.899) 13.640 6.613 ( -1.219 -2.370 1.393) 3.007 6.976 ( -1.007 3.704 3.787) 5.392 7.133 ( 0.441 1.067 0.332) 1.201 7.336 ( 1.831 6.163 -0.383) 6.441 7.408 ( 3.892 2.519 -0.093) 4.637 7.922 ( 3.775 11.993 -6.447) 14.130 8.165 ( 5.120 -7.973 2.163) 9.719 8.321 ( 7.399 4.530 10.872) 13.909 9.051 ( 0.151 -4.369 -13.514) 14.203 9.224 ( 17.994 -2.548 -4.730) 18.779 9.624 ( 0.425 1.227 -10.282) 10.364 12.940 ( -1.925 1.514 8.802) 9.137 13.850 ( -1.921 -8.013 -7.984) 11.474 15.042 ( -2.619 -2.766 8.416) 9.238 15.534 ( -2.483 0.498 3.587) 4.391 16.578 ( 26.591 -0.365 6.032) 27.269 17.587 ( 6.345 -3.317 4.464) 8.437 17.856 ( -14.316 1.741 1.836) 14.538 17.989 ( -3.695 3.415 -2.940) 5.827 18.189 ( 8.794 -4.350 -11.427) 15.061 19.033 ( -5.990 -0.307 -1.916) 6.296 19.297 ( 2.069 -2.691 5.225) 6.231 20.599 ( -11.611 2.655 4.536) 12.746 20.869 ( -16.209 4.823 5.961) 17.932 22.197 ( 2.089 -1.044 -7.117) 7.490 23.347 ( -8.675 -5.548 4.824) 11.371 24.199 ( 7.093 -4.661 -6.189) 10.504 47.141 ( 11.580 1.305 7.532) 13.876 47.645 ( -10.698 -0.358 -1.804) 10.855 48.090 ( 8.284 -0.923 2.233) 8.629 48.393 ( -8.954 -1.717 -1.517) 9.243 97.957 ( -0.223 0.207 0.898) 0.948 97.964 ( 0.367 0.084 0.473) 0.605 98.596 ( -3.419 -0.350 4.065) 5.323 98.743 ( -1.312 0.993 -1.968) 2.565 99.054 ( 4.950 -0.305 2.591) 5.596 99.104 ( 3.139 -1.906 5.330) 6.473 99.741 ( -0.790 6.162 -0.121) 6.214 100.909 ( 1.048 4.916 -19.155) 19.803 ======================= Grid point 93 (33/100) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 20.521 -2.902 9.238) 22.691 2.051 ( 25.044 -13.069 -1.520) 28.290 2.783 ( 3.023 -3.971 7.424) 8.945 3.013 ( -2.099 6.152 -7.106) 9.630 3.171 ( 3.561 5.596 -1.578) 6.818 3.354 ( 3.960 -0.054 3.940) 5.587 3.425 ( -0.903 -3.842 -7.257) 8.261 3.630 ( 3.332 -2.511 -3.160) 5.234 3.724 ( 7.052 -2.765 8.938) 11.716 3.906 ( -3.100 -2.922 -4.072) 5.893 3.995 ( -3.324 -0.435 -3.870) 5.120 4.234 ( -3.895 1.042 6.088) 7.302 4.247 ( -7.340 0.474 5.984) 9.482 4.501 ( 0.926 2.125 -2.036) 3.085 4.802 ( -1.301 3.558 -0.962) 3.909 4.942 ( 3.522 -4.307 8.179) 9.892 5.079 ( -0.138 0.605 7.349) 7.375 5.200 ( -2.396 -1.318 -0.346) 2.756 5.223 ( 3.868 -3.989 -4.120) 6.917 5.805 ( 3.128 -0.811 -5.113) 6.048 6.118 ( -8.253 6.508 -3.163) 10.976 6.631 ( -1.972 -3.047 0.613) 3.681 6.905 ( 0.272 5.917 2.863) 6.579 7.048 ( 0.837 10.662 -2.474) 10.977 7.294 ( 0.830 1.126 2.828) 3.155 7.421 ( 4.538 5.598 1.259) 7.315 7.838 ( 5.128 8.152 -9.846) 13.773 8.280 ( 5.241 4.129 10.625) 12.547 8.460 ( 4.494 -10.820 6.129) 13.222 9.067 ( -4.618 -3.636 -9.137) 10.864 9.522 ( 19.374 0.635 -4.963) 20.010 9.581 ( -1.843 2.848 -10.952) 11.465 12.908 ( -0.494 0.722 6.621) 6.679 13.930 ( -1.739 -6.548 -9.982) 12.065 15.067 ( -0.845 -3.798 8.992) 9.798 15.501 ( -0.631 0.937 2.110) 2.393 16.949 ( 21.941 1.683 5.969) 22.801 17.565 ( -18.785 -3.028 4.213) 19.489 17.769 ( 7.768 -3.665 7.601) 11.469 17.888 ( -9.840 -2.700 -3.264) 10.713 18.393 ( 12.196 -0.860 -10.861) 16.353 18.898 ( -7.981 2.994 3.503) 9.216 19.480 ( 11.877 -6.282 -2.649) 13.694 20.367 ( -15.237 3.549 -5.963) 16.743 20.605 ( -8.511 4.185 13.122) 16.191 22.237 ( 1.045 -0.924 -10.133) 10.229 23.267 ( -9.380 -2.885 7.182) 12.161 24.352 ( 5.318 -3.552 -7.155) 9.596 47.308 ( 11.757 1.642 3.118) 12.274 47.478 ( -11.554 -1.276 0.280) 11.628 48.195 ( 1.918 1.286 0.651) 2.399 48.329 ( -0.466 -3.033 -0.998) 3.227 97.951 ( -0.230 0.117 0.792) 0.833 97.964 ( -0.059 0.236 0.479) 0.537 98.566 ( -2.297 -1.304 1.745) 3.165 98.707 ( -0.851 1.595 -2.499) 3.084 99.138 ( 5.283 -0.594 1.852) 5.630 99.179 ( 3.417 -1.352 6.312) 7.304 99.626 ( -1.292 7.033 0.097) 7.151 100.835 ( -2.671 2.785 -12.631) 13.207 ======================= Grid point 94 (34/100) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 14.873 0.346 9.418) 17.608 2.544 ( 17.037 -8.895 0.241) 19.221 2.804 ( 1.888 3.223 4.948) 6.200 2.925 ( 1.196 4.994 -3.404) 6.161 2.991 ( -5.082 13.552 -4.708) 15.220 3.334 ( -1.001 1.661 -3.622) 4.108 3.427 ( -5.807 -6.279 -4.287) 9.567 3.741 ( 4.580 -5.888 -1.108) 7.541 3.837 ( -9.152 0.086 -4.962) 10.411 3.956 ( 7.161 -0.987 2.218) 7.561 4.030 ( 5.588 0.740 1.506) 5.834 4.134 ( -4.328 -1.785 8.166) 9.413 4.211 ( -1.007 0.074 5.505) 5.596 4.516 ( 3.484 0.237 -2.434) 4.256 4.742 ( -0.226 1.853 1.492) 2.390 5.012 ( 0.551 0.782 5.413) 5.497 5.099 ( 0.323 -3.606 10.839) 11.428 5.199 ( 0.006 -1.867 2.169) 2.862 5.308 ( 0.667 -3.531 -4.222) 5.544 5.750 ( -7.428 1.281 -2.355) 7.897 6.038 ( 3.355 0.577 -7.239) 8.000 6.626 ( -2.847 0.942 -5.363) 6.145 6.779 ( 0.341 9.518 2.305) 9.799 6.944 ( 3.118 6.415 6.314) 9.526 7.264 ( 1.123 5.639 -1.442) 5.927 7.418 ( -0.561 -2.023 3.315) 3.924 7.801 ( 5.074 8.224 -9.890) 13.827 8.274 ( 4.515 5.594 11.040) 13.174 8.639 ( -1.360 -7.960 4.634) 9.310 9.051 ( -7.174 -6.555 -6.390) 11.630 9.475 ( -2.774 5.540 -10.327) 12.043 9.773 ( 18.533 4.653 -6.325) 20.128 12.898 ( -0.000 0.309 5.786) 5.794 13.999 ( 0.181 -4.621 -11.567) 12.457 15.120 ( 0.573 -3.432 9.686) 10.292 15.488 ( 1.073 1.136 1.811) 2.391 16.978 ( -13.588 3.220 5.573) 15.036 17.552 ( 10.750 -3.323 6.210) 12.851 17.781 ( -13.730 -6.843 -3.136) 15.658 17.930 ( 6.050 -2.372 5.893) 8.773 18.535 ( 7.854 2.934 -8.251) 11.763 18.771 ( -2.856 1.077 4.424) 5.374 19.747 ( 9.030 -2.347 -5.236) 10.699 20.120 ( -6.117 0.773 -5.557) 8.300 20.486 ( -3.998 0.693 11.645) 12.332 22.251 ( -0.550 -0.603 -13.115) 13.140 23.186 ( -7.936 -4.058 10.105) 13.475 24.467 ( 6.070 -1.118 -7.741) 9.900 47.242 ( -13.366 -0.441 1.972) 13.518 47.530 ( 11.328 0.373 -1.275) 11.405 48.131 ( -6.376 -0.869 2.387) 6.863 48.445 ( 10.149 0.637 -1.427) 10.269 97.947 ( -0.194 -0.004 0.588) 0.619 97.957 ( -0.301 0.135 0.465) 0.570 98.566 ( -1.481 -2.379 0.496) 2.846 98.675 ( -0.106 1.743 -2.305) 2.892 99.206 ( 2.083 0.016 4.584) 5.036 99.247 ( 5.840 0.702 2.701) 6.472 99.505 ( -2.477 5.499 0.966) 6.108 100.755 ( -5.284 0.109 -9.838) 11.168 ======================= Grid point 95 (35/100) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 6.287 11.765 8.299) 15.711 2.566 ( -8.750 17.788 3.168) 20.074 2.741 ( 2.200 1.265 -1.141) 2.783 2.852 ( 0.209 1.742 -2.559) 3.102 2.977 ( 7.758 -0.787 1.158) 7.883 3.387 ( 6.505 -3.073 -5.900) 9.304 3.476 ( -2.657 -9.191 -5.369) 10.971 3.634 ( -8.964 2.917 -4.235) 10.334 3.926 ( 2.654 -1.788 2.895) 4.315 3.946 ( -2.338 5.871 6.653) 9.176 4.029 ( -0.127 4.904 1.663) 5.180 4.106 ( 0.447 -4.019 3.021) 5.048 4.225 ( -0.351 -2.471 4.780) 5.393 4.555 ( 2.328 0.446 -2.631) 3.541 4.762 ( 3.686 0.927 -1.531) 4.097 4.974 ( -2.820 1.740 5.987) 6.843 5.120 ( -0.784 -0.417 5.339) 5.412 5.266 ( 2.936 -2.257 5.232) 6.410 5.326 ( -4.198 0.035 -3.899) 5.729 5.723 ( 2.804 -6.738 -1.001) 7.367 6.091 ( 1.251 -0.393 -6.036) 6.176 6.475 ( -3.095 9.523 -11.753) 15.440 6.741 ( 0.299 -1.560 6.949) 7.128 6.921 ( 4.432 4.996 7.077) 9.730 7.192 ( -0.206 4.002 -2.654) 4.807 7.440 ( -3.821 -4.321 5.612) 8.048 7.740 ( 3.796 8.234 -7.948) 12.057 8.253 ( 3.878 5.720 8.475) 10.936 8.629 ( -8.061 -0.767 2.100) 8.366 9.045 ( -10.134 -8.731 -2.456) 13.601 9.361 ( 0.087 6.249 -10.505) 12.224 9.914 ( 14.701 9.886 -6.784) 18.970 12.897 ( 0.184 0.079 5.761) 5.764 14.075 ( 2.643 -2.917 -13.514) 14.075 15.178 ( 1.950 -1.857 11.084) 11.406 15.504 ( 3.026 0.766 2.311) 3.884 16.653 ( -22.116 2.162 5.838) 22.975 17.622 ( -14.942 -6.654 -6.367) 17.552 17.804 ( 5.495 -1.246 10.058) 11.528 18.009 ( 9.185 3.163 2.424) 10.012 18.539 ( 1.672 4.935 -6.548) 8.368 18.810 ( 4.595 -3.453 6.529) 8.698 19.663 ( -6.199 7.065 -4.857) 10.579 20.325 ( 16.239 -8.177 -6.589) 19.338 20.452 ( -2.232 -2.817 10.394) 10.998 22.243 ( -1.623 -0.691 -14.628) 14.734 23.166 ( -5.739 -7.274 11.663) 14.896 24.574 ( 8.664 1.150 -8.638) 12.289 47.053 ( -13.158 -1.026 3.421) 13.634 47.667 ( 6.800 -0.047 -6.239) 9.229 48.075 ( -2.171 -0.722 6.253) 6.659 48.573 ( 10.136 2.590 -1.901) 10.633 97.944 ( -0.291 -0.067 0.447) 0.538 97.953 ( -0.233 -0.145 0.378) 0.467 98.592 ( -0.635 -3.325 0.143) 3.388 98.656 ( 0.790 1.429 -1.051) 1.942 99.195 ( -0.090 3.081 4.985) 5.861 99.311 ( 5.135 3.911 1.546) 6.637 99.409 ( -2.614 0.558 1.133) 2.903 100.673 ( -7.825 -1.994 -8.944) 12.049 ======================= Grid point 96 (36/100) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 1.628 21.241 8.729) 23.022 2.098 ( -10.051 24.830 1.532) 26.831 2.734 ( -1.642 3.664 0.186) 4.019 2.873 ( -0.060 -3.593 -3.376) 4.930 3.036 ( -0.376 -1.330 1.714) 2.201 3.360 ( -5.431 11.045 1.701) 12.425 3.519 ( -5.408 0.453 -6.175) 8.221 3.640 ( 1.777 2.540 0.919) 3.233 3.753 ( 5.768 -5.823 0.950) 8.251 3.938 ( -1.005 1.614 -0.232) 1.915 4.075 ( 0.019 -6.140 7.440) 9.647 4.188 ( 5.557 -0.967 -0.362) 5.652 4.301 ( 1.228 -5.821 4.108) 7.230 4.564 ( 0.373 2.223 -0.398) 2.289 4.791 ( 2.774 0.709 -5.487) 6.189 4.890 ( -4.081 2.166 6.405) 7.897 5.119 ( -0.226 0.373 -0.637) 0.771 5.181 ( -5.752 5.325 -3.541) 8.602 5.331 ( 2.554 0.209 3.177) 4.082 5.941 ( 0.519 -3.038 -2.535) 3.991 6.033 ( 3.206 1.422 -2.401) 4.250 6.370 ( -5.361 -4.125 -10.875) 12.807 6.777 ( 0.598 -1.142 4.475) 4.657 6.926 ( 5.264 3.521 8.330) 10.464 7.161 ( 0.139 -0.390 -2.576) 2.609 7.405 ( -5.470 0.147 8.540) 10.143 7.704 ( 1.810 1.602 -5.577) 6.079 8.221 ( 3.728 6.177 5.317) 8.962 8.462 ( -9.976 4.097 2.628) 11.100 8.982 ( -12.201 -5.127 -1.605) 13.331 9.304 ( 2.632 4.891 -10.475) 11.857 9.913 ( 8.686 13.228 -6.801) 17.224 12.901 ( 0.269 -0.310 6.359) 6.373 14.161 ( 4.770 -1.153 -16.488) 17.203 15.235 ( 4.087 -0.113 13.078) 13.702 15.555 ( 4.856 0.272 3.635) 6.072 16.298 ( -21.058 2.380 5.835) 21.981 17.467 ( -17.475 -5.510 -8.896) 20.369 17.755 ( -3.656 5.642 7.748) 10.258 18.176 ( 14.108 1.205 3.888) 14.683 18.445 ( -1.661 7.379 -5.578) 9.398 18.972 ( 5.964 -6.581 8.587) 12.354 19.494 ( -2.459 6.732 -3.853) 8.138 20.464 ( -0.889 -4.666 9.736) 10.833 20.720 ( 15.139 -9.717 -7.115) 19.345 22.227 ( -1.569 -0.274 -13.726) 13.818 23.238 ( -2.936 -11.372 10.429) 15.707 24.685 ( 11.483 4.238 -10.764) 16.300 46.898 ( -9.945 -1.502 5.454) 11.442 47.731 ( 1.043 -1.473 -9.532) 9.702 48.089 ( 3.177 0.495 8.742) 9.314 48.660 ( 7.782 3.720 -2.197) 8.901 97.942 ( -0.314 -0.206 0.368) 0.526 97.953 ( -0.219 -0.224 0.249) 0.400 98.642 ( 0.079 -3.775 0.392) 3.796 98.659 ( 1.823 0.575 1.654) 2.528 99.126 ( -0.939 4.687 3.975) 6.217 99.249 ( -2.054 4.848 4.098) 6.672 99.432 ( 1.976 -1.139 -1.324) 2.637 100.580 ( -10.162 -3.204 -9.239) 14.103 ======================= Grid point 97 (37/100) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.806 24.946 12.514) 27.920 1.568 ( -7.585 28.516 4.318) 29.822 2.458 ( -8.924 26.618 15.288) 31.967 2.873 ( -3.408 -0.572 0.723) 3.530 3.057 ( -0.712 -2.336 -0.656) 2.529 3.166 ( -0.277 2.300 -4.922) 5.440 3.379 ( -7.171 -1.345 -9.868) 12.272 3.737 ( 7.450 -1.672 0.680) 7.665 3.922 ( -1.721 -5.584 -3.640) 6.885 3.990 ( 5.490 -5.344 -3.773) 8.540 4.165 ( 0.207 -6.065 8.259) 10.249 4.278 ( 6.277 1.120 -0.550) 6.400 4.385 ( -0.815 -2.217 3.687) 4.379 4.531 ( 0.888 -0.992 3.765) 3.994 4.790 ( -1.879 3.098 3.722) 5.194 4.830 ( 1.208 4.549 -3.678) 5.973 4.978 ( -6.254 2.097 -7.034) 9.643 5.164 ( 2.075 0.156 -1.521) 2.578 5.336 ( 1.293 3.184 -1.221) 3.647 5.718 ( -5.517 12.391 -4.889) 14.418 6.245 ( 0.751 -10.836 -3.622) 11.449 6.386 ( -6.384 -10.555 -1.305) 12.405 6.767 ( 0.212 3.055 2.470) 3.935 6.976 ( 4.265 0.123 8.825) 9.802 7.218 ( 2.597 -4.437 -1.690) 5.412 7.294 ( -4.337 3.925 9.611) 11.251 7.731 ( -1.273 -3.538 -3.300) 5.003 8.180 ( 2.597 6.308 5.993) 9.080 8.257 ( -5.040 6.856 2.537) 8.879 8.852 ( -9.573 0.188 -1.414) 9.678 9.267 ( 1.423 5.021 -12.632) 13.667 9.806 ( 3.176 12.047 -6.594) 14.096 12.917 ( 0.334 -1.334 7.673) 7.796 14.239 ( 5.139 1.043 -21.188) 21.827 15.306 ( 6.233 1.130 14.091) 15.449 15.638 ( 6.293 -0.514 6.237) 8.875 15.980 ( -16.423 2.415 5.996) 17.649 17.283 ( -14.804 -2.455 -10.548) 18.342 17.608 ( -2.691 6.934 5.995) 9.554 18.280 ( -0.279 6.698 -4.092) 7.854 18.351 ( 6.215 1.466 4.741) 7.953 19.140 ( 3.691 -5.493 6.891) 9.554 19.392 ( -0.188 4.489 -0.416) 4.512 20.555 ( 0.221 -8.669 13.289) 15.868 21.036 ( 8.635 -8.645 -9.282) 15.344 22.203 ( -0.844 1.155 -10.520) 10.617 23.413 ( 0.034 -14.731 6.031) 15.918 24.769 ( 12.050 8.984 -16.455) 22.286 46.818 ( -4.903 -2.920 8.680) 10.388 47.765 ( 0.346 -2.173 -10.153) 10.389 48.130 ( 3.293 1.047 8.303) 8.993 48.691 ( 4.218 4.121 -2.403) 6.368 97.940 ( -0.306 -0.196 0.261) 0.447 97.953 ( -0.171 -0.217 0.142) 0.311 98.691 ( 1.479 -2.104 3.332) 4.209 98.710 ( 2.121 -3.084 3.908) 5.411 99.046 ( -0.587 4.223 4.361) 6.099 99.142 ( -3.459 3.721 3.766) 6.324 99.451 ( -0.970 0.378 -1.856) 2.128 100.470 ( -9.994 -2.246 -10.240) 14.483 ======================= Grid point 98 (38/100) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 27.909 11.302) 30.111 1.115 ( 0.000 23.881 19.381) 30.756 1.860 ( 0.000 37.504 30.755) 48.502 2.842 ( 0.000 0.385 2.063) 2.099 3.073 ( -0.000 -1.423 1.552) 2.105 3.199 ( -0.000 -2.299 -15.563) 15.732 3.366 ( -0.000 -4.617 -11.553) 12.441 3.859 ( -0.000 -4.430 0.345) 4.443 3.984 ( -0.000 -4.824 -3.976) 6.252 4.084 ( -0.000 -1.922 -7.217) 7.469 4.247 ( -0.000 -3.895 8.725) 9.555 4.314 ( 0.000 0.883 3.318) 3.434 4.371 ( 0.000 0.999 -8.209) 8.269 4.593 ( 0.000 17.593 -3.926) 18.025 4.619 ( -0.000 -3.483 3.872) 5.208 4.762 ( 0.000 0.944 8.020) 8.076 4.991 ( -0.000 -4.466 -9.560) 10.552 5.176 ( 0.000 0.609 -2.951) 3.014 5.278 ( 0.000 4.632 -4.714) 6.609 5.536 ( 0.000 5.951 -3.239) 6.775 6.355 ( -0.000 -13.133 6.284) 14.559 6.543 ( -0.000 -15.244 4.600) 15.922 6.712 ( 0.000 3.988 3.227) 5.130 7.019 ( -0.000 -1.094 5.876) 5.977 7.190 ( 0.000 4.675 10.868) 11.831 7.328 ( -0.000 -5.547 -1.014) 5.639 7.747 ( 0.000 0.123 -2.467) 2.470 8.091 ( 0.000 5.049 14.454) 15.311 8.150 ( 0.000 5.637 -5.124) 7.618 8.739 ( 0.000 3.746 -0.388) 3.766 9.175 ( 0.000 9.769 -18.695) 21.094 9.682 ( 0.000 7.121 -6.449) 9.607 12.957 ( -0.000 -4.059 9.994) 10.787 14.242 ( 0.000 6.171 -26.580) 27.287 15.332 ( 0.000 4.612 10.233) 11.224 15.746 ( -0.000 -5.271 10.522) 11.769 15.807 ( 0.000 0.680 6.689) 6.723 17.155 ( 0.000 1.034 -10.725) 10.775 17.491 ( 0.000 5.799 5.133) 7.744 18.163 ( 0.000 6.414 -4.699) 7.952 18.403 ( -0.000 -0.183 6.647) 6.650 19.213 ( -0.000 -0.503 -0.232) 0.554 19.363 ( -0.000 -0.495 7.793) 7.808 20.738 ( -0.000 -16.362 21.106) 26.705 21.212 ( -0.000 -6.564 -10.685) 12.540 22.171 ( 0.000 2.160 -6.770) 7.106 23.638 ( -0.000 -13.864 0.057) 13.864 24.691 ( 0.000 19.779 -28.659) 34.822 46.856 ( -0.000 -7.551 13.615) 15.568 47.800 ( -0.000 -1.319 -10.684) 10.765 48.141 ( 0.000 1.377 6.641) 6.782 48.664 ( 0.000 3.656 -2.512) 4.436 97.940 ( -0.000 -0.113 0.218) 0.246 97.955 ( -0.000 -0.146 0.050) 0.154 98.745 ( -0.000 -3.080 1.565) 3.455 98.815 ( -0.000 -7.256 9.925) 12.294 99.008 ( -0.000 -0.200 11.188) 11.190 99.054 ( 0.000 2.960 1.718) 3.422 99.394 ( 0.000 2.904 -2.156) 3.617 100.377 ( 0.000 2.924 -12.164) 12.510 ======================= Grid point 101 (39/100) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 27.176 -0.000 8.717) 28.539 1.785 ( 30.099 -0.000 -6.878) 30.875 2.641 ( 2.815 -0.000 15.103) 15.364 3.110 ( -0.547 0.000 -10.961) 10.975 3.237 ( 13.935 -0.000 2.738) 14.202 3.303 ( -1.376 0.000 -1.694) 2.182 3.450 ( 6.280 -0.000 -7.152) 9.518 3.575 ( 18.721 -0.000 4.560) 19.269 3.737 ( -6.082 0.000 3.204) 6.875 3.885 ( -8.625 0.000 -4.673) 9.810 3.916 ( -5.490 0.000 -0.712) 5.536 4.256 ( -11.762 0.000 5.927) 13.171 4.263 ( -1.595 0.000 3.009) 3.406 4.553 ( -0.041 0.000 -1.557) 1.557 4.818 ( -1.728 0.000 3.118) 3.565 4.899 ( 0.169 -0.000 4.806) 4.809 5.106 ( 1.231 -0.000 8.538) 8.626 5.135 ( 7.769 -0.000 -5.334) 9.424 5.172 ( -3.586 0.000 -0.487) 3.619 5.862 ( 11.172 -0.000 -7.934) 13.703 6.201 ( -15.317 0.000 -1.152) 15.361 6.579 ( -1.209 0.000 1.052) 1.603 6.980 ( -1.861 0.000 2.735) 3.308 7.156 ( 2.521 -0.000 0.925) 2.685 7.341 ( -4.211 0.000 3.912) 5.748 7.561 ( 10.676 -0.000 -2.698) 11.011 8.074 ( 2.655 -0.000 -6.919) 7.411 8.125 ( 1.817 -0.000 4.538) 4.888 8.445 ( 4.014 -0.000 9.351) 10.176 9.031 ( -0.431 0.000 -10.635) 10.644 9.504 ( 22.244 -0.000 -7.061) 23.338 9.642 ( -0.073 0.000 -12.123) 12.124 12.925 ( -1.282 0.000 7.636) 7.743 13.792 ( 0.955 -0.000 -6.510) 6.579 15.000 ( -0.443 0.000 8.043) 8.055 15.516 ( -0.547 0.000 1.793) 1.875 16.986 ( 28.175 -0.000 5.943) 28.795 17.494 ( -21.415 0.000 2.485) 21.558 17.722 ( 5.352 -0.000 9.584) 10.977 17.832 ( -17.143 0.000 -2.604) 17.340 18.389 ( 16.211 -0.000 -12.848) 20.685 18.939 ( -7.475 0.000 1.186) 7.569 19.374 ( 12.220 -0.000 0.395) 12.227 20.419 ( -14.980 0.000 -4.985) 15.787 20.679 ( -12.915 0.000 13.322) 18.555 22.220 ( 1.649 -0.000 -9.327) 9.472 23.194 ( -8.042 0.000 7.851) 11.239 24.296 ( 8.631 -0.000 -7.005) 11.116 47.340 ( 13.889 -0.000 3.748) 14.386 47.452 ( -14.309 0.000 0.644) 14.323 48.239 ( -9.676 0.000 -0.231) 9.679 48.251 ( 12.958 -0.000 -0.097) 12.959 97.953 ( -0.400 0.000 0.935) 1.017 97.968 ( -0.041 0.000 0.493) 0.495 98.546 ( -2.849 0.000 2.731) 3.947 98.731 ( -1.187 0.000 -3.071) 3.292 99.143 ( 4.026 -0.000 6.366) 7.533 99.147 ( 7.256 -0.000 2.351) 7.627 99.753 ( -3.126 0.000 -0.432) 3.156 100.891 ( -6.448 0.000 -15.720) 16.991 ======================= Grid point 102 (40/100) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 23.588 5.900 5.146) 24.853 2.287 ( 26.153 -8.496 -3.692) 27.746 2.698 ( 0.476 -6.795 8.011) 10.515 3.065 ( -1.014 3.579 -11.733) 12.309 3.312 ( -2.670 -2.437 -4.894) 6.085 3.339 ( 3.069 8.481 0.274) 9.023 3.465 ( 1.978 -0.386 1.640) 2.598 3.636 ( -2.808 6.764 2.874) 7.868 3.778 ( -6.163 -3.428 -5.690) 9.061 3.890 ( 3.463 -2.998 0.563) 4.614 3.986 ( 18.931 -3.617 3.671) 19.620 4.087 ( -8.369 -0.716 5.769) 10.190 4.228 ( -1.149 1.004 3.150) 3.500 4.541 ( 0.635 0.674 -1.507) 1.769 4.788 ( -3.058 -0.537 -0.283) 3.117 4.936 ( 3.025 -2.224 10.350) 11.010 5.103 ( -0.128 1.807 9.434) 9.606 5.141 ( -1.972 -1.707 2.463) 3.587 5.238 ( 3.966 -1.398 -4.750) 6.344 5.875 ( -6.111 7.961 -3.414) 10.601 6.065 ( 0.334 -2.278 -7.727) 8.062 6.569 ( -1.887 -1.548 0.629) 2.521 6.941 ( -2.208 1.224 2.691) 3.689 7.163 ( 1.106 5.096 -0.361) 5.227 7.281 ( -1.916 -0.553 6.008) 6.330 7.633 ( 6.719 8.401 -1.355) 10.842 8.038 ( 4.306 6.905 -9.191) 12.276 8.260 ( 1.150 -10.501 8.082) 13.301 8.473 ( 3.236 2.458 9.038) 9.909 8.991 ( -3.770 1.349 -9.183) 10.018 9.612 ( -1.090 2.884 -12.194) 12.577 9.846 ( 23.279 0.559 -7.958) 24.608 12.909 ( -0.384 0.352 6.319) 6.341 13.844 ( 1.046 -4.190 -7.976) 9.070 15.022 ( 0.830 -2.245 8.457) 8.789 15.516 ( 1.152 0.546 1.250) 1.786 17.098 ( -20.238 4.041 4.711) 21.168 17.424 ( 18.744 -4.314 5.128) 19.906 17.582 ( -19.148 -4.828 -1.691) 19.820 17.851 ( 8.648 -1.782 8.064) 11.957 18.604 ( 13.328 1.416 -8.984) 16.136 18.812 ( -7.563 1.007 3.240) 8.289 19.638 ( 18.848 -2.927 -4.159) 19.522 20.177 ( -14.871 1.524 -6.474) 16.290 20.518 ( -7.897 0.924 12.739) 15.016 22.233 ( -0.644 -0.436 -13.240) 13.263 23.081 ( -9.597 -2.308 11.450) 15.117 24.424 ( 7.483 -1.117 -7.859) 10.909 47.235 ( -14.696 -0.075 1.773) 14.802 47.536 ( 11.846 0.086 -1.400) 11.928 48.112 ( -7.137 -0.337 2.943) 7.727 48.451 ( 13.203 -0.058 -1.205) 13.258 97.947 ( -0.327 0.008 0.740) 0.809 97.962 ( -0.502 0.131 0.456) 0.690 98.514 ( -2.378 -0.959 1.715) 3.085 98.712 ( -0.723 0.661 -3.388) 3.526 99.205 ( 4.146 0.015 6.838) 7.996 99.264 ( 8.515 0.337 1.871) 8.725 99.668 ( -3.908 3.880 -0.650) 5.545 100.768 ( -8.883 0.466 -11.701) 14.698 ======================= Grid point 103 (41/100) ======================= q-point: ( 0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 15.194 4.916 5.172) 16.787 2.714 ( 14.751 -0.448 -1.429) 14.827 2.826 ( 4.816 -7.298 0.933) 8.794 3.040 ( 4.634 4.246 -2.890) 6.918 3.142 ( -2.609 11.788 -3.148) 12.477 3.262 ( -5.427 0.894 -6.583) 8.579 3.407 ( -0.676 6.645 1.874) 6.937 3.657 ( -0.475 -10.838 2.173) 11.064 3.703 ( -8.009 0.542 -1.545) 8.175 3.916 ( -4.663 -4.967 1.458) 6.967 4.048 ( 3.066 -0.722 -0.340) 3.168 4.167 ( -1.854 -1.745 2.968) 3.910 4.296 ( 11.989 7.661 3.169) 14.576 4.590 ( 4.742 0.670 1.653) 5.067 4.765 ( 1.692 -0.753 -3.260) 3.749 5.028 ( 2.037 -1.631 8.919) 9.293 5.067 ( -0.296 0.271 12.827) 12.834 5.165 ( 1.024 -3.080 3.765) 4.971 5.286 ( 0.867 -0.521 -3.709) 3.844 5.665 ( -7.671 2.378 -0.776) 8.068 6.119 ( 4.506 1.472 -11.649) 12.577 6.564 ( -2.752 -2.001 -2.031) 3.963 6.862 ( -3.959 3.800 1.439) 5.673 7.079 ( 1.761 6.113 7.441) 9.789 7.285 ( -0.806 -0.666 2.202) 2.438 7.540 ( 3.129 12.387 -0.877) 12.806 8.002 ( 4.573 7.902 -9.295) 13.029 8.384 ( 0.385 -3.068 10.516) 10.962 8.496 ( 0.152 -2.575 7.457) 7.890 8.896 ( -6.687 0.313 -9.164) 11.348 9.536 ( -0.665 5.058 -11.063) 12.182 10.137 ( 20.617 4.764 -8.526) 22.814 12.903 ( 0.079 0.279 5.650) 5.658 13.935 ( 1.546 -5.494 -10.170) 11.662 15.083 ( 1.533 -3.505 9.512) 10.253 15.536 ( 3.218 1.020 1.595) 3.734 16.722 ( -23.190 2.246 5.165) 23.865 17.369 ( -20.199 -9.024 -3.998) 22.482 17.764 ( 15.438 -1.162 8.541) 17.681 18.014 ( 9.674 -2.318 5.667) 11.449 18.653 ( -1.320 3.235 -1.945) 3.999 18.783 ( 5.080 0.603 0.353) 5.128 19.844 ( -0.586 4.854 -5.715) 7.521 20.103 ( 11.746 -6.103 -6.116) 14.582 20.416 ( -5.331 -0.277 9.899) 11.247 22.210 ( -3.986 -1.212 -17.402) 17.894 22.993 ( -8.358 -4.139 15.686) 18.249 24.550 ( 6.987 -1.782 -8.553) 11.187 47.031 ( -13.305 -0.466 2.677) 13.579 47.660 ( 4.132 -0.301 -8.191) 9.179 48.061 ( 0.143 -0.238 8.462) 8.466 48.628 ( 11.634 1.136 -1.814) 11.829 97.943 ( -0.267 -0.021 0.474) 0.544 97.952 ( -0.597 0.044 0.368) 0.702 98.507 ( -1.711 -2.219 1.135) 3.023 98.693 ( -0.072 0.971 -2.810) 2.974 99.253 ( 2.996 0.986 7.169) 7.832 99.381 ( 9.311 1.753 0.336) 9.481 99.537 ( -4.195 5.490 -0.356) 6.919 100.630 ( -10.145 -0.995 -9.081) 13.652 ======================= Grid point 104 (42/100) ======================= q-point: (-0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 7.711 9.545 4.288) 12.998 2.722 ( -0.122 10.357 1.415) 10.454 2.838 ( -1.617 11.804 -4.542) 12.751 2.915 ( 0.585 5.388 -1.490) 5.621 3.072 ( -1.689 5.173 2.687) 6.069 3.315 ( 3.341 -9.368 -7.260) 12.313 3.443 ( 7.726 -4.567 -1.737) 9.141 3.567 ( -3.848 1.695 -3.926) 5.753 3.821 ( -3.550 -10.874 4.806) 12.407 3.926 ( -0.772 -3.019 2.628) 4.076 4.084 ( -1.484 1.199 1.535) 2.449 4.189 ( 3.955 -1.217 2.229) 4.701 4.220 ( 1.070 12.378 8.529) 15.070 4.585 ( 1.093 1.923 -1.555) 2.703 4.845 ( 3.890 0.457 -6.096) 7.246 4.974 ( -2.300 3.588 7.680) 8.784 5.100 ( -0.952 -0.366 6.596) 6.674 5.233 ( -0.470 -2.512 0.373) 2.582 5.286 ( -0.575 -0.675 2.828) 2.964 5.681 ( 5.864 -7.019 2.114) 9.387 6.152 ( 3.931 2.522 -11.868) 12.754 6.510 ( -5.542 3.168 -10.469) 12.262 6.756 ( -1.562 2.055 7.329) 7.770 7.054 ( 4.037 3.863 8.065) 9.812 7.251 ( -2.095 2.289 1.715) 3.546 7.404 ( 0.053 8.312 1.267) 8.408 7.925 ( 2.436 9.536 -5.958) 11.505 8.389 ( 0.879 2.449 8.696) 9.077 8.500 ( -3.505 -0.195 3.629) 5.049 8.808 ( -8.357 -3.682 -6.539) 11.232 9.460 ( 1.035 5.328 -9.736) 11.147 10.287 ( 14.382 10.532 -8.710) 19.840 12.902 ( 0.209 0.206 5.609) 5.617 14.047 ( 2.388 -5.709 -12.930) 14.335 15.164 ( 1.991 -3.820 11.540) 12.318 15.584 ( 5.816 1.308 2.485) 6.459 16.364 ( -20.919 2.028 5.312) 21.678 17.235 ( -17.284 -10.103 -5.560) 20.778 17.874 ( 2.132 2.779 9.908) 10.509 18.210 ( 12.752 -0.361 2.612) 13.022 18.599 ( -0.819 2.363 -4.128) 4.827 18.840 ( 3.561 -0.635 7.182) 8.042 19.701 ( -2.731 6.840 -5.597) 9.250 20.367 ( -3.606 -2.089 8.396) 9.373 20.461 ( 17.637 -7.418 -7.654) 20.607 22.168 ( -5.330 -3.244 -19.888) 20.844 22.966 ( -5.787 -6.499 18.349) 20.308 24.687 ( 7.222 -2.578 -9.561) 12.256 46.866 ( -10.075 -0.760 3.712) 10.764 47.681 ( -1.891 -1.642 -10.896) 11.180 48.108 ( 5.265 0.714 10.344) 11.628 48.752 ( 8.568 2.413 -2.159) 9.159 97.939 ( -0.364 -0.013 0.285) 0.462 97.947 ( -0.296 -0.195 0.222) 0.419 98.530 ( -0.890 -3.457 1.049) 3.721 98.683 ( 0.611 0.866 -1.235) 1.627 99.255 ( 1.433 3.291 6.690) 7.592 99.390 ( -4.482 5.041 0.344) 6.755 99.485 ( 9.431 3.570 -1.181) 10.152 100.500 ( -10.772 -2.322 -7.771) 13.483 ======================= Grid point 105 (43/100) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.647 18.626 5.480) 19.595 2.378 ( -3.235 25.459 1.112) 25.688 2.783 ( 0.875 3.848 -4.650) 6.099 2.844 ( -0.971 0.632 -3.930) 4.097 3.003 ( -2.127 -0.759 3.120) 3.851 3.344 ( -4.607 -0.214 -6.218) 7.742 3.593 ( 4.794 2.255 -0.916) 5.377 3.674 ( 5.048 -2.788 -3.023) 6.511 3.821 ( -1.095 2.250 4.735) 5.355 3.871 ( -3.200 6.556 5.678) 9.245 4.009 ( 0.110 -2.542 6.770) 7.233 4.166 ( -2.352 -7.024 3.886) 8.364 4.325 ( 8.393 -2.616 2.463) 9.130 4.568 ( -1.999 2.070 -0.016) 2.878 4.839 ( 0.582 2.131 -6.672) 7.028 4.884 ( -2.360 3.548 5.696) 7.113 5.106 ( 0.088 -1.575 0.078) 1.579 5.159 ( -4.392 2.954 -3.384) 6.283 5.344 ( 1.388 -2.750 6.846) 7.507 5.922 ( 7.633 -8.266 1.524) 11.354 6.133 ( 1.520 8.344 -8.978) 12.351 6.330 ( -5.820 5.396 -14.300) 16.355 6.766 ( 0.805 -2.077 7.769) 8.082 7.062 ( 4.161 3.810 4.443) 7.182 7.195 ( 0.962 2.680 2.918) 4.077 7.300 ( -4.917 0.851 6.801) 8.435 7.807 ( 0.491 8.644 -3.627) 9.387 8.341 ( -2.464 2.588 11.150) 11.708 8.430 ( 1.242 6.050 -5.013) 7.954 8.755 ( -7.655 -5.150 -2.537) 9.569 9.408 ( 1.467 4.724 -9.247) 10.487 10.246 ( 6.498 15.435 -8.252) 18.670 12.903 ( 0.151 0.045 6.024) 6.026 14.165 ( 2.381 -5.157 -16.465) 17.417 15.252 ( 2.196 -3.816 14.480) 15.134 15.669 ( 8.702 1.722 3.385) 9.494 16.052 ( -17.100 2.228 5.356) 18.058 17.155 ( -11.016 -7.327 -7.461) 15.189 17.805 ( -1.349 5.834 8.383) 10.302 18.358 ( 7.740 1.280 2.710) 8.300 18.521 ( -1.369 5.965 -5.746) 8.395 18.940 ( 2.854 -6.168 11.793) 13.611 19.576 ( -0.478 7.197 -5.180) 8.880 20.373 ( -1.728 -4.142 8.276) 9.414 20.785 ( 10.524 -7.571 -8.596) 15.555 22.163 ( -2.888 -4.282 -19.967) 20.625 23.021 ( -3.015 -10.170 18.073) 20.956 24.828 ( 6.050 -2.638 -11.439) 13.207 46.764 ( -5.406 -1.122 5.037) 7.474 47.684 ( -1.591 -2.817 -10.720) 11.198 48.164 ( 3.742 1.273 9.581) 10.364 48.805 ( 4.497 3.430 -2.348) 6.124 97.935 ( -0.216 -0.123 0.196) 0.317 97.947 ( -0.159 -0.232 0.081) 0.293 98.580 ( -0.202 -4.292 1.258) 4.477 98.686 ( 0.963 0.275 1.388) 1.712 99.199 ( 0.221 5.639 5.366) 7.787 99.260 ( -3.413 4.327 1.570) 5.730 99.545 ( 6.416 4.819 -2.243) 8.332 100.392 ( -8.443 -2.905 -7.484) 11.651 ======================= Grid point 106 (44/100) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 23.555 8.854) 25.164 1.946 ( 0.000 28.884 2.360) 28.980 2.702 ( 0.000 10.183 -2.436) 10.470 2.843 ( -0.000 -0.533 -1.380) 1.480 3.016 ( -0.000 -2.242 2.756) 3.552 3.305 ( 0.000 0.040 -7.792) 7.792 3.325 ( 0.000 20.920 6.366) 21.867 3.788 ( -0.000 -7.367 -2.187) 7.685 3.789 ( 0.000 0.132 1.418) 1.424 3.943 ( -0.000 -6.726 -2.874) 7.314 4.074 ( -0.000 -6.144 6.601) 9.018 4.268 ( -0.000 -7.626 4.677) 8.946 4.433 ( 0.000 6.636 3.564) 7.533 4.486 ( -0.000 -3.908 0.815) 3.992 4.807 ( 0.000 2.954 7.764) 8.307 4.864 ( -0.000 -2.697 -9.678) 10.047 5.015 ( 0.000 8.520 -5.400) 10.087 5.164 ( -0.000 -2.229 -0.433) 2.271 5.376 ( 0.000 0.149 3.328) 3.332 5.901 ( 0.000 17.702 -8.354) 19.574 6.124 ( -0.000 -9.639 -0.389) 9.647 6.267 ( -0.000 -0.878 -9.224) 9.266 6.792 ( -0.000 -0.023 4.276) 4.276 7.049 ( 0.000 3.451 7.335) 8.106 7.191 ( -0.000 -0.950 -2.641) 2.807 7.268 ( -0.000 -1.800 12.946) 13.071 7.714 ( 0.000 3.334 -3.462) 4.806 8.265 ( 0.000 4.370 13.289) 13.989 8.348 ( 0.000 7.359 -7.560) 10.550 8.754 ( -0.000 -3.240 -1.194) 3.453 9.351 ( 0.000 4.728 -10.289) 11.323 10.050 ( 0.000 16.464 -7.326) 18.020 12.906 ( -0.000 -0.433 6.742) 6.756 14.252 ( -0.000 -3.462 -20.155) 20.450 15.329 ( -0.000 -3.460 16.715) 17.069 15.759 ( 0.000 3.348 2.146) 3.977 15.834 ( 0.000 1.123 7.543) 7.626 17.142 ( -0.000 -2.992 -9.051) 9.533 17.694 ( 0.000 7.135 7.064) 10.041 18.378 ( 0.000 5.298 -2.100) 5.700 18.424 ( 0.000 3.645 1.011) 3.782 19.069 ( -0.000 -7.456 10.764) 13.094 19.472 ( 0.000 6.461 -3.502) 7.349 20.440 ( -0.000 -6.509 9.931) 11.874 20.979 ( -0.000 -8.231 -9.353) 12.459 22.193 ( -0.000 -1.803 -16.170) 16.270 23.183 ( -0.000 -14.519 13.209) 19.628 24.908 ( -0.000 -0.280 -14.531) 14.533 46.745 ( -0.000 -1.818 6.762) 7.002 47.720 ( -0.000 -3.357 -10.637) 11.154 48.173 ( 0.000 1.252 8.978) 9.065 48.783 ( 0.000 4.022 -2.448) 4.708 97.935 ( -0.000 -0.145 0.172) 0.224 97.949 ( -0.000 -0.226 0.030) 0.228 98.644 ( -0.000 -4.270 1.199) 4.435 98.701 ( -0.000 -1.077 4.801) 4.921 99.114 ( 0.000 5.469 5.280) 7.602 99.168 ( 0.000 4.413 1.611) 4.698 99.517 ( 0.000 5.275 -2.385) 5.789 100.363 ( -0.000 -2.315 -8.047) 8.373 ======================= Grid point 111 (45/100) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 6.914 -0.000 -2.612) 7.391 2.449 ( 23.255 -0.000 3.482) 23.514 2.770 ( 16.529 -0.000 3.749) 16.949 3.046 ( -4.333 0.000 -11.491) 12.281 3.302 ( 1.824 -0.000 -0.946) 2.055 3.364 ( -4.569 0.000 5.426) 7.094 3.533 ( 6.378 -0.000 1.956) 6.671 3.574 ( -10.839 0.000 -3.512) 11.394 3.741 ( -5.922 0.000 -2.816) 6.557 3.762 ( -4.795 0.000 0.332) 4.806 4.004 ( 0.106 -0.000 3.750) 3.752 4.164 ( -2.213 0.000 -0.657) 2.308 4.430 ( 27.255 -0.000 1.399) 27.291 4.551 ( 1.470 -0.000 -0.976) 1.765 4.744 ( -1.543 0.000 0.462) 1.610 4.965 ( 3.126 -0.000 11.886) 12.290 5.091 ( -0.119 0.000 3.759) 3.760 5.130 ( -0.186 0.000 13.053) 13.054 5.287 ( 3.311 -0.000 -5.042) 6.032 5.761 ( -13.779 0.000 0.403) 13.785 6.123 ( 6.247 -0.000 -14.004) 15.334 6.527 ( -2.361 0.000 -0.198) 2.369 6.893 ( -5.150 0.000 1.677) 5.416 7.215 ( -3.947 0.000 12.187) 12.810 7.253 ( 3.407 -0.000 -2.910) 4.480 7.790 ( 4.014 -0.000 -0.792) 4.091 8.157 ( 2.801 -0.000 -8.481) 8.931 8.166 ( 1.515 -0.000 11.153) 11.256 8.527 ( 1.912 -0.000 6.508) 6.783 8.947 ( -4.988 0.000 -10.384) 11.520 9.619 ( -0.956 0.000 -11.682) 11.721 10.202 ( 23.304 -0.000 -9.452) 25.148 12.908 ( -0.089 0.000 5.793) 5.793 13.836 ( 1.873 -0.000 -8.026) 8.242 15.024 ( 1.623 -0.000 8.680) 8.831 15.552 ( 3.232 -0.000 1.178) 3.440 16.760 ( -24.666 0.000 4.766) 25.122 17.212 ( -21.865 0.000 -2.417) 21.998 17.745 ( 20.911 -0.000 6.591) 21.925 17.962 ( 7.972 -0.000 8.330) 11.530 18.712 ( -6.085 0.000 2.572) 6.606 18.792 ( 9.620 -0.000 -5.325) 10.995 19.932 ( 22.826 -0.000 -6.136) 23.636 19.994 ( -10.543 0.000 -5.768) 12.018 20.415 ( -6.523 0.000 10.083) 12.009 22.190 ( -5.198 0.000 -17.883) 18.623 22.931 ( -8.083 0.000 16.626) 18.486 24.517 ( 6.099 -0.000 -8.511) 10.471 47.024 ( -13.385 0.000 2.462) 13.609 47.655 ( 3.061 -0.000 -8.804) 9.321 48.058 ( 1.143 -0.000 9.218) 9.289 48.644 ( 12.354 -0.000 -1.739) 12.476 97.943 ( -0.259 0.000 0.535) 0.594 97.953 ( -0.782 0.000 0.358) 0.860 98.473 ( -2.127 0.000 1.562) 2.639 98.708 ( -0.359 0.000 -3.401) 3.420 99.266 ( 4.017 -0.000 7.501) 8.509 99.410 ( 10.495 -0.000 0.500) 10.507 99.631 ( -4.821 0.000 -1.012) 4.926 100.615 ( -11.467 0.000 -9.641) 14.981 ======================= Grid point 112 (46/100) ======================= q-point: ( 0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 5.535 3.890 1.368) 6.903 2.789 ( 5.696 -5.429 -3.515) 8.619 2.932 ( 9.018 2.849 -1.013) 9.512 3.107 ( 6.860 -5.816 -4.486) 10.050 3.215 ( 0.041 8.385 3.158) 8.960 3.357 ( -0.561 8.464 -4.952) 9.822 3.472 ( -2.437 -8.719 4.346) 10.043 3.485 ( -2.698 7.096 2.412) 7.965 3.628 ( -4.263 2.147 0.169) 4.776 3.794 ( -0.683 -7.268 1.332) 7.421 4.037 ( -1.408 -1.340 -0.629) 2.043 4.103 ( -3.617 -1.367 0.833) 3.955 4.565 ( 6.330 4.259 -2.642) 8.074 4.702 ( 4.202 4.595 2.706) 6.789 4.779 ( 7.309 -2.468 -5.494) 9.471 5.025 ( 1.730 -2.335 12.064) 12.409 5.083 ( -0.943 3.131 12.643) 13.059 5.192 ( 8.837 -2.010 8.048) 12.120 5.316 ( 1.715 1.528 -4.826) 5.345 5.574 ( -7.406 -0.234 0.648) 7.438 6.197 ( 3.993 0.303 -14.841) 15.372 6.497 ( -3.180 -1.134 -2.843) 4.414 6.795 ( -7.793 -0.081 2.218) 8.103 7.149 ( -1.183 2.267 14.371) 14.596 7.291 ( 1.543 0.992 -2.480) 3.085 7.752 ( 1.808 9.274 -0.346) 9.455 8.143 ( 2.179 4.400 -5.522) 7.389 8.261 ( -0.356 -6.261 11.812) 13.373 8.543 ( 1.823 1.183 3.700) 4.291 8.840 ( -5.837 3.100 -11.901) 13.613 9.588 ( -0.249 2.679 -10.159) 10.509 10.492 ( 18.266 3.371 -10.252) 21.216 12.908 ( 0.126 0.127 5.404) 5.407 13.891 ( 1.756 -3.588 -9.392) 10.206 15.065 ( 1.690 -2.117 9.627) 10.001 15.614 ( 5.919 0.568 1.801) 6.213 16.410 ( -21.600 0.936 4.773) 22.141 16.960 ( -18.076 -6.306 -2.612) 19.322 17.958 ( 8.704 3.283 8.678) 12.722 18.115 ( 9.526 -4.745 6.283) 12.359 18.643 ( -1.790 1.119 0.633) 2.204 18.881 ( 3.837 1.460 -0.161) 4.109 19.862 ( -3.561 3.373 -5.987) 7.739 20.294 ( 20.458 -3.158 -7.200) 21.917 20.336 ( -3.866 -0.632 7.305) 8.289 22.085 ( -9.772 -1.700 -20.713) 22.966 22.850 ( -4.789 -1.751 19.977) 20.618 24.608 ( 4.596 -1.864 -9.003) 10.278 46.852 ( -10.077 -0.241 3.042) 10.529 47.646 ( -3.220 -0.654 -11.261) 11.730 48.124 ( 6.344 0.332 10.878) 12.597 48.799 ( 9.215 0.801 -2.092) 9.483 97.939 ( -0.292 0.040 0.278) 0.405 97.942 ( -0.569 -0.084 0.239) 0.623 98.456 ( -1.496 -1.376 1.456) 2.501 98.703 ( 0.054 0.375 -2.613) 2.640 99.314 ( 3.094 0.933 6.640) 7.384 99.529 ( -2.008 3.538 -0.467) 4.094 99.568 ( 8.713 1.227 -0.939) 8.849 100.447 ( -12.018 -1.067 -7.595) 14.256 ======================= Grid point 113 (47/100) ======================= q-point: (-0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 3.276 3.629 1.688) 5.172 2.809 ( 0.395 0.804 -4.143) 4.238 3.002 ( 0.534 2.673 0.606) 2.792 3.033 ( -0.623 14.854 -2.219) 15.031 3.106 ( -3.587 11.348 -0.774) 11.926 3.296 ( 1.686 -0.119 -4.987) 5.266 3.489 ( 4.894 -4.983 -0.128) 6.986 3.562 ( 0.240 -4.003 -0.373) 4.028 3.640 ( 4.177 -4.989 6.386) 9.117 3.890 ( 1.108 -4.483 1.592) 4.884 3.960 ( -8.286 -2.462 1.162) 8.722 4.161 ( 0.725 -6.577 1.819) 6.862 4.524 ( 4.080 16.395 2.340) 17.057 4.657 ( 2.159 3.312 1.042) 4.089 4.867 ( 1.360 -1.317 -5.443) 5.763 5.006 ( -1.262 4.021 9.871) 10.733 5.061 ( -2.243 -1.546 8.723) 9.138 5.245 ( 1.428 1.751 3.775) 4.399 5.284 ( -0.943 3.234 -2.248) 4.050 5.689 ( 9.030 -8.022 3.349) 12.534 6.241 ( 3.769 0.999 -15.112) 15.607 6.443 ( -6.051 0.411 -8.894) 10.765 6.704 ( -4.537 -1.862 6.999) 8.546 7.127 ( 1.008 0.482 14.479) 14.522 7.260 ( -0.638 4.006 -2.604) 4.820 7.604 ( 1.187 13.288 0.342) 13.345 8.075 ( 0.670 7.618 -4.248) 8.748 8.313 ( -2.287 -3.613 14.530) 15.146 8.557 ( 2.629 1.018 -0.332) 2.839 8.706 ( -5.181 3.542 -11.439) 13.047 9.540 ( 0.431 3.933 -8.874) 9.717 10.612 ( 9.443 8.589 -10.419) 16.477 12.908 ( 0.135 0.179 5.371) 5.376 13.986 ( 1.281 -5.961 -11.596) 13.101 15.131 ( 1.193 -3.697 11.344) 11.991 15.713 ( 9.270 1.100 2.798) 9.745 16.105 ( -17.497 1.341 4.613) 18.144 16.872 ( -10.440 -10.138 -3.790) 15.038 17.955 ( 1.160 4.963 9.262) 10.572 18.319 ( 6.451 -5.109 4.127) 9.206 18.617 ( 0.285 1.797 -2.114) 2.789 18.884 ( 1.039 1.708 6.435) 6.738 19.773 ( -0.313 5.447 -6.510) 8.494 20.295 ( -2.410 -1.435 6.599) 7.170 20.617 ( 13.781 -3.799 -8.533) 16.649 21.996 ( -7.894 -5.488 -21.782) 23.810 22.836 ( -2.249 -3.175 21.323) 21.675 24.710 ( 3.133 -4.141 -9.661) 10.968 46.742 ( -5.417 -0.485 3.660) 6.555 47.616 ( -2.482 -1.659 -10.859) 11.262 48.198 ( 4.201 0.906 9.983) 10.868 48.884 ( 4.837 1.847 -2.291) 5.662 97.933 ( -0.322 -0.025 0.145) 0.354 97.941 ( -0.129 -0.165 0.086) 0.227 98.471 ( -0.671 -2.820 1.492) 3.261 98.699 ( 0.300 0.438 -1.238) 1.347 99.324 ( 1.721 2.612 4.727) 5.668 99.411 ( -3.090 5.307 1.226) 6.262 99.682 ( 9.007 3.687 -2.418) 10.028 100.308 ( -9.681 -2.553 -6.247) 11.801 ======================= Grid point 114 (48/100) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 0.000 10.985 3.060) 11.403 2.721 ( 0.000 23.141 -0.346) 23.144 2.823 ( -0.000 -0.552 -4.164) 4.200 2.910 ( 0.000 10.254 -3.800) 10.936 2.976 ( 0.000 0.660 1.702) 1.825 3.300 ( -0.000 -0.952 -4.963) 5.053 3.618 ( -0.000 -3.973 1.159) 4.138 3.643 ( -0.000 -5.664 -0.801) 5.720 3.762 ( -0.000 -4.073 0.499) 4.103 3.890 ( -0.000 -2.680 0.267) 2.693 4.016 ( -0.000 -8.730 5.599) 10.371 4.227 ( 0.000 22.334 9.407) 24.235 4.293 ( -0.000 -6.648 1.144) 6.746 4.625 ( 0.000 4.976 2.350) 5.503 4.869 ( 0.000 1.450 -10.331) 10.432 4.928 ( 0.000 4.873 8.926) 10.170 5.063 ( -0.000 -2.905 4.633) 5.468 5.194 ( 0.000 5.411 -5.321) 7.589 5.298 ( -0.000 -4.310 9.200) 10.160 5.879 ( -0.000 -6.938 3.180) 7.632 6.286 ( 0.000 0.442 -16.918) 16.923 6.310 ( 0.000 7.087 -10.256) 12.466 6.724 ( -0.000 -3.769 8.767) 9.542 7.161 ( -0.000 -2.848 14.658) 14.932 7.168 ( 0.000 6.033 -3.288) 6.871 7.411 ( 0.000 13.261 2.032) 13.416 7.949 ( 0.000 9.664 -3.212) 10.184 8.321 ( -0.000 -0.641 14.544) 14.558 8.564 ( 0.000 7.002 -10.653) 12.748 8.622 ( -0.000 -3.861 -1.474) 4.133 9.484 ( 0.000 4.293 -8.567) 9.582 10.516 ( 0.000 13.385 -9.705) 16.533 12.906 ( 0.000 0.193 5.642) 5.645 14.092 ( -0.000 -6.666 -14.286) 15.765 15.202 ( -0.000 -4.543 13.406) 14.155 15.845 ( 0.000 2.188 0.056) 2.189 15.869 ( 0.000 1.168 8.105) 8.189 16.944 ( -0.000 -9.908 -5.603) 11.382 17.881 ( 0.000 5.599 8.836) 10.461 18.420 ( -0.000 -1.331 2.525) 2.854 18.580 ( 0.000 3.428 -5.139) 6.177 18.893 ( -0.000 -2.287 11.955) 12.171 19.680 ( 0.000 6.939 -6.226) 9.323 20.308 ( -0.000 -2.765 6.790) 7.332 20.781 ( -0.000 -4.731 -8.715) 9.916 22.039 ( -0.000 -7.627 -22.708) 23.955 22.881 ( -0.000 -5.797 21.807) 22.564 24.807 ( -0.000 -5.113 -10.621) 11.787 46.710 ( -0.000 -0.761 4.351) 4.417 47.629 ( -0.000 -2.572 -10.639) 10.946 48.213 ( 0.000 1.295 9.513) 9.600 48.886 ( 0.000 2.783 -2.369) 3.655 97.932 ( -0.000 -0.100 0.121) 0.156 97.942 ( -0.000 -0.201 0.023) 0.202 98.516 ( -0.000 -3.917 1.533) 4.206 98.697 ( 0.000 0.306 0.316) 0.440 99.292 ( 0.000 3.692 1.636) 4.038 99.296 ( 0.000 6.391 4.457) 7.792 99.684 ( 0.000 5.623 -2.892) 6.323 100.275 ( -0.000 -3.429 -6.277) 7.152 ======================= Grid point 121 (49/100) ======================= q-point: ( 0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 0.824 -0.000 0.355) 0.897 2.805 ( -0.298 0.000 -5.196) 5.204 2.999 ( 1.691 -0.000 1.661) 2.371 3.236 ( 10.464 -0.000 -6.265) 12.196 3.267 ( -2.385 0.000 3.058) 3.878 3.413 ( 1.908 -0.000 -2.224) 2.930 3.416 ( 2.755 -0.000 0.935) 2.909 3.552 ( -4.301 0.000 -1.599) 4.589 3.567 ( -0.240 0.000 5.571) 5.576 3.729 ( 1.816 -0.000 4.622) 4.966 4.005 ( -1.599 0.000 0.054) 1.600 4.013 ( -5.987 0.000 -0.469) 6.005 4.654 ( 4.432 -0.000 -0.595) 4.472 4.735 ( -0.353 0.000 1.297) 1.345 4.871 ( 2.513 -0.000 -6.284) 6.768 5.045 ( 1.745 -0.000 12.345) 12.468 5.099 ( -1.469 0.000 13.977) 14.054 5.357 ( 1.481 -0.000 -6.422) 6.591 5.394 ( 15.975 -0.000 6.851) 17.382 5.445 ( -6.299 0.000 0.858) 6.357 6.246 ( 2.592 -0.000 -16.218) 16.424 6.435 ( -4.130 0.000 -4.925) 6.427 6.672 ( -7.072 0.000 4.922) 8.616 7.139 ( -1.171 0.000 17.047) 17.087 7.329 ( 1.432 -0.000 -3.828) 4.087 7.831 ( -0.031 0.000 -0.575) 0.576 8.212 ( 1.137 -0.000 15.481) 15.523 8.214 ( 0.871 -0.000 -6.286) 6.346 8.569 ( 0.825 -0.000 1.923) 2.093 8.791 ( -3.927 0.000 -14.004) 14.545 9.605 ( -0.043 0.000 -9.075) 9.076 10.738 ( 10.675 -0.000 -11.237) 15.499 12.910 ( 0.105 -0.000 5.186) 5.187 13.885 ( 1.084 -0.000 -9.447) 9.509 15.071 ( 1.103 -0.000 10.050) 10.111 15.730 ( 9.346 -0.000 2.459) 9.664 16.126 ( -17.742 0.000 4.332) 18.263 16.695 ( -10.535 0.000 -2.029) 10.728 18.116 ( 4.401 -0.000 8.280) 9.377 18.133 ( 3.086 -0.000 7.387) 8.006 18.652 ( 1.227 -0.000 -0.509) 1.328 18.923 ( 0.739 -0.000 2.734) 2.832 19.859 ( -0.404 0.000 -6.744) 6.756 20.276 ( -2.648 0.000 6.175) 6.719 20.561 ( 16.018 -0.000 -8.738) 18.246 21.908 ( -10.456 0.000 -20.494) 23.007 22.794 ( -1.644 0.000 20.454) 20.520 24.641 ( 2.182 -0.000 -9.181) 9.437 46.735 ( -5.409 0.000 3.277) 6.325 47.591 ( -2.719 0.000 -10.906) 11.240 48.212 ( 4.358 -0.000 10.109) 11.008 48.912 ( 4.998 -0.000 -2.266) 5.487 97.933 ( -0.438 0.000 0.126) 0.456 97.938 ( -0.075 0.000 0.100) 0.125 98.427 ( -0.843 0.000 1.583) 1.794 98.706 ( 0.105 -0.000 -2.039) 2.042 99.362 ( 2.208 -0.000 4.090) 4.648 99.503 ( -3.090 0.000 1.292) 3.349 99.736 ( 10.301 -0.000 -2.386) 10.574 100.265 ( -10.781 0.000 -5.815) 12.250 ======================= Grid point 122 (50/100) ======================= q-point: (-0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.000 0.135 0.514) 0.531 2.801 ( -0.000 -0.662 -3.501) 3.563 3.010 ( -0.000 -0.045 -0.376) 0.379 3.201 ( 0.000 7.146 -0.461) 7.161 3.305 ( 0.000 12.839 -0.863) 12.868 3.340 ( 0.000 3.893 -6.300) 7.406 3.410 ( -0.000 -3.229 0.426) 3.257 3.500 ( -0.000 -3.878 1.082) 4.026 3.726 ( -0.000 -10.336 4.896) 11.437 3.737 ( 0.000 0.803 6.021) 6.074 3.914 ( 0.000 2.969 -1.918) 3.535 4.060 ( -0.000 -6.478 1.883) 6.746 4.700 ( 0.000 0.704 1.531) 1.685 4.706 ( 0.000 3.179 -2.297) 3.922 4.887 ( 0.000 0.999 -4.663) 4.768 5.044 ( 0.000 2.316 10.574) 10.825 5.045 ( 0.000 2.834 15.010) 15.275 5.307 ( 0.000 6.618 4.080) 7.775 5.342 ( 0.000 3.454 -6.439) 7.307 5.642 ( -0.000 -9.821 3.225) 10.337 6.275 ( -0.000 -0.660 -17.792) 17.805 6.389 ( 0.000 0.385 -6.000) 6.012 6.630 ( -0.000 -1.875 7.261) 7.500 7.130 ( 0.000 0.027 16.895) 16.895 7.317 ( 0.000 2.933 -3.926) 4.901 7.772 ( 0.000 7.801 -0.361) 7.809 8.170 ( 0.000 4.614 -1.076) 4.738 8.257 ( -0.000 -2.579 11.943) 12.219 8.574 ( -0.000 -0.049 0.455) 0.458 8.733 ( 0.000 3.658 -14.021) 14.490 9.588 ( 0.000 2.245 -8.569) 8.858 10.784 ( 0.000 4.595 -11.331) 12.227 12.910 ( 0.000 0.087 5.175) 5.175 13.921 ( -0.000 -3.703 -10.260) 10.908 15.095 ( -0.000 -2.163 10.721) 10.937 15.887 ( 0.000 0.690 -1.308) 1.479 15.897 ( 0.000 0.597 8.407) 8.428 16.666 ( -0.000 -6.488 -2.469) 6.942 18.050 ( 0.000 6.343 8.722) 10.785 18.262 ( -0.000 -7.651 6.198) 9.846 18.652 ( 0.000 1.617 -1.305) 2.078 18.915 ( 0.000 1.449 5.091) 5.293 19.836 ( 0.000 3.022 -7.000) 7.625 20.261 ( -0.000 -0.661 5.743) 5.781 20.699 ( -0.000 -1.196 -9.008) 9.087 21.849 ( -0.000 -3.900 -20.577) 20.943 22.791 ( -0.000 -1.188 20.656) 20.690 24.678 ( -0.000 -2.727 -9.398) 9.786 46.696 ( -0.000 -0.236 3.483) 3.491 47.577 ( -0.000 -0.906 -10.692) 10.731 48.241 ( 0.000 0.522 9.733) 9.747 48.942 ( 0.000 0.977 -2.330) 2.527 97.930 ( -0.000 -0.033 0.088) 0.094 97.938 ( -0.000 -0.080 0.025) 0.084 98.433 ( -0.000 -1.545 1.612) 2.233 98.706 ( 0.000 0.201 -1.489) 1.502 99.370 ( 0.000 1.414 1.745) 2.246 99.452 ( 0.000 3.382 3.513) 4.876 99.812 ( 0.000 2.493 -3.385) 4.204 100.184 ( -0.000 -2.120 -4.907) 5.345 ======================= Grid point 162 (51/100) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 0.000 31.461) 31.461 1.320 ( 0.000 0.000 33.849) 33.849 2.033 ( 0.000 0.000 43.530) 43.530 2.915 ( 0.000 0.000 4.786) 4.786 2.960 ( 0.000 0.000 -14.043) 14.043 3.077 ( 0.000 0.000 -25.430) 25.430 3.106 ( 0.000 0.000 -0.073) 0.073 3.951 ( 0.000 0.000 -5.941) 5.941 3.960 ( 0.000 0.000 -4.688) 4.688 3.969 ( 0.000 0.000 -4.866) 4.866 4.050 ( 0.000 0.000 5.440) 5.440 4.241 ( 0.000 0.000 0.429) 0.429 4.360 ( 0.000 0.000 -0.605) 0.605 4.454 ( 0.000 0.000 7.129) 7.129 4.660 ( 0.000 0.000 -17.540) 17.540 4.812 ( 0.000 0.000 -0.354) 0.354 4.938 ( 0.000 0.000 10.008) 10.008 5.092 ( 0.000 0.000 0.999) 0.999 5.255 ( 0.000 0.000 -0.798) 0.798 5.393 ( 0.000 0.000 -5.003) 5.003 6.650 ( 0.000 0.000 -1.638) 1.638 6.765 ( 0.000 0.000 7.539) 7.539 7.017 ( 0.000 0.000 -8.198) 8.198 7.104 ( 0.000 0.000 0.714) 0.714 7.445 ( 0.000 0.000 4.045) 4.045 7.505 ( 0.000 0.000 6.466) 6.466 7.945 ( 0.000 0.000 -7.511) 7.511 7.955 ( 0.000 0.000 -1.076) 1.076 8.100 ( 0.000 0.000 3.119) 3.119 8.158 ( 0.000 0.000 -0.557) 0.557 8.818 ( 0.000 0.000 5.752) 5.752 9.432 ( 0.000 0.000 -10.747) 10.747 13.308 ( 0.000 0.000 4.266) 4.266 13.661 ( 0.000 0.000 -7.045) 7.045 15.373 ( 0.000 0.000 10.987) 10.987 15.911 ( 0.000 0.000 -5.643) 5.643 15.969 ( 0.000 0.000 11.714) 11.714 16.868 ( 0.000 0.000 -15.969) 15.969 17.507 ( 0.000 0.000 6.793) 6.793 17.949 ( 0.000 0.000 -7.010) 7.010 18.579 ( 0.000 0.000 10.070) 10.070 19.097 ( 0.000 0.000 -6.318) 6.318 19.699 ( 0.000 0.000 19.442) 19.442 21.012 ( 0.000 0.000 -19.998) 19.998 21.714 ( 0.000 0.000 3.523) 3.523 22.024 ( 0.000 0.000 -6.027) 6.027 23.506 ( 0.000 0.000 6.622) 6.622 23.861 ( 0.000 0.000 -4.304) 4.304 47.340 ( 0.000 0.000 3.141) 3.141 47.602 ( 0.000 0.000 -5.586) 5.586 48.187 ( 0.000 0.000 7.336) 7.336 48.545 ( 0.000 0.000 -4.227) 4.227 97.947 ( 0.000 0.000 0.345) 0.345 97.958 ( 0.000 0.000 0.029) 0.029 98.811 ( 0.000 0.000 1.102) 1.102 98.883 ( 0.000 0.000 -1.035) 1.035 99.058 ( 0.000 0.000 3.299) 3.299 99.294 ( 0.000 0.000 -3.707) 3.707 99.790 ( 0.000 0.000 0.861) 0.861 99.822 ( 0.000 0.000 -0.081) 0.081 ======================= Grid point 163 (52/100) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.700 -5.917 27.958) 28.585 1.363 ( 0.574 -10.251 29.781) 31.502 2.319 ( 18.291 -11.277 30.730) 37.498 2.917 ( -2.431 1.696 -9.014) 9.489 2.956 ( 5.543 0.446 3.835) 6.755 3.064 ( -0.315 -2.718 -22.194) 22.362 3.149 ( 4.601 -0.538 0.010) 4.633 3.844 ( -10.730 3.406 3.374) 11.753 3.946 ( -1.612 -0.283 -4.875) 5.142 3.964 ( 1.827 2.165 -4.628) 5.426 4.079 ( -4.821 -7.247 -3.856) 9.520 4.377 ( 4.071 -0.801 0.281) 4.158 4.437 ( -0.605 1.508 6.581) 6.779 4.452 ( 12.588 -5.265 -3.295) 14.037 4.667 ( -0.993 -1.625 -10.603) 10.773 4.797 ( -1.498 -0.467 -4.330) 4.606 4.959 ( 2.433 -0.199 9.654) 9.958 5.103 ( 1.358 -0.098 1.008) 1.694 5.219 ( -0.256 2.927 -0.882) 3.068 5.431 ( 3.157 -1.982 -5.105) 6.321 6.538 ( -3.287 9.376 -1.804) 10.097 6.737 ( -3.928 0.057 4.557) 6.016 6.919 ( 3.076 12.997 -6.557) 14.879 7.111 ( 1.450 0.895 0.624) 1.814 7.375 ( -5.296 3.896 4.679) 8.069 7.451 ( 2.098 4.632 10.300) 11.487 7.834 ( 3.683 6.194 4.312) 8.398 7.976 ( 3.061 -2.693 -5.670) 6.983 8.234 ( 6.517 -5.246 3.597) 9.106 8.563 ( 8.616 -22.952 -12.791) 27.652 8.841 ( 4.003 0.073 3.785) 5.510 9.439 ( -1.166 -2.155 -11.142) 11.408 13.220 ( -2.614 5.710 8.353) 10.451 13.725 ( -1.623 -6.923 -11.405) 13.440 15.367 ( -5.386 -4.692 10.482) 12.684 15.806 ( -9.493 1.165 -0.869) 9.604 16.095 ( 14.976 -1.098 11.633) 18.995 17.037 ( 18.882 0.278 -18.907) 26.723 17.555 ( 2.825 -3.628 6.912) 8.301 17.991 ( 1.862 -3.578 -6.861) 7.959 18.516 ( -7.929 0.456 10.154) 12.891 19.069 ( -4.674 -1.473 -7.198) 8.708 19.658 ( -3.373 2.006 19.099) 19.498 20.914 ( -9.649 3.399 -17.778) 20.511 21.432 ( -6.646 19.815 14.131) 25.229 22.020 ( 0.007 0.904 -8.156) 8.206 23.629 ( -4.822 -9.263 0.848) 10.477 23.937 ( 1.580 -11.319 -7.020) 13.412 47.228 ( -1.420 7.999 8.918) 12.064 47.623 ( 0.719 -0.252 -7.165) 7.206 48.192 ( -2.948 -3.031 6.799) 8.006 48.532 ( -3.574 -1.808 -4.089) 5.724 97.951 ( 0.630 0.104 0.396) 0.751 97.963 ( 0.651 0.167 0.090) 0.678 98.786 ( -1.852 1.220 0.741) 2.338 98.844 ( -5.093 0.923 -0.280) 5.184 99.076 ( 0.661 -0.125 4.152) 4.206 99.184 ( -6.482 -2.547 5.900) 9.128 99.673 ( 8.924 13.645 2.792) 16.542 100.134 ( 13.988 -7.216 -14.788) 21.597 ======================= Grid point 164 (53/100) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 5.682 -16.309 16.280) 23.734 1.612 ( 8.492 -14.087 19.940) 25.849 2.619 ( 6.535 -0.057 -6.716) 9.371 2.955 ( 4.763 -2.947 6.042) 8.239 3.058 ( 8.336 -0.732 5.689) 10.118 3.121 ( 0.737 -3.969 -16.076) 16.575 3.324 ( 13.356 -6.988 8.330) 17.222 3.649 ( -11.616 -0.277 5.402) 12.814 3.890 ( -4.859 1.522 -2.027) 5.480 3.917 ( -1.700 4.950 -4.353) 6.807 4.075 ( -6.190 -5.362 -3.119) 8.764 4.392 ( -0.412 2.977 6.670) 7.316 4.421 ( 0.525 -0.018 0.394) 0.657 4.625 ( -4.833 0.716 2.521) 5.498 4.649 ( 5.544 0.811 -6.157) 8.325 4.860 ( 5.720 -4.203 -10.683) 12.827 5.027 ( 5.143 -1.839 9.040) 10.562 5.132 ( 2.393 -0.232 2.484) 3.457 5.212 ( 1.071 -1.746 -2.358) 3.124 5.549 ( 4.940 -5.952 -6.473) 10.086 6.325 ( -5.468 10.910 -2.111) 12.385 6.620 ( 0.579 11.282 -6.142) 12.859 6.842 ( 3.055 4.186 3.099) 6.039 7.123 ( 2.513 1.820 4.106) 5.146 7.216 ( -5.239 5.142 2.245) 7.677 7.444 ( 0.472 -0.303 6.226) 6.251 7.776 ( -1.834 4.111 3.678) 5.813 8.139 ( 11.048 -3.124 -1.450) 11.572 8.412 ( 5.855 -5.340 7.304) 10.777 8.835 ( 0.258 -6.865 -15.920) 17.339 9.006 ( 11.671 -5.129 -0.174) 12.749 9.460 ( -3.375 -5.139 -11.045) 12.641 13.119 ( -1.895 3.156 10.265) 10.905 13.775 ( -2.924 -4.532 -14.170) 15.161 15.356 ( -5.771 -5.154 10.095) 12.720 15.665 ( -7.145 0.751 2.196) 7.513 16.400 ( 22.245 -1.759 11.437) 25.075 17.323 ( 21.234 2.256 -17.843) 27.827 17.690 ( 4.863 -6.568 7.153) 10.860 18.093 ( 1.074 -6.267 -6.390) 9.015 18.346 ( -13.535 0.353 10.489) 17.127 19.022 ( -5.705 -2.793 -9.306) 11.267 19.556 ( -4.813 2.714 17.095) 17.966 20.661 ( -14.291 5.460 -13.388) 20.330 21.106 ( -3.963 13.734 16.477) 21.813 22.002 ( 0.421 1.923 -12.492) 12.647 23.597 ( -4.649 0.606 5.512) 7.236 24.135 ( -2.714 -13.223 -11.795) 17.926 47.156 ( 5.128 5.109 9.959) 12.311 47.618 ( 0.013 1.586 -7.265) 7.436 48.184 ( -3.445 -2.597 6.341) 7.670 48.493 ( -6.621 -3.107 -3.778) 8.232 97.959 ( 0.725 0.304 0.508) 0.936 97.968 ( 0.473 0.332 0.354) 0.677 98.730 ( -2.767 1.820 0.519) 3.352 98.733 ( -5.580 1.499 1.547) 5.981 99.091 ( 1.307 -1.268 4.535) 4.887 99.224 ( 1.220 -4.163 5.052) 6.659 99.612 ( 5.114 8.698 3.949) 10.835 100.366 ( 10.596 -0.230 -18.472) 21.296 ======================= Grid point 165 (54/100) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 7.832 -14.205 14.037) 21.452 2.017 ( 13.530 -17.288 5.290) 22.582 2.671 ( 3.486 -0.989 -10.919) 11.505 2.973 ( 1.109 6.138 6.038) 8.681 3.120 ( -1.039 1.423 3.730) 4.125 3.264 ( 7.130 -5.438 -13.127) 15.897 3.452 ( -5.526 4.572 3.433) 7.951 3.605 ( -1.223 -0.597 -0.717) 1.539 3.830 ( -3.207 -0.887 -3.080) 4.534 3.885 ( 6.364 -6.971 9.452) 13.358 4.053 ( -5.271 -2.653 -0.067) 5.901 4.333 ( 0.498 5.250 6.682) 8.512 4.399 ( -1.281 1.915 1.683) 2.853 4.511 ( -5.511 1.018 1.121) 5.715 4.710 ( 3.223 -1.616 -1.975) 4.111 5.020 ( 6.866 -4.607 -3.289) 8.898 5.110 ( 2.819 0.265 3.836) 4.768 5.203 ( 4.523 -2.572 5.072) 7.266 5.280 ( 0.536 -4.580 -0.174) 4.614 5.738 ( 3.403 -10.393 -8.302) 13.730 6.051 ( -7.861 12.663 -0.674) 14.920 6.444 ( 2.276 15.269 -10.454) 18.644 6.844 ( 0.724 -0.078 5.545) 5.593 7.065 ( -3.295 3.083 9.192) 10.240 7.159 ( 3.795 3.094 -1.799) 5.217 7.456 ( -1.983 -2.272 -1.380) 3.316 7.689 ( -1.327 3.316 6.084) 7.055 8.318 ( 8.401 0.023 5.620) 10.108 8.570 ( 7.462 -3.627 1.934) 8.519 8.905 ( -2.409 -5.276 -17.920) 18.835 9.214 ( 11.876 0.717 -0.975) 11.938 9.483 ( -6.915 -7.791 -8.937) 13.726 13.067 ( -1.006 1.286 10.088) 10.219 13.783 ( -2.388 -2.265 -14.860) 15.220 15.352 ( -3.809 -3.870 9.697) 11.114 15.572 ( -4.135 0.830 2.480) 4.893 16.767 ( 23.707 -1.084 11.035) 26.172 17.570 ( 16.520 2.940 -13.256) 21.384 17.870 ( 3.461 -7.795 5.835) 10.334 18.087 ( -12.114 -0.161 10.371) 15.948 18.229 ( -3.209 -6.420 -4.289) 8.361 18.965 ( -5.845 0.112 -6.539) 8.771 19.491 ( -0.011 -0.936 8.812) 8.861 20.356 ( -15.358 6.107 -12.515) 20.731 20.899 ( -2.250 8.216 17.985) 19.901 21.980 ( 0.566 1.956 -16.279) 16.406 23.522 ( -2.822 1.603 9.829) 10.351 24.233 ( -3.426 -6.862 -12.545) 14.704 47.212 ( 9.560 2.908 7.022) 12.214 47.575 ( -3.311 1.136 -5.165) 6.240 48.180 ( -0.307 -0.914 4.787) 4.883 48.431 ( -7.989 -3.310 -3.237) 9.233 97.962 ( 0.353 0.378 0.678) 0.853 97.969 ( 0.297 0.288 0.490) 0.641 98.646 ( -3.582 0.625 1.058) 3.787 98.669 ( -1.911 2.008 -0.657) 2.849 99.145 ( 2.043 -2.208 2.867) 4.156 99.287 ( 0.508 -1.793 2.542) 3.152 99.576 ( 3.409 4.426 8.084) 9.827 100.476 ( 5.810 0.972 -17.149) 18.133 ======================= Grid point 166 (55/100) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 4.986 -6.633 13.417) 15.776 2.448 ( 10.731 -13.654 -5.617) 18.252 2.761 ( 2.483 -1.390 -3.219) 4.296 2.866 ( 0.868 5.366 7.909) 9.597 2.985 ( -8.766 5.267 8.291) 13.165 3.267 ( -5.384 5.201 -2.716) 7.964 3.399 ( 0.718 -3.035 -13.013) 13.382 3.613 ( 7.881 2.382 -9.697) 12.720 3.837 ( -4.262 -4.788 1.016) 6.490 3.938 ( -4.843 -0.009 -2.066) 5.265 4.098 ( 2.470 -1.502 8.627) 9.099 4.253 ( -0.783 3.593 3.356) 4.978 4.393 ( 3.520 0.802 7.316) 8.158 4.456 ( -2.844 -1.025 -1.040) 3.197 4.804 ( 3.103 -3.088 5.976) 7.408 5.110 ( -0.012 0.495 5.562) 5.584 5.203 ( 5.580 -5.056 -2.105) 7.819 5.291 ( 1.827 -1.742 4.653) 5.294 5.333 ( -0.245 -1.953 4.149) 4.592 5.735 ( -7.437 8.473 -1.121) 11.329 5.948 ( 1.682 -8.429 -7.665) 11.516 6.258 ( 0.970 11.579 -13.045) 17.469 6.856 ( 0.064 -0.439 5.669) 5.687 7.002 ( -0.923 1.184 7.159) 7.315 7.167 ( 1.872 1.619 1.620) 2.958 7.448 ( -1.991 -1.130 -8.065) 8.384 7.653 ( 0.344 1.067 8.570) 8.643 8.385 ( 2.125 0.450 9.872) 10.109 8.717 ( 6.335 -0.621 -1.464) 6.532 8.919 ( -3.520 -2.947 -20.928) 21.425 9.337 ( 8.520 3.328 -1.862) 9.335 9.479 ( -6.829 -5.702 -6.038) 10.752 13.046 ( -0.311 0.330 9.758) 9.768 13.780 ( -0.893 -0.685 -15.007) 15.049 15.356 ( -1.265 -1.583 9.285) 9.504 15.520 ( -1.418 0.545 2.247) 2.712 17.082 ( 14.898 -0.114 10.111) 18.005 17.673 ( -0.658 0.430 -3.223) 3.317 17.865 ( -4.445 0.018 1.433) 4.670 18.086 ( 4.140 -2.868 13.934) 14.816 18.271 ( -2.398 -3.663 -9.321) 10.298 18.858 ( -4.017 2.067 -0.285) 4.527 19.592 ( 5.833 -4.005 -2.337) 7.452 20.059 ( -10.986 5.148 -10.245) 15.879 20.799 ( -0.610 2.679 18.547) 18.750 21.964 ( 0.247 0.838 -18.202) 18.223 23.476 ( -0.932 0.659 11.897) 11.952 24.258 ( -1.443 -1.981 -12.566) 12.802 47.324 ( 8.718 1.462 3.584) 9.539 47.491 ( -6.222 -0.166 -1.557) 6.416 48.200 ( 1.884 0.321 2.613) 3.237 48.368 ( -4.873 -1.809 -2.487) 5.763 97.961 ( 0.100 0.140 0.738) 0.758 97.968 ( 0.085 0.141 0.558) 0.582 98.608 ( -1.283 -0.262 -0.506) 1.404 98.623 ( -0.646 1.281 -0.788) 1.637 99.203 ( 1.301 -1.681 1.364) 2.525 99.290 ( -0.471 0.614 0.747) 1.076 99.576 ( 1.386 0.950 11.673) 11.794 100.521 ( 1.833 0.421 -15.920) 16.031 ======================= Grid point 172 (56/100) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 5.740 -0.000 25.171) 25.817 1.388 ( 11.253 -0.000 24.855) 27.284 2.574 ( 22.188 -0.000 22.251) 31.424 2.924 ( -6.770 0.000 -21.823) 22.849 2.970 ( 4.536 -0.000 -1.529) 4.787 3.079 ( 9.553 -0.000 0.679) 9.577 3.246 ( 8.619 -0.000 -0.235) 8.622 3.664 ( -15.115 0.000 7.569) 16.904 3.907 ( -3.165 0.000 -2.757) 4.197 3.981 ( -3.165 0.000 -5.780) 6.590 4.002 ( -1.332 0.000 -3.808) 4.035 4.414 ( -2.347 0.000 5.656) 6.124 4.434 ( 4.538 -0.000 -1.148) 4.681 4.626 ( -3.227 0.000 -2.222) 3.918 4.664 ( 16.316 -0.000 -4.215) 16.851 4.759 ( -1.553 0.000 -10.439) 10.554 4.991 ( 2.224 -0.000 9.338) 9.599 5.145 ( 3.887 -0.000 4.533) 5.972 5.233 ( -1.099 0.000 -0.421) 1.177 5.478 ( 5.301 -0.000 -5.567) 7.687 6.520 ( -8.554 0.000 -1.621) 8.706 6.668 ( -3.478 0.000 3.667) 5.054 7.000 ( -0.837 0.000 -5.681) 5.743 7.190 ( 6.457 -0.000 -4.394) 7.810 7.321 ( -5.571 0.000 7.962) 9.717 7.497 ( -1.482 0.000 5.523) 5.719 7.975 ( 1.096 -0.000 0.518) 1.212 8.028 ( 7.216 -0.000 -0.357) 7.224 8.376 ( 10.996 -0.000 2.278) 11.230 8.535 ( 16.314 -0.000 -12.580) 20.601 8.921 ( 7.569 -0.000 -0.569) 7.590 9.406 ( -1.619 0.000 -12.672) 12.775 13.206 ( -4.867 0.000 8.462) 9.762 13.650 ( -0.583 0.000 -7.623) 7.645 15.258 ( -4.399 0.000 10.996) 11.843 15.673 ( -8.085 0.000 0.261) 8.089 16.371 ( 22.919 -0.000 11.514) 25.648 17.371 ( 23.437 -0.000 -22.686) 32.618 17.587 ( 4.951 -0.000 6.772) 8.389 17.987 ( 0.468 -0.000 -6.154) 6.172 18.352 ( -14.291 0.000 10.737) 17.875 18.964 ( -6.723 0.000 -8.272) 10.660 19.602 ( -5.894 0.000 18.154) 19.087 20.751 ( -15.414 0.000 -15.037) 21.534 21.402 ( -14.823 0.000 14.900) 21.017 22.025 ( -0.163 0.000 -8.308) 8.310 23.477 ( -2.076 0.000 7.445) 7.729 23.932 ( 4.917 -0.000 -6.916) 8.486 47.265 ( 0.357 -0.000 9.533) 9.540 47.637 ( 0.430 -0.000 -5.577) 5.594 48.125 ( -1.996 0.000 6.688) 6.980 48.445 ( -6.317 0.000 -3.751) 7.346 97.964 ( 0.874 -0.000 0.529) 1.022 97.974 ( 0.465 -0.000 0.399) 0.613 98.756 ( -6.918 0.000 1.868) 7.166 98.757 ( -2.913 0.000 -0.452) 2.948 99.107 ( 0.254 -0.000 7.166) 7.170 99.128 ( 4.215 -0.000 4.762) 6.360 99.815 ( -0.745 0.000 0.731) 1.044 100.341 ( 15.622 -0.000 -23.375) 28.115 ======================= Grid point 173 (57/100) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 17.677 -7.494 12.712) 23.027 1.651 ( 17.164 -6.509 17.202) 25.157 2.721 ( 2.270 4.079 -11.893) 12.776 2.933 ( -1.177 -8.268 -10.832) 13.677 3.123 ( 10.691 0.304 9.309) 14.179 3.218 ( 9.587 1.451 0.108) 9.697 3.404 ( 1.215 -5.874 1.303) 6.138 3.525 ( 5.920 0.511 14.361) 15.542 3.837 ( -4.558 1.019 0.232) 4.676 3.899 ( -7.249 0.749 -4.314) 8.468 3.968 ( -2.688 -0.681 -3.316) 4.322 4.366 ( -2.918 0.200 3.692) 4.710 4.468 ( -1.933 1.096 3.002) 3.735 4.545 ( -4.698 1.277 0.744) 4.925 4.758 ( 2.844 1.010 -7.641) 8.215 4.885 ( 8.236 -2.574 -7.724) 11.581 5.055 ( 4.082 -3.550 8.335) 9.936 5.194 ( 2.230 1.615 4.057) 4.903 5.217 ( 1.721 -0.164 2.793) 3.285 5.578 ( 6.464 -1.209 -7.345) 9.859 6.331 ( -10.089 5.591 -0.587) 11.550 6.634 ( -2.831 -0.672 -0.530) 2.958 6.968 ( 0.730 3.677 -2.929) 4.758 7.210 ( -4.269 3.872 4.829) 7.519 7.279 ( 9.414 4.745 -2.823) 10.913 7.463 ( -1.189 0.792 4.286) 4.518 7.873 ( 0.691 11.138 1.887) 11.318 8.234 ( 10.825 -7.860 5.032) 14.293 8.500 ( 8.592 1.862 7.111) 11.308 8.766 ( 3.373 -4.719 -15.181) 16.251 9.113 ( 13.670 -4.804 -6.140) 15.737 9.381 ( -2.495 -0.423 -14.000) 14.227 13.124 ( -2.970 2.063 9.832) 10.476 13.675 ( -1.245 -3.820 -9.835) 10.624 15.231 ( -2.770 -3.045 10.585) 11.357 15.582 ( -4.452 0.002 0.715) 4.509 16.745 ( 26.420 -0.393 11.326) 28.748 17.635 ( 7.399 -0.249 -8.852) 11.540 17.721 ( 14.676 0.077 -3.104) 15.001 17.989 ( -5.105 -4.861 -5.082) 8.690 18.132 ( -13.191 -0.603 10.687) 16.988 18.909 ( -2.945 -2.375 -10.208) 10.886 19.505 ( -5.121 0.892 15.308) 16.167 20.488 ( -16.814 2.538 -12.591) 21.159 21.142 ( -11.273 6.232 17.899) 22.052 22.014 ( -0.879 0.455 -11.704) 11.746 23.473 ( -4.951 -3.956 8.153) 10.326 24.043 ( 5.304 -3.710 -9.663) 11.631 47.297 ( 6.656 2.174 7.986) 10.621 47.598 ( -5.616 0.392 -3.109) 6.431 48.147 ( 3.416 -1.111 3.536) 5.040 48.352 ( -7.556 -1.562 -2.743) 8.189 97.973 ( 0.372 0.279 0.696) 0.837 97.976 ( 0.137 0.136 0.685) 0.711 98.662 ( -5.116 0.376 2.343) 5.640 98.709 ( -2.763 0.652 -1.439) 3.183 99.131 ( 4.019 0.914 5.221) 6.652 99.220 ( 4.413 -2.308 5.819) 7.659 99.753 ( -0.708 5.330 2.080) 5.765 100.493 ( 5.540 0.181 -22.259) 22.938 ======================= Grid point 174 (58/100) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 18.281 -6.744 12.016) 22.893 2.062 ( 20.385 -10.463 4.029) 23.265 2.718 ( 3.426 0.530 -13.423) 13.863 2.973 ( -6.038 -3.785 -1.032) 7.200 3.148 ( 0.053 3.982 -0.580) 4.024 3.305 ( 2.953 1.942 -0.051) 3.535 3.451 ( 1.253 1.128 5.184) 5.451 3.599 ( 0.716 2.390 -0.748) 2.605 3.814 ( -3.163 -3.675 -5.533) 7.357 3.859 ( -1.110 1.661 -2.870) 3.497 4.011 ( 10.377 -5.347 12.672) 17.230 4.326 ( -3.221 -0.365 2.736) 4.242 4.357 ( -9.200 -1.689 5.302) 10.752 4.494 ( 1.871 3.416 1.832) 4.304 4.764 ( 1.261 1.643 -3.108) 3.735 5.030 ( 4.939 -5.010 -4.817) 8.526 5.146 ( 0.868 -0.587 3.412) 3.569 5.227 ( 3.728 -2.801 6.046) 7.636 5.266 ( 3.394 0.149 5.993) 6.889 5.687 ( 3.655 -2.840 -7.002) 8.394 6.078 ( -9.684 8.201 0.368) 12.695 6.577 ( -2.998 3.446 -7.438) 8.728 6.919 ( 1.857 5.282 2.210) 6.019 7.102 ( -0.778 4.764 4.737) 6.763 7.326 ( 7.980 6.867 -0.350) 10.534 7.442 ( -0.482 0.969 0.458) 1.175 7.735 ( 0.460 7.340 1.595) 7.526 8.466 ( 7.991 0.882 9.341) 12.324 8.609 ( 6.689 -4.724 8.141) 11.547 8.815 ( -2.243 -3.222 -17.629) 18.061 9.333 ( -4.338 -0.573 -12.810) 13.537 9.395 ( 15.070 -2.215 -8.173) 17.286 13.069 ( -1.252 1.190 9.783) 9.935 13.711 ( -1.101 -3.491 -12.167) 12.705 15.256 ( -1.001 -3.997 9.989) 10.805 15.536 ( -1.671 0.271 0.965) 1.948 17.108 ( 20.676 1.713 10.455) 23.233 17.619 ( -10.775 -3.833 0.654) 11.455 17.811 ( -7.036 -2.369 -3.661) 8.278 18.005 ( 4.902 -2.034 15.269) 16.165 18.157 ( 9.930 -3.415 -12.050) 15.984 18.898 ( -3.266 -0.100 -5.594) 6.478 19.489 ( 3.687 -2.151 5.495) 6.958 20.200 ( -15.495 3.733 -11.248) 19.508 20.919 ( -7.909 4.594 18.757) 20.868 21.985 ( -2.126 0.479 -15.745) 15.895 23.443 ( -5.177 -2.701 10.868) 12.337 24.167 ( 4.138 -3.271 -11.814) 12.938 47.377 ( 6.255 1.973 3.712) 7.536 47.481 ( -8.230 -0.510 -0.014) 8.246 48.213 ( 1.493 0.565 1.219) 2.009 48.304 ( 0.236 -2.381 -1.586) 2.870 97.968 ( -0.242 0.262 0.885) 0.955 97.975 ( -0.053 0.257 0.601) 0.656 98.599 ( -3.170 -0.153 1.415) 3.475 98.661 ( -1.856 0.964 -2.059) 2.935 99.187 ( 4.968 0.726 3.397) 6.062 99.304 ( 3.634 -0.467 4.872) 6.096 99.663 ( -1.184 4.612 5.160) 7.022 100.526 ( -0.184 -0.045 -18.559) 18.560 ======================= Grid point 175 (59/100) ======================= q-point: ( 0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 11.616 -1.398 12.645) 17.227 2.484 ( 15.176 -7.705 -5.644) 17.932 2.796 ( 4.787 -0.187 -7.669) 9.042 2.929 ( -0.744 0.084 6.945) 6.986 3.007 ( -4.142 10.030 4.220) 11.643 3.245 ( -5.883 0.316 -5.559) 8.100 3.351 ( -0.945 4.509 -1.330) 4.795 3.676 ( -4.568 1.311 -9.116) 10.280 3.766 ( 2.414 -4.291 0.845) 4.995 3.915 ( 6.317 -4.147 -3.587) 8.365 4.128 ( -0.330 0.846 5.509) 5.584 4.256 ( -3.892 2.885 2.999) 5.698 4.346 ( -1.842 -4.546 6.974) 8.526 4.520 ( 6.231 3.170 3.356) 7.755 4.781 ( -0.068 -2.908 2.830) 4.058 5.143 ( 2.157 1.111 6.543) 6.978 5.156 ( -0.411 -4.006 -5.368) 6.711 5.295 ( 1.144 -0.352 6.575) 6.683 5.332 ( 3.831 -2.516 8.415) 9.583 5.708 ( -4.945 1.526 -0.970) 5.266 5.901 ( -0.046 0.475 -6.051) 6.070 6.432 ( -2.985 9.999 -13.072) 16.727 6.881 ( 1.390 2.934 6.383) 7.161 7.049 ( 1.374 3.433 3.608) 5.167 7.290 ( 3.690 9.455 3.106) 10.614 7.444 ( 1.201 -1.586 -0.943) 2.201 7.674 ( 1.329 3.897 -0.244) 4.125 8.477 ( 2.983 5.410 10.101) 11.841 8.688 ( -4.905 -1.036 -5.539) 7.471 8.907 ( 4.675 -6.911 -5.608) 10.053 9.246 ( -7.024 0.545 -10.087) 12.304 9.620 ( 15.017 2.614 -9.411) 17.914 13.047 ( -0.262 0.377 9.592) 9.603 13.748 ( 0.039 -2.616 -13.904) 14.148 15.314 ( 1.021 -3.660 9.623) 10.346 15.525 ( 0.986 0.520 1.562) 1.919 17.118 ( -14.104 2.274 8.635) 16.693 17.600 ( -7.393 -4.299 -4.270) 9.558 17.787 ( 5.847 -4.869 6.228) 9.833 18.117 ( 3.900 -0.893 13.700) 14.272 18.353 ( 12.329 1.906 -10.266) 16.156 18.831 ( -2.268 0.389 0.467) 2.348 19.638 ( 6.289 -1.702 -4.623) 7.989 19.976 ( -5.403 0.446 -9.250) 10.722 20.778 ( -5.682 0.969 18.311) 19.197 21.942 ( -3.481 -0.560 -18.643) 18.974 23.416 ( -3.783 -3.003 13.601) 14.433 24.264 ( 4.700 -1.297 -13.157) 14.031 47.294 ( -11.308 -0.632 3.336) 11.807 47.494 ( 4.344 0.039 -2.575) 5.050 48.192 ( -1.201 -0.241 3.873) 4.062 48.406 ( 9.112 0.744 -2.666) 9.523 97.961 ( -0.366 0.089 0.758) 0.846 97.968 ( -0.385 0.128 0.555) 0.688 98.576 ( -1.339 -1.270 0.536) 1.922 98.632 ( -0.308 0.720 -2.000) 2.148 99.248 ( 4.902 1.328 1.562) 5.313 99.329 ( 2.069 2.658 2.159) 4.001 99.590 ( -2.349 1.841 9.588) 10.042 100.502 ( -3.812 -0.839 -16.004) 16.473 ======================= Grid point 176 (60/100) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 2.318 9.389 9.824) 13.786 2.563 ( -5.150 17.212 -4.271) 18.467 2.732 ( 0.202 -2.775 1.987) 3.419 2.829 ( -2.994 4.508 1.643) 5.656 3.084 ( 8.617 -0.425 8.470) 12.091 3.271 ( 4.656 -8.677 -7.153) 12.171 3.345 ( -0.302 -2.597 -7.189) 7.649 3.483 ( -7.823 2.884 -9.311) 12.499 3.969 ( 6.645 -5.289 1.970) 8.719 4.038 ( 7.952 4.396 -0.040) 9.086 4.108 ( -1.159 0.451 5.148) 5.296 4.169 ( -3.913 -2.194 4.875) 6.625 4.341 ( -2.754 1.031 5.866) 6.562 4.518 ( 1.432 1.914 -1.215) 2.681 4.788 ( -1.803 1.096 4.678) 5.132 5.121 ( -2.641 2.727 7.276) 8.207 5.146 ( -3.759 0.259 -2.360) 4.446 5.279 ( -3.616 1.495 1.360) 4.142 5.391 ( 2.328 2.268 6.015) 6.837 5.712 ( 5.897 -6.464 0.845) 8.790 5.974 ( 0.847 -4.282 -6.010) 7.428 6.220 ( -3.689 9.771 -14.515) 17.882 6.870 ( 0.806 1.061 6.102) 6.245 7.038 ( 2.095 1.248 2.839) 3.742 7.204 ( 2.107 7.001 5.034) 8.877 7.514 ( 2.696 -3.624 -0.252) 4.524 7.629 ( 0.377 4.428 0.719) 4.502 8.408 ( -1.676 5.958 6.834) 9.220 8.596 ( -7.028 -0.679 -7.544) 10.333 9.047 ( 3.685 -2.566 -1.815) 4.843 9.117 ( -8.481 1.106 -7.349) 11.276 9.744 ( 12.094 8.062 -10.632) 18.009 13.047 ( 0.326 -0.206 9.750) 9.758 13.790 ( 1.433 -1.639 -15.397) 15.550 15.388 ( 3.282 -1.994 9.876) 10.597 15.554 ( 3.730 0.132 2.477) 4.480 16.805 ( -22.111 1.417 9.790) 24.222 17.458 ( -18.038 -5.208 -10.411) 21.468 18.046 ( 16.921 -1.927 9.981) 19.740 18.092 ( -2.486 5.485 10.612) 12.202 18.416 ( 4.252 5.744 -6.023) 9.346 18.895 ( 6.783 -3.567 0.393) 7.674 19.580 ( -4.411 4.544 -1.721) 6.563 20.147 ( 14.007 -7.637 -11.770) 19.825 20.724 ( -4.114 -3.470 17.523) 18.331 21.908 ( -4.088 -2.606 -19.876) 20.459 23.425 ( -2.028 -4.121 15.023) 15.710 24.349 ( 6.507 0.914 -14.446) 15.870 47.142 ( -11.146 -1.802 5.736) 12.664 47.536 ( 0.139 -1.369 -7.230) 7.359 48.204 ( 3.142 0.774 6.920) 7.639 48.521 ( 9.419 2.558 -3.604) 10.404 97.955 ( -0.483 -0.107 0.596) 0.774 97.962 ( -0.453 -0.148 0.421) 0.636 98.597 ( 0.330 -2.500 0.352) 2.547 98.636 ( 1.593 -0.125 -0.974) 1.871 99.256 ( 1.511 4.885 1.513) 5.333 99.329 ( 3.739 1.697 -0.596) 4.149 99.527 ( -4.308 0.393 11.891) 12.653 100.441 ( -6.802 -1.415 -14.919) 16.457 ======================= Grid point 177 (61/100) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.887 16.746 11.378) 20.264 2.156 ( -7.358 21.752 5.137) 23.530 2.649 ( -3.912 3.789 -7.216) 9.040 2.861 ( -1.176 -5.477 1.960) 5.935 3.106 ( -3.066 -0.131 3.647) 4.766 3.227 ( -6.696 3.976 -13.316) 15.426 3.491 ( 6.672 -1.260 1.644) 6.986 3.589 ( 7.432 -8.622 -3.703) 11.970 3.921 ( -6.024 10.719 12.207) 17.326 3.964 ( 0.353 6.804 4.071) 7.936 4.157 ( 5.452 0.259 -2.781) 6.125 4.217 ( 1.157 -6.868 7.045) 9.907 4.376 ( 2.458 -5.807 2.809) 6.904 4.547 ( 1.866 -1.172 -1.571) 2.707 4.723 ( -1.470 3.203 -0.909) 3.640 4.986 ( -6.288 4.628 -3.571) 8.586 5.081 ( -3.355 2.627 5.144) 6.680 5.179 ( -3.553 2.369 2.249) 4.826 5.354 ( 0.713 5.389 -1.177) 5.562 5.837 ( -5.501 9.163 -9.272) 14.148 5.983 ( 6.516 -7.530 -1.519) 10.073 6.204 ( -1.487 -10.390 -5.863) 12.023 6.861 ( 0.251 1.557 4.420) 4.693 7.085 ( 2.430 -2.946 0.005) 3.819 7.156 ( 3.431 4.628 9.163) 10.823 7.557 ( -0.591 4.843 3.978) 6.295 7.619 ( 2.160 -5.266 0.769) 5.744 8.253 ( -6.669 5.593 -2.263) 8.993 8.522 ( -2.973 1.389 1.802) 3.744 8.975 ( -8.824 0.506 -3.946) 9.679 9.082 ( 1.524 2.948 -4.983) 5.987 9.737 ( 7.222 11.872 -11.276) 17.895 13.063 ( 0.659 -0.940 10.207) 10.271 13.834 ( 2.348 -0.372 -16.811) 16.978 15.465 ( 5.850 0.848 10.196) 11.785 15.631 ( 5.915 -0.923 3.622) 6.997 16.458 ( -21.143 1.903 10.752) 23.796 17.250 ( -18.432 -3.362 -13.415) 23.044 17.926 ( -4.400 8.481 9.235) 13.288 18.268 ( 7.880 2.685 2.208) 8.613 18.364 ( 4.847 3.852 1.402) 6.348 19.053 ( 7.204 -1.589 -4.014) 8.398 19.505 ( 0.415 0.560 8.760) 8.787 20.471 ( 13.520 -7.165 -13.520) 20.419 20.765 ( -2.292 -8.799 16.038) 18.436 21.905 ( -3.318 -4.465 -19.301) 20.086 23.478 ( -0.387 -5.473 14.279) 15.297 24.419 ( 7.716 4.457 -16.313) 18.588 47.033 ( -8.122 -3.134 8.257) 11.998 47.550 ( -1.749 -2.691 -9.418) 9.950 48.248 ( 4.847 1.842 7.907) 9.456 48.600 ( 7.350 3.651 -4.074) 9.163 97.950 ( -0.539 -0.269 0.462) 0.760 97.958 ( -0.472 -0.283 0.239) 0.600 98.653 ( 1.260 -3.240 0.813) 3.571 98.685 ( 3.571 -1.431 0.764) 3.922 99.189 ( 0.243 5.085 2.675) 5.750 99.349 ( 3.042 4.015 0.612) 5.074 99.456 ( -5.634 -1.721 9.271) 10.984 100.344 ( -8.979 -1.390 -14.841) 17.402 ======================= Grid point 178 (62/100) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -2.708 21.727 11.566) 24.762 1.801 ( 0.277 17.898 19.492) 26.464 2.558 ( -3.978 2.273 -8.376) 9.547 2.896 ( -2.272 -3.153 2.092) 4.414 3.029 ( -2.709 2.829 -5.114) 6.442 3.135 ( -1.538 0.767 -7.502) 7.696 3.314 ( -8.701 17.484 16.985) 25.882 3.764 ( 6.603 -3.172 1.503) 7.478 3.865 ( 1.148 -3.047 -1.054) 3.422 3.931 ( 0.847 -0.853 -1.790) 2.156 4.225 ( 3.901 -0.811 -3.229) 5.129 4.325 ( 3.022 -2.614 6.072) 7.269 4.445 ( -0.573 1.742 2.102) 2.790 4.609 ( 1.422 -5.310 1.592) 5.723 4.679 ( 1.478 4.475 -5.386) 7.156 4.813 ( -6.786 4.062 -9.465) 12.335 4.984 ( -3.430 1.933 10.490) 11.204 5.131 ( -0.090 1.586 -1.014) 1.884 5.265 ( -0.233 6.571 -5.298) 8.444 5.588 ( -5.220 9.538 -8.476) 13.786 6.188 ( 0.487 -11.611 -1.373) 11.702 6.367 ( -0.815 -13.643 -1.862) 13.794 6.832 ( -0.234 2.127 4.334) 4.833 7.115 ( 0.402 1.045 -0.774) 1.361 7.234 ( 5.983 -3.965 9.391) 11.820 7.481 ( -0.539 4.091 8.631) 9.567 7.707 ( -1.657 -5.190 1.162) 5.571 8.092 ( -3.271 5.060 -8.199) 10.174 8.444 ( -1.681 5.238 7.774) 9.524 8.854 ( -6.229 0.409 0.536) 6.266 9.005 ( -0.465 8.669 -10.352) 13.510 9.631 ( 2.721 11.385 -11.463) 16.384 13.096 ( 0.699 -2.338 10.623) 10.900 13.861 ( 2.055 1.545 -17.885) 18.069 15.528 ( 6.857 4.007 9.611) 12.467 15.749 ( 6.672 -2.139 3.967) 8.052 16.148 ( -15.731 2.180 11.576) 19.652 17.032 ( -14.128 -0.428 -15.309) 20.836 17.744 ( -2.744 8.451 7.960) 11.929 18.172 ( -1.666 7.872 -6.471) 10.325 18.492 ( 7.389 -1.012 9.487) 12.068 19.128 ( 3.645 1.763 -7.861) 8.842 19.561 ( 2.453 -3.679 17.460) 18.011 20.742 ( 9.344 -7.329 -11.814) 16.751 20.905 ( -1.785 -13.479 12.966) 18.788 21.939 ( -1.393 -4.720 -16.416) 17.137 23.570 ( 0.675 -6.426 10.308) 12.166 24.417 ( 6.092 10.909 -18.901) 22.657 47.008 ( -3.537 -5.557 10.525) 12.416 47.573 ( -0.924 -3.138 -9.894) 10.420 48.279 ( 3.332 2.450 7.435) 8.508 48.627 ( 3.954 4.039 -4.257) 7.076 97.946 ( -0.460 -0.231 0.349) 0.622 97.956 ( -0.404 -0.269 0.082) 0.492 98.719 ( 1.085 -3.109 1.414) 3.584 98.781 ( 4.478 -3.021 1.396) 5.579 99.132 ( 1.362 3.800 4.018) 5.696 99.290 ( -0.654 3.984 8.663) 9.558 99.422 ( -4.930 -2.336 1.575) 5.678 100.226 ( -7.919 0.090 -14.564) 16.578 ======================= Grid point 179 (63/100) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.000 14.839 21.298) 25.957 1.566 ( 0.000 14.994 26.520) 30.465 2.402 ( 0.000 13.889 14.505) 20.082 2.903 ( -0.000 -1.012 4.287) 4.405 2.998 ( 0.000 9.195 4.405) 10.195 3.018 ( -0.000 -1.162 -16.052) 16.094 3.133 ( -0.000 -0.258 -4.177) 4.185 3.883 ( -0.000 -3.162 1.778) 3.628 3.902 ( -0.000 -4.065 -4.005) 5.707 3.960 ( -0.000 -0.379 -5.577) 5.590 4.250 ( 0.000 5.361 -4.212) 6.818 4.355 ( 0.000 3.612 1.342) 3.853 4.401 ( -0.000 -3.430 6.118) 7.014 4.509 ( 0.000 13.051 -4.444) 13.787 4.686 ( -0.000 -0.952 -6.975) 7.040 4.790 ( -0.000 -3.100 -4.573) 5.524 4.942 ( 0.000 0.540 10.269) 10.284 5.109 ( 0.000 1.350 -2.223) 2.601 5.195 ( 0.000 1.223 -3.017) 3.255 5.448 ( 0.000 4.370 -5.953) 7.384 6.372 ( -0.000 -13.793 -0.652) 13.808 6.593 ( -0.000 -18.627 -1.540) 18.691 6.798 ( 0.000 2.024 5.640) 5.992 7.105 ( 0.000 0.489 0.484) 0.688 7.359 ( -0.000 -4.939 6.595) 8.240 7.424 ( 0.000 2.550 12.411) 12.671 7.741 ( -0.000 -3.431 1.175) 3.626 8.010 ( 0.000 3.887 -9.414) 10.185 8.316 ( 0.000 9.432 7.326) 11.943 8.787 ( 0.000 6.784 5.384) 8.660 8.828 ( 0.000 9.675 -14.687) 17.587 9.512 ( 0.000 6.743 -11.138) 13.020 13.154 ( -0.000 -4.705 10.225) 11.255 13.834 ( 0.000 4.778 -17.046) 17.703 15.509 ( 0.000 6.649 9.122) 11.288 15.854 ( -0.000 -3.048 0.959) 3.196 15.990 ( 0.000 1.294 12.301) 12.368 16.899 ( 0.000 1.626 -15.586) 15.671 17.611 ( 0.000 6.631 7.240) 9.818 18.050 ( 0.000 6.407 -6.859) 9.386 18.564 ( -0.000 -0.974 9.778) 9.826 19.127 ( 0.000 1.832 -7.292) 7.518 19.640 ( -0.000 -3.694 19.318) 19.668 20.924 ( -0.000 -5.580 -19.062) 19.862 21.135 ( -0.000 -21.061 19.196) 28.497 21.990 ( -0.000 -3.116 -11.726) 12.133 23.668 ( -0.000 -5.003 3.614) 6.172 24.235 ( 0.000 20.567 -18.383) 27.585 47.095 ( -0.000 -9.135 10.892) 14.216 47.608 ( -0.000 -2.022 -9.375) 9.590 48.265 ( 0.000 3.067 6.537) 7.220 48.599 ( 0.000 3.483 -4.238) 5.485 97.945 ( -0.000 -0.141 0.322) 0.351 97.955 ( -0.000 -0.161 0.015) 0.162 98.770 ( -0.000 -2.530 1.516) 2.950 98.863 ( -0.000 -2.152 -0.692) 2.260 99.102 ( 0.000 2.865 3.205) 4.299 99.336 ( 0.000 2.822 -3.754) 4.697 99.337 ( -0.000 -8.719 17.716) 19.745 100.131 ( 0.000 4.129 -12.962) 13.604 ======================= Grid point 182 (64/100) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 25.788 -0.000 4.087) 26.109 1.901 ( 22.169 -0.000 14.102) 26.274 2.791 ( -1.923 0.000 -20.169) 20.260 2.799 ( -1.171 0.000 -1.585) 1.971 3.238 ( -4.650 0.000 1.511) 4.889 3.346 ( 10.071 -0.000 3.916) 10.805 3.375 ( 8.111 -0.000 -1.886) 8.327 3.751 ( -8.864 0.000 -4.704) 10.034 3.797 ( 23.703 -0.000 18.564) 30.107 3.817 ( -3.796 0.000 0.467) 3.824 3.904 ( -4.373 0.000 -0.627) 4.417 4.317 ( -3.695 0.000 2.380) 4.395 4.349 ( -11.382 0.000 3.339) 11.862 4.554 ( 0.712 -0.000 1.877) 2.008 4.765 ( -0.256 0.000 -6.370) 6.375 4.999 ( 5.049 -0.000 -8.371) 9.776 5.070 ( 3.796 -0.000 10.045) 10.738 5.191 ( 0.089 -0.000 2.607) 2.609 5.292 ( 5.011 -0.000 8.652) 9.998 5.679 ( 7.287 -0.000 -10.511) 12.790 6.204 ( -12.151 0.000 2.531) 12.411 6.588 ( -2.664 0.000 -1.300) 2.964 6.995 ( 0.153 -0.000 0.192) 0.245 7.190 ( -2.025 0.000 2.280) 3.049 7.434 ( -2.178 0.000 4.223) 4.752 7.478 ( 10.952 -0.000 -5.304) 12.169 8.006 ( 0.782 -0.000 0.700) 1.049 8.278 ( 8.600 -0.000 11.317) 14.214 8.617 ( 4.260 -0.000 8.527) 9.532 8.792 ( 1.601 -0.000 -13.633) 13.726 9.314 ( 18.961 -0.000 -12.588) 22.759 9.350 ( -1.750 0.000 -16.881) 16.971 13.096 ( -2.433 0.000 9.654) 9.956 13.639 ( -0.028 0.000 -9.018) 9.018 15.186 ( -0.458 0.000 10.544) 10.554 15.538 ( -1.587 0.000 -0.036) 1.587 17.147 ( 27.568 -0.000 10.773) 29.598 17.535 ( -16.112 0.000 1.716) 16.203 17.772 ( -16.062 0.000 -3.347) 16.407 17.974 ( 5.987 -0.000 14.261) 15.467 18.103 ( 16.846 -0.000 -14.278) 22.083 18.881 ( -0.014 0.000 -8.333) 8.333 19.464 ( 0.469 -0.000 9.738) 9.750 20.257 ( -16.527 0.000 -11.380) 20.066 21.001 ( -12.281 0.000 18.778) 22.438 21.991 ( -2.717 0.000 -14.131) 14.389 23.382 ( -4.150 0.000 11.426) 12.157 24.113 ( 6.624 -0.000 -11.651) 13.402 47.417 ( 7.170 -0.000 3.669) 8.054 47.468 ( -11.467 0.000 0.834) 11.497 48.236 ( -5.961 0.000 -0.080) 5.962 48.248 ( 10.116 -0.000 -0.224) 10.119 97.972 ( -0.447 0.000 0.984) 1.081 97.979 ( -0.056 0.000 0.630) 0.633 98.597 ( -3.970 0.000 2.171) 4.525 98.676 ( -2.203 0.000 -2.457) 3.300 99.216 ( 5.914 -0.000 4.744) 7.581 99.279 ( 5.689 -0.000 6.905) 8.947 99.756 ( -3.495 0.000 1.591) 3.840 100.523 ( -1.236 0.000 -21.194) 21.230 ======================= Grid point 183 (65/100) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 21.468 0.558 5.965) 22.288 2.285 ( 23.983 -5.360 4.683) 25.017 2.777 ( 1.671 0.108 -16.338) 16.424 2.809 ( -2.202 -4.159 1.946) 5.092 3.185 ( -0.490 1.621 -4.921) 5.204 3.405 ( 0.317 8.519 3.413) 9.183 3.493 ( 4.616 -3.874 0.503) 6.047 3.656 ( -6.809 -0.954 -3.335) 7.641 3.697 ( 0.338 3.961 0.606) 4.022 3.859 ( -3.132 -0.277 -2.751) 4.178 4.145 ( 9.435 -1.760 9.531) 13.526 4.192 ( -6.811 -1.882 5.331) 8.852 4.289 ( 2.750 -0.231 4.317) 5.124 4.560 ( 2.543 -0.024 3.721) 4.507 4.757 ( -1.948 -0.242 -3.225) 3.775 5.042 ( 1.900 -1.591 -8.247) 8.611 5.148 ( 3.968 -1.226 9.574) 10.436 5.240 ( 3.550 -2.478 5.282) 6.830 5.341 ( 3.107 1.688 9.522) 10.157 5.754 ( 4.236 3.072 -8.844) 10.275 6.004 ( -10.664 2.113 3.199) 11.333 6.542 ( -3.885 0.186 -4.485) 5.936 6.979 ( -0.812 1.526 2.884) 3.363 7.156 ( 0.324 2.718 0.056) 2.738 7.408 ( -1.196 -0.194 4.982) 5.127 7.584 ( 8.904 6.410 -4.197) 11.747 7.910 ( 1.911 10.759 -1.829) 11.080 8.501 ( 6.580 -9.961 16.405) 20.289 8.643 ( 1.295 0.625 8.356) 8.478 8.755 ( -4.215 2.032 -14.671) 15.399 9.317 ( -0.898 2.066 -17.041) 17.189 9.628 ( 20.489 -1.115 -14.658) 25.217 13.064 ( -1.151 0.531 9.402) 9.487 13.660 ( 0.233 -2.331 -10.589) 10.845 15.210 ( 1.135 -2.375 10.374) 10.703 15.533 ( 0.923 0.081 0.035) 0.927 17.201 ( -20.506 2.675 5.575) 21.418 17.467 ( -10.623 -3.368 -2.584) 11.439 17.630 ( 12.358 -4.306 8.720) 15.726 18.078 ( 7.391 -1.007 15.012) 16.763 18.388 ( 18.697 0.582 -12.835) 22.686 18.848 ( -4.618 0.301 -1.337) 4.817 19.567 ( 11.664 -1.708 -1.527) 11.887 20.021 ( -13.478 1.266 -9.861) 16.748 20.820 ( -10.342 1.169 18.320) 21.070 21.933 ( -5.331 -0.122 -17.697) 18.483 23.334 ( -4.379 -1.889 14.594) 15.354 24.217 ( 5.957 -1.196 -13.458) 14.766 47.283 ( -12.965 -0.143 3.181) 13.350 47.495 ( 2.889 0.041 -2.945) 4.126 48.187 ( -0.300 -0.093 4.626) 4.637 48.416 ( 11.799 0.078 -2.447) 12.050 97.964 ( -0.583 0.078 0.892) 1.068 97.973 ( -0.612 0.134 0.562) 0.842 98.550 ( -2.776 -0.459 1.772) 3.325 98.648 ( -1.114 0.311 -2.956) 3.174 99.298 ( 7.018 1.728 3.291) 7.941 99.367 ( 5.187 -0.199 6.985) 8.703 99.673 ( -4.509 2.622 2.463) 5.768 100.476 ( -5.304 -0.686 -17.832) 18.617 ======================= Grid point 184 (66/100) ======================= q-point: ( 0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 11.332 2.061 8.460) 14.291 2.645 ( 11.968 1.459 -4.898) 13.014 2.824 ( 3.362 -10.962 -2.905) 11.828 2.922 ( 8.169 0.746 -6.156) 10.256 3.113 ( -1.513 9.252 -2.699) 9.756 3.213 ( -4.145 6.209 2.538) 7.885 3.460 ( -1.403 9.380 3.625) 10.153 3.595 ( -5.392 0.135 -4.457) 6.997 3.736 ( 2.642 -6.112 1.433) 6.811 3.903 ( 1.572 -7.698 -2.802) 8.341 4.088 ( -2.296 0.014 4.121) 4.717 4.200 ( -4.270 -2.150 0.479) 4.804 4.368 ( 5.554 3.171 4.456) 7.795 4.670 ( 4.596 4.567 3.889) 7.557 4.726 ( 1.178 -4.453 0.595) 4.645 5.094 ( 0.317 -1.713 -7.597) 7.794 5.222 ( 4.658 1.416 9.632) 10.792 5.329 ( 0.152 2.661 10.175) 10.518 5.342 ( 3.388 -3.468 8.738) 9.993 5.677 ( -3.828 2.894 3.250) 5.796 5.919 ( 0.905 0.635 -7.811) 7.888 6.453 ( -5.570 2.989 -9.357) 11.292 6.932 ( -1.461 1.972 5.220) 5.768 7.122 ( 1.333 3.666 -1.019) 4.032 7.408 ( -0.851 -1.777 6.311) 6.612 7.534 ( 4.912 13.072 2.488) 14.184 7.826 ( 4.966 7.634 -7.749) 11.958 8.579 ( 0.908 3.073 7.172) 7.855 8.621 ( -6.893 4.121 -10.696) 13.376 8.765 ( -1.026 -11.780 14.056) 18.368 9.265 ( 0.989 4.594 -15.998) 16.674 9.906 ( 17.986 2.880 -15.506) 23.921 13.048 ( -0.229 0.217 9.283) 9.288 13.709 ( 0.725 -3.221 -12.713) 13.135 15.284 ( 2.485 -3.846 10.486) 11.442 15.564 ( 3.587 0.227 0.824) 3.688 16.845 ( -22.962 1.223 7.374) 24.148 17.268 ( -20.271 -6.769 -6.396) 22.308 17.967 ( 18.848 -2.731 11.624) 22.312 18.181 ( 5.015 0.640 11.720) 12.764 18.569 ( 7.900 4.650 -6.044) 10.980 18.808 ( 1.852 -2.230 0.839) 3.018 19.713 ( -0.007 3.882 -6.851) 7.874 19.947 ( 8.490 -5.386 -9.796) 14.038 20.676 ( -8.128 -0.337 16.860) 18.720 21.845 ( -7.641 -1.432 -20.448) 21.875 23.312 ( -3.433 -3.121 17.588) 18.189 24.323 ( 5.599 -1.779 -14.856) 15.975 47.104 ( -11.940 -0.806 4.916) 12.938 47.502 ( -2.234 -0.873 -8.283) 8.624 48.224 ( 5.062 0.534 8.345) 9.774 48.576 ( 10.874 1.214 -3.615) 11.524 97.954 ( -0.589 0.040 0.615) 0.852 97.960 ( -0.779 0.040 0.441) 0.896 98.534 ( -1.411 -1.613 1.523) 2.629 98.638 ( 0.312 0.153 -2.722) 2.744 99.370 ( 6.943 2.681 2.160) 7.750 99.417 ( 3.833 2.975 3.502) 5.984 99.565 ( -4.712 2.136 5.987) 7.912 100.396 ( -7.698 -1.496 -14.900) 16.837 ======================= Grid point 185 (67/100) ======================= q-point: (-0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 4.925 7.899 6.237) 11.205 2.711 ( 2.644 -1.123 -2.690) 3.935 2.785 ( -3.550 19.081 -0.802) 19.425 2.871 ( -2.951 6.670 -2.046) 7.575 3.109 ( -5.448 -0.192 -2.266) 5.904 3.201 ( 5.832 -6.128 -2.739) 8.892 3.416 ( 7.505 1.622 -0.497) 7.694 3.485 ( 2.265 2.537 -3.019) 4.547 3.908 ( -2.256 -8.721 3.474) 9.655 3.981 ( -2.322 -5.615 2.734) 6.663 4.135 ( 0.318 -3.769 3.458) 5.125 4.196 ( 5.875 -1.276 -1.266) 6.144 4.382 ( 2.691 5.957 6.439) 9.175 4.554 ( -2.164 5.540 -1.375) 6.104 4.811 ( 1.136 1.235 2.422) 2.947 5.075 ( -2.578 1.850 -5.546) 6.390 5.185 ( -0.909 5.441 9.975) 11.399 5.255 ( -3.669 3.113 5.624) 7.401 5.431 ( 2.368 -1.680 8.565) 9.044 5.727 ( 7.028 -4.949 2.415) 8.928 5.956 ( 3.049 -1.368 -7.416) 8.134 6.280 ( -7.127 7.701 -13.562) 17.147 6.896 ( -0.575 0.562 6.409) 6.459 7.086 ( 0.667 3.058 -2.029) 3.730 7.407 ( 4.322 11.995 7.440) 14.761 7.431 ( -1.713 -3.653 7.119) 8.183 7.793 ( 5.076 7.723 -7.582) 11.954 8.437 ( -7.567 5.712 -9.412) 13.359 8.549 ( 0.077 1.696 2.468) 2.996 8.846 ( -7.086 -7.163 14.182) 17.397 9.227 ( 3.736 5.165 -12.686) 14.198 10.050 ( 12.395 8.367 -15.809) 21.762 13.049 ( 0.231 -0.173 9.524) 9.529 13.773 ( 1.281 -3.322 -14.901) 15.320 15.391 ( 3.641 -4.479 11.161) 12.565 15.633 ( 6.383 0.395 1.999) 6.700 16.503 ( -20.939 1.143 8.972) 22.809 17.092 ( -17.591 -7.253 -9.125) 21.102 18.123 ( -0.377 4.005 14.836) 15.372 18.281 ( 13.422 0.159 5.175) 14.386 18.526 ( -0.490 5.219 -3.364) 6.229 18.954 ( 8.468 -3.783 2.507) 9.608 19.597 ( -2.581 4.760 -2.776) 6.085 20.254 ( 15.384 -6.996 -13.617) 21.703 20.597 ( -5.790 -3.089 15.426) 16.764 21.768 ( -7.802 -4.202 -21.888) 23.614 23.327 ( -2.021 -4.404 19.536) 20.128 24.435 ( 5.626 -2.074 -16.368) 17.432 46.966 ( -8.973 -1.575 6.583) 11.240 47.476 ( -3.523 -2.127 -10.531) 11.306 48.296 ( 5.944 1.399 9.352) 11.169 48.691 ( 8.162 2.437 -4.202) 9.498 97.945 ( -0.585 -0.047 0.392) 0.706 97.951 ( -0.551 -0.173 0.237) 0.624 98.557 ( -0.158 -3.004 1.666) 3.439 98.655 ( 1.694 -0.590 -1.590) 2.397 99.364 ( 0.957 6.268 1.799) 6.591 99.435 ( 3.636 1.979 1.263) 4.328 99.487 ( -0.705 2.713 7.399) 7.912 100.296 ( -8.991 -1.781 -13.183) 16.057 ======================= Grid point 186 (68/100) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 3.426 14.084 8.504) 16.805 2.416 ( -3.126 23.142 2.879) 23.529 2.682 ( -2.454 7.908 -5.136) 9.743 2.787 ( -0.478 -3.009 -2.037) 3.665 3.029 ( -4.544 -1.109 -0.921) 4.767 3.190 ( -3.916 1.905 -9.063) 10.055 3.588 ( 7.717 -1.338 0.793) 7.872 3.634 ( 10.944 -4.277 -0.460) 11.759 3.872 ( -7.414 -2.590 2.185) 8.151 4.024 ( -3.533 -2.503 4.661) 6.362 4.169 ( -1.566 13.178 10.947) 17.203 4.249 ( 1.851 -5.801 4.083) 7.332 4.364 ( 6.941 -4.144 1.302) 8.188 4.551 ( 3.311 0.246 -1.801) 3.777 4.735 ( -4.518 3.490 -1.479) 5.897 4.985 ( -2.373 4.571 -5.404) 7.464 5.097 ( -1.582 4.829 9.515) 10.787 5.165 ( -2.174 1.401 2.793) 3.806 5.444 ( 1.226 3.452 1.927) 4.139 5.881 ( 3.707 1.873 -6.209) 7.470 6.013 ( -0.683 2.332 -5.758) 6.250 6.092 ( -1.892 -2.697 -6.763) 7.523 6.889 ( 0.356 1.041 4.699) 4.827 7.074 ( 0.510 -1.163 -2.041) 2.404 7.317 ( 3.735 8.477 9.727) 13.433 7.461 ( -2.591 -4.665 9.345) 10.761 7.741 ( 3.170 7.555 -3.499) 8.909 8.257 ( -4.475 5.734 -11.858) 13.911 8.527 ( 0.009 1.665 4.181) 4.500 8.807 ( -6.738 -3.259 9.234) 11.887 9.203 ( 2.536 5.373 -9.162) 10.920 10.021 ( 5.495 13.089 -15.092) 20.719 13.059 ( 0.296 -0.591 10.030) 10.052 13.838 ( 1.211 -2.673 -16.978) 17.230 15.514 ( 3.838 -4.306 11.956) 13.274 15.734 ( 8.127 0.790 2.722) 8.607 16.205 ( -16.238 1.539 10.677) 19.494 16.966 ( -11.295 -4.711 -11.980) 17.126 17.999 ( -2.164 8.001 10.934) 13.721 18.395 ( 1.246 6.010 -3.237) 6.939 18.473 ( 5.005 0.334 5.532) 7.468 19.114 ( 5.143 -3.046 1.052) 6.069 19.526 ( 0.012 2.163 5.176) 5.609 20.541 ( 8.894 -6.109 -12.640) 16.619 20.607 ( -2.319 -7.077 11.843) 13.990 21.757 ( -4.522 -6.994 -22.185) 23.697 23.382 ( -0.760 -5.763 19.641) 20.483 24.537 ( 4.384 -1.016 -18.348) 18.892 46.894 ( -4.672 -2.589 8.282) 9.855 47.473 ( -2.029 -3.231 -11.170) 11.804 48.344 ( 3.618 1.991 9.087) 9.981 48.740 ( 4.311 3.428 -4.441) 7.075 97.940 ( -0.356 -0.168 0.283) 0.485 97.948 ( -0.320 -0.239 0.053) 0.403 98.612 ( 0.409 -3.941 1.995) 4.436 98.704 ( 2.188 -1.917 0.110) 2.911 99.278 ( 0.121 5.567 2.563) 6.130 99.382 ( -3.822 2.829 11.340) 12.297 99.487 ( 5.189 4.782 -3.685) 7.961 100.196 ( -7.325 -1.645 -12.711) 14.763 ======================= Grid point 187 (69/100) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.000 24.523 6.558) 25.385 2.075 ( 0.000 17.492 14.993) 23.038 2.570 ( 0.000 3.885 -9.827) 10.567 2.832 ( -0.000 -3.425 -0.467) 3.457 3.015 ( -0.000 -0.847 -4.709) 4.785 3.130 ( 0.000 1.558 -7.945) 8.097 3.551 ( 0.000 16.701 14.119) 21.869 3.761 ( -0.000 -4.517 -0.102) 4.518 3.886 ( -0.000 -4.477 -2.877) 5.321 3.894 ( 0.000 7.718 10.859) 13.323 4.138 ( -0.000 -7.658 -1.615) 7.826 4.361 ( -0.000 -4.241 4.534) 6.209 4.509 ( -0.000 -6.575 1.260) 6.695 4.509 ( 0.000 6.846 4.281) 8.074 4.690 ( -0.000 -2.678 -7.615) 8.073 4.875 ( 0.000 8.230 -8.086) 11.537 5.003 ( 0.000 4.491 11.607) 12.445 5.149 ( 0.000 0.345 -0.660) 0.745 5.375 ( 0.000 7.027 -4.083) 8.127 5.710 ( 0.000 13.394 -11.208) 17.465 6.061 ( -0.000 -6.323 -2.448) 6.780 6.204 ( -0.000 -9.284 -0.502) 9.297 6.865 ( 0.000 2.305 3.489) 4.181 7.118 ( -0.000 -2.224 -4.444) 4.970 7.263 ( 0.000 2.442 13.981) 14.193 7.494 ( -0.000 -2.054 9.929) 10.140 7.673 ( 0.000 3.413 -0.548) 3.457 8.148 ( 0.000 5.146 -13.080) 14.056 8.494 ( 0.000 2.939 7.226) 7.801 8.787 ( -0.000 -1.686 5.838) 6.076 9.129 ( 0.000 7.212 -9.838) 12.198 9.850 ( 0.000 14.550 -13.410) 19.787 13.074 ( -0.000 -1.276 10.504) 10.581 13.878 ( -0.000 -1.151 -18.401) 18.437 15.603 ( -0.000 -2.070 11.354) 11.541 15.804 ( 0.000 0.815 2.116) 2.267 16.034 ( 0.000 1.551 13.110) 13.202 16.918 ( -0.000 -1.211 -13.956) 14.008 17.854 ( 0.000 9.009 9.071) 12.784 18.280 ( 0.000 8.250 -6.042) 10.226 18.531 ( -0.000 -1.025 8.420) 8.482 19.172 ( 0.000 0.144 -5.185) 5.187 19.531 ( -0.000 -2.171 14.544) 14.705 20.697 ( -0.000 -9.893 16.456) 19.200 20.723 ( -0.000 -7.240 -17.156) 18.622 21.835 ( -0.000 -7.230 -20.503) 21.740 23.471 ( -0.000 -6.896 16.574) 17.952 24.563 ( 0.000 3.040 -20.237) 20.464 46.909 ( -0.000 -4.051 9.798) 10.602 47.512 ( -0.000 -3.787 -11.024) 11.656 48.339 ( 0.000 2.249 8.374) 8.671 48.717 ( 0.000 4.021 -4.458) 6.004 97.940 ( -0.000 -0.186 0.263) 0.322 97.949 ( -0.000 -0.237 -0.007) 0.237 98.674 ( -0.000 -3.873 1.999) 4.359 98.764 ( -0.000 -3.409 1.188) 3.610 99.213 ( 0.000 4.384 3.094) 5.365 99.292 ( 0.000 3.157 13.102) 13.477 99.454 ( 0.000 4.966 -4.061) 6.416 100.156 ( -0.000 -1.030 -13.152) 13.192 ======================= Grid point 192 (70/100) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 11.761 -0.000 0.454) 11.769 2.539 ( 16.077 -0.000 5.454) 16.977 2.817 ( 5.761 -0.000 -11.352) 12.731 2.825 ( 8.023 -0.000 2.037) 8.277 3.231 ( 4.769 -0.000 -5.522) 7.296 3.443 ( -9.645 0.000 -6.097) 11.410 3.469 ( -0.822 0.000 2.454) 2.588 3.611 ( 6.977 -0.000 4.298) 8.195 3.728 ( -6.149 0.000 0.684) 6.187 3.764 ( -4.851 0.000 0.030) 4.851 4.085 ( -3.858 0.000 4.527) 5.948 4.153 ( -3.500 0.000 -0.147) 3.503 4.484 ( 14.886 -0.000 4.006) 15.415 4.560 ( 0.531 -0.000 1.625) 1.709 4.752 ( 0.982 -0.000 0.799) 1.266 5.067 ( 4.859 -0.000 -7.053) 8.565 5.221 ( 5.702 -0.000 13.699) 14.839 5.271 ( 3.715 -0.000 4.135) 5.559 5.386 ( 1.020 -0.000 10.166) 10.217 5.826 ( -13.002 0.000 8.493) 15.530 5.873 ( 5.781 -0.000 -11.450) 12.827 6.479 ( -4.925 0.000 -5.394) 7.304 6.951 ( -3.879 0.000 4.815) 6.183 7.189 ( 1.318 -0.000 -3.317) 3.569 7.394 ( -0.502 0.000 6.168) 6.189 7.748 ( 6.128 -0.000 -4.661) 7.700 8.019 ( 0.487 -0.000 -3.988) 4.018 8.491 ( 5.134 -0.000 19.213) 19.887 8.658 ( -0.577 0.000 7.250) 7.273 8.694 ( -6.631 0.000 -12.792) 14.409 9.338 ( 1.258 -0.000 -16.156) 16.205 9.939 ( 21.299 -0.000 -17.857) 27.795 13.054 ( -0.669 0.000 9.047) 9.072 13.651 ( 0.742 -0.000 -10.740) 10.766 15.219 ( 2.356 -0.000 10.817) 11.071 15.566 ( 3.533 -0.000 -0.184) 3.537 16.866 ( -24.049 0.000 5.807) 24.740 17.149 ( -21.494 0.000 -4.002) 21.864 17.919 ( 21.397 -0.000 11.287) 24.191 18.181 ( 6.962 -0.000 13.607) 15.285 18.657 ( 16.119 -0.000 -8.278) 18.120 18.762 ( -6.578 0.000 1.831) 6.828 19.783 ( 18.375 -0.000 -8.475) 20.235 19.854 ( -9.659 0.000 -8.360) 12.774 20.675 ( -9.781 0.000 16.726) 19.377 21.825 ( -8.991 0.000 -20.189) 22.100 23.263 ( -3.364 0.000 18.075) 18.385 24.290 ( 5.016 -0.000 -14.901) 15.722 47.093 ( -12.216 0.000 4.650) 13.071 47.488 ( -3.084 0.000 -8.561) 9.100 48.232 ( 5.752 -0.000 8.811) 10.522 48.594 ( 11.519 -0.000 -3.548) 12.053 97.955 ( -0.636 0.000 0.670) 0.924 97.962 ( -0.964 0.000 0.443) 1.061 98.509 ( -2.128 0.000 2.050) 2.954 98.641 ( -0.130 0.000 -3.339) 3.342 99.428 ( 8.245 -0.000 1.406) 8.364 99.439 ( 4.663 -0.000 9.175) 10.291 99.616 ( -5.487 0.000 0.658) 5.526 100.369 ( -8.041 0.000 -15.442) 17.410 ======================= Grid point 193 (71/100) ======================= q-point: ( 0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 3.953 1.180 3.110) 5.167 2.706 ( 0.467 -2.727 -4.828) 5.565 2.902 ( 13.091 2.034 -1.423) 13.324 3.023 ( 5.992 -2.743 -3.962) 7.690 3.250 ( 3.861 7.182 -4.092) 9.123 3.274 ( -3.182 8.180 -0.421) 8.788 3.520 ( -2.026 -5.867 2.907) 6.854 3.539 ( -2.082 6.050 3.510) 7.298 3.686 ( -0.377 0.194 3.261) 3.288 3.805 ( 1.678 -7.532 -0.397) 7.727 4.053 ( -2.793 -0.629 2.224) 3.625 4.107 ( -3.380 -2.740 0.040) 4.351 4.532 ( 6.538 4.954 -0.735) 8.236 4.676 ( 0.885 -0.966 -4.486) 4.673 4.785 ( 4.693 -0.966 5.124) 7.015 5.141 ( 4.352 2.247 -7.667) 9.097 5.304 ( 3.473 -0.098 15.396) 15.783 5.353 ( 5.551 -0.940 6.465) 8.573 5.362 ( -1.542 2.810 9.873) 10.380 5.641 ( -5.528 0.268 8.605) 10.231 5.955 ( 3.946 -0.314 -9.542) 10.331 6.391 ( -6.297 1.075 -8.254) 10.437 6.885 ( -5.132 -0.768 6.284) 8.150 7.191 ( 1.407 2.570 -4.684) 5.525 7.389 ( -0.193 0.033 8.311) 8.314 7.752 ( 2.405 7.721 0.325) 8.093 7.987 ( 3.016 5.179 -8.588) 10.472 8.535 ( -7.448 0.101 -16.696) 18.282 8.619 ( 0.935 0.092 13.297) 13.330 8.647 ( -0.732 -2.068 14.950) 15.110 9.347 ( 2.332 2.428 -13.424) 13.840 10.208 ( 16.490 2.510 -19.244) 25.467 13.047 ( -0.168 0.004 8.907) 8.909 13.679 ( 0.820 -2.193 -12.030) 12.256 15.276 ( 2.828 -2.453 11.497) 12.091 15.638 ( 6.332 0.043 0.116) 6.334 16.526 ( -21.318 0.440 6.940) 22.423 16.889 ( -17.967 -4.758 -4.697) 19.171 18.181 ( 11.329 0.817 13.706) 17.801 18.273 ( 6.802 -0.796 9.553) 11.754 18.653 ( -3.386 2.960 0.250) 4.504 18.873 ( 10.191 -1.639 -1.060) 10.376 19.726 ( -3.954 3.043 -6.861) 8.483 20.093 ( 18.398 -3.365 -12.908) 22.725 20.549 ( -7.574 -0.617 14.527) 16.395 21.682 ( -11.107 -1.478 -21.643) 24.372 23.235 ( -2.141 -1.676 20.571) 20.750 24.366 ( 3.808 -1.673 -15.936) 16.470 46.936 ( -9.261 -0.488 5.752) 10.913 47.433 ( -4.416 -0.773 -10.910) 11.795 48.326 ( 6.562 0.538 10.036) 12.003 48.740 ( 8.756 0.828 -4.191) 9.743 97.946 ( -0.643 0.048 0.355) 0.736 97.948 ( -0.758 -0.076 0.296) 0.817 98.492 ( -1.191 -1.179 2.288) 2.836 98.646 ( 0.762 -0.125 -3.100) 3.195 99.480 ( 1.382 1.033 9.850) 10.000 99.519 ( -0.230 3.315 -0.362) 3.343 99.549 ( 5.560 1.022 -0.403) 5.668 100.250 ( -9.052 -1.066 -12.643) 15.586 ======================= Grid point 194 (72/100) ======================= q-point: (-0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 1.854 1.725 3.183) 4.068 2.727 ( 0.750 -0.598 -4.120) 4.230 2.969 ( 2.562 6.497 -2.314) 7.357 3.007 ( -1.307 11.439 -2.339) 11.749 3.079 ( -2.639 9.698 -1.381) 10.145 3.199 ( -1.150 1.317 -4.912) 5.214 3.515 ( 4.087 -2.482 2.799) 5.540 3.584 ( 5.376 -1.575 2.893) 6.305 3.743 ( -0.214 -3.464 3.808) 5.152 3.898 ( -1.610 -2.803 -1.048) 3.398 4.028 ( -3.568 -6.539 5.644) 9.346 4.184 ( 2.239 -7.032 0.399) 7.391 4.559 ( 5.315 7.130 1.159) 8.968 4.636 ( 2.784 4.517 -3.889) 6.579 4.817 ( -2.847 1.332 1.829) 3.637 5.121 ( 0.836 4.567 -7.878) 9.144 5.244 ( -1.819 5.424 10.454) 11.917 5.276 ( -2.190 5.051 13.754) 14.815 5.427 ( 2.035 -2.205 10.495) 10.915 5.749 ( 7.028 -7.226 1.816) 10.242 6.001 ( 2.798 0.542 -8.266) 8.743 6.255 ( -6.748 4.271 -11.451) 13.961 6.846 ( -3.038 -2.713 7.197) 8.269 7.154 ( 0.644 4.388 -5.138) 6.787 7.386 ( -0.471 -0.372 10.092) 10.110 7.634 ( 1.805 11.181 3.610) 11.887 7.958 ( 3.063 5.870 -8.188) 10.530 8.400 ( -5.561 3.484 -17.442) 18.636 8.585 ( -0.237 2.324 4.058) 4.682 8.696 ( -2.028 -3.684 20.793) 21.214 9.336 ( 2.063 3.621 -10.209) 11.027 10.325 ( 8.375 7.006 -19.425) 22.283 13.048 ( 0.076 -0.208 9.121) 9.124 13.735 ( 0.664 -3.616 -13.849) 14.329 15.368 ( 2.305 -4.538 12.429) 13.431 15.749 ( 8.528 0.136 0.238) 8.532 16.237 ( -16.388 0.674 8.961) 18.690 16.768 ( -10.572 -7.396 -6.941) 14.651 18.189 ( 0.107 5.037 13.911) 14.796 18.426 ( 6.994 -2.079 7.141) 10.209 18.572 ( -1.089 3.900 -2.341) 4.678 19.017 ( 5.587 -2.330 5.024) 7.866 19.640 ( -0.855 4.182 -4.741) 6.380 20.385 ( 12.398 -3.965 -15.417) 20.177 20.481 ( -4.105 -2.190 12.870) 13.686 21.575 ( -8.277 -4.696 -22.291) 24.237 23.248 ( -0.990 -3.193 22.032) 22.284 24.452 ( 2.534 -3.423 -16.979) 17.505 46.842 ( -4.942 -1.104 6.749) 8.438 47.397 ( -2.678 -1.818 -11.658) 12.099 48.392 ( 3.913 1.219 10.011) 10.817 48.819 ( 4.638 1.863 -4.505) 6.729 97.937 ( -0.451 -0.055 0.219) 0.504 97.942 ( -0.318 -0.148 0.075) 0.359 98.510 ( -0.323 -2.643 2.524) 3.668 98.666 ( 1.048 -0.735 -2.196) 2.542 99.413 ( -3.158 2.924 3.058) 5.279 99.486 ( 1.489 4.007 7.978) 9.051 99.620 ( 6.619 3.603 -3.783) 8.433 100.143 ( -7.560 -1.716 -10.665) 13.185 ======================= Grid point 195 (73/100) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.000 6.953 5.322) 8.756 2.722 ( 0.000 20.973 0.554) 20.980 2.750 ( -0.000 -1.595 -3.613) 3.950 2.832 ( 0.000 13.796 -3.887) 14.333 2.981 ( 0.000 0.138 -0.770) 0.782 3.178 ( 0.000 0.393 -7.234) 7.245 3.651 ( -0.000 -4.427 2.028) 4.869 3.662 ( -0.000 -3.122 3.346) 4.576 3.773 ( -0.000 -0.913 0.489) 1.036 3.887 ( -0.000 -5.229 -1.216) 5.369 4.141 ( -0.000 -8.945 6.698) 11.175 4.317 ( -0.000 -7.502 1.029) 7.572 4.406 ( 0.000 15.700 7.875) 17.564 4.684 ( 0.000 2.184 -8.180) 8.467 4.690 ( 0.000 4.378 4.314) 6.146 5.049 ( 0.000 5.542 -6.636) 8.646 5.171 ( 0.000 2.929 6.715) 7.327 5.171 ( 0.000 5.860 13.390) 14.616 5.470 ( -0.000 -1.003 7.546) 7.612 5.917 ( -0.000 -5.956 -1.955) 6.269 6.032 ( -0.000 -1.743 -6.419) 6.651 6.087 ( 0.000 9.574 -13.324) 16.407 6.874 ( -0.000 -3.076 6.422) 7.121 7.093 ( 0.000 3.605 -4.115) 5.471 7.396 ( -0.000 -1.935 10.306) 10.486 7.488 ( 0.000 10.665 6.684) 12.586 7.882 ( 0.000 7.739 -4.433) 8.919 8.296 ( 0.000 4.590 -16.555) 17.179 8.555 ( 0.000 1.825 3.541) 3.983 8.715 ( -0.000 -2.618 15.852) 16.066 9.294 ( 0.000 4.398 -8.584) 9.645 10.249 ( 0.000 11.190 -18.037) 21.226 13.054 ( -0.000 -0.384 9.590) 9.598 13.797 ( -0.000 -3.823 -15.719) 16.177 15.464 ( -0.000 -5.661 12.898) 14.086 15.837 ( 0.000 0.584 -1.153) 1.292 16.073 ( 0.000 1.014 12.671) 12.712 16.796 ( -0.000 -6.840 -9.799) 11.951 18.095 ( 0.000 6.930 12.368) 14.177 18.490 ( 0.000 5.061 -2.263) 5.544 18.506 ( -0.000 -0.491 4.762) 4.787 19.104 ( -0.000 -3.510 5.926) 6.887 19.572 ( 0.000 4.053 -0.637) 4.103 20.498 ( -0.000 -4.198 13.098) 13.754 20.541 ( -0.000 -4.706 -16.223) 16.892 21.605 ( -0.000 -7.482 -22.862) 24.055 23.299 ( -0.000 -4.624 22.137) 22.615 24.528 ( -0.000 -3.732 -18.059) 18.441 46.827 ( -0.000 -1.820 7.653) 7.867 47.412 ( -0.000 -2.780 -11.723) 12.048 48.399 ( 0.000 1.750 9.652) 9.809 48.819 ( 0.000 2.789 -4.573) 5.356 97.935 ( -0.000 -0.135 0.196) 0.238 97.943 ( -0.000 -0.199 -0.011) 0.200 98.556 ( -0.000 -3.742 2.543) 4.524 98.693 ( -0.000 -1.552 -0.946) 1.817 99.339 ( 0.000 3.811 3.248) 5.007 99.426 ( 0.000 5.077 9.196) 10.504 99.609 ( 0.000 5.124 -4.816) 7.032 100.108 ( -0.000 -1.977 -10.840) 11.019 ======================= Grid point 202 (74/100) ======================= q-point: ( 0.44 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 0.631 -0.000 1.679) 1.793 2.711 ( 1.377 -0.000 -4.628) 4.828 2.999 ( -0.398 0.000 -1.062) 1.135 3.115 ( 8.096 -0.000 -6.161) 10.174 3.343 ( 0.589 -0.000 3.249) 3.302 3.344 ( -2.558 0.000 -3.143) 4.052 3.417 ( -0.161 0.000 0.285) 0.327 3.575 ( -1.101 0.000 4.660) 4.788 3.728 ( 4.926 -0.000 7.732) 9.168 3.765 ( 3.750 -0.000 -1.142) 3.920 3.994 ( -7.014 0.000 -0.620) 7.042 4.028 ( -0.983 0.000 2.243) 2.449 4.640 ( 4.884 -0.000 -1.167) 5.022 4.750 ( 5.051 -0.000 -6.045) 7.878 4.792 ( -0.824 0.000 4.683) 4.755 5.206 ( 0.998 -0.000 -8.636) 8.694 5.333 ( 0.888 -0.000 17.036) 17.060 5.352 ( -2.739 0.000 7.507) 7.991 5.492 ( 9.696 -0.000 1.816) 9.865 5.543 ( -3.605 0.000 13.038) 13.527 6.011 ( 3.064 -0.000 -7.386) 7.996 6.310 ( -5.392 0.000 -8.659) 10.200 6.798 ( -4.614 0.000 7.640) 8.925 7.228 ( 0.873 -0.000 -6.447) 6.506 7.391 ( 0.084 -0.000 10.327) 10.327 7.824 ( 0.241 -0.000 0.086) 0.256 8.052 ( 1.177 -0.000 -10.115) 10.183 8.447 ( -4.645 0.000 -18.853) 19.417 8.628 ( -0.831 0.000 4.614) 4.688 8.635 ( 1.395 -0.000 24.704) 24.743 9.395 ( 1.606 -0.000 -10.921) 11.038 10.427 ( 9.621 -0.000 -21.096) 23.187 13.045 ( -0.060 0.000 8.669) 8.669 13.673 ( 0.507 -0.000 -12.075) 12.085 15.294 ( 1.998 -0.000 12.445) 12.604 15.749 ( 8.421 -0.000 -1.122) 8.496 16.248 ( -16.372 0.000 7.986) 18.216 16.638 ( -10.550 0.000 -4.068) 11.307 18.310 ( 1.757 -0.000 10.035) 10.188 18.336 ( 5.756 -0.000 14.183) 15.306 18.636 ( -0.792 0.000 -1.077) 1.336 18.987 ( 5.842 -0.000 2.767) 6.464 19.710 ( -1.177 0.000 -6.858) 6.959 20.325 ( 14.316 -0.000 -15.579) 21.158 20.451 ( -4.569 0.000 12.219) 13.045 21.504 ( -10.073 0.000 -21.592) 23.826 23.200 ( -0.958 0.000 22.002) 22.023 24.393 ( 1.845 -0.000 -16.429) 16.532 46.826 ( -5.007 0.000 6.252) 8.010 47.370 ( -2.875 0.000 -11.782) 12.128 48.411 ( 4.028 -0.000 10.302) 11.061 48.847 ( 4.782 -0.000 -4.511) 6.574 97.936 ( -0.554 0.000 0.190) 0.586 97.940 ( -0.303 0.000 0.098) 0.319 98.469 ( -0.628 0.000 2.731) 2.803 98.656 ( 0.697 -0.000 -3.116) 3.193 99.454 ( -2.885 0.000 4.635) 5.460 99.558 ( 1.543 -0.000 5.260) 5.482 99.675 ( 7.443 -0.000 -3.837) 8.374 100.113 ( -7.803 0.000 -9.759) 12.495 ======================= Grid point 203 (75/100) ======================= q-point: (-0.44 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -0.000 -0.408 1.667) 1.716 2.724 ( -0.000 -0.460 -4.312) 4.336 2.993 ( -0.000 -0.310 -1.098) 1.141 3.190 ( 0.000 0.700 -8.121) 8.151 3.191 ( 0.000 10.328 -0.333) 10.333 3.283 ( 0.000 13.663 -1.777) 13.778 3.437 ( -0.000 -7.018 3.542) 7.861 3.584 ( -0.000 -1.323 6.397) 6.533 3.818 ( 0.000 1.837 2.079) 2.774 3.845 ( -0.000 -5.496 -0.321) 5.505 3.885 ( -0.000 -1.098 5.051) 5.169 4.088 ( -0.000 -7.133 1.330) 7.256 4.668 ( 0.000 3.488 -2.078) 4.060 4.760 ( 0.000 0.856 4.738) 4.815 4.779 ( 0.000 2.196 -5.694) 6.103 5.188 ( 0.000 2.972 -9.012) 9.490 5.302 ( 0.000 3.285 7.801) 8.465 5.313 ( 0.000 2.969 17.097) 17.352 5.453 ( 0.000 3.607 12.497) 13.007 5.684 ( -0.000 -9.212 0.361) 9.219 6.031 ( 0.000 0.424 -6.757) 6.770 6.249 ( 0.000 2.225 -9.398) 9.658 6.777 ( -0.000 -2.154 8.030) 8.314 7.214 ( 0.000 2.722 -6.615) 7.153 7.388 ( 0.000 0.493 11.037) 11.048 7.776 ( 0.000 6.477 1.290) 6.605 8.042 ( 0.000 2.652 -9.780) 10.133 8.397 ( 0.000 1.920 -19.531) 19.625 8.610 ( 0.000 1.503 3.746) 4.037 8.655 ( -0.000 -1.214 24.425) 24.455 9.392 ( 0.000 1.990 -9.641) 9.845 10.471 ( 0.000 3.784 -21.206) 21.541 13.046 ( -0.000 -0.147 8.754) 8.756 13.694 ( -0.000 -2.318 -12.765) 12.974 15.330 ( -0.000 -2.691 12.923) 13.201 15.841 ( -0.000 -0.098 -3.775) 3.776 16.095 ( 0.000 0.454 11.435) 11.444 16.595 ( -0.000 -4.826 -4.997) 6.946 18.267 ( 0.000 5.030 12.602) 13.569 18.422 ( -0.000 -4.116 10.741) 11.502 18.617 ( 0.000 2.407 -2.371) 3.379 19.037 ( -0.000 -0.918 5.653) 5.727 19.685 ( 0.000 2.481 -6.333) 6.801 20.424 ( -0.000 -1.091 11.448) 11.500 20.452 ( -0.000 -1.463 -16.562) 16.626 21.442 ( -0.000 -3.024 -21.589) 21.800 23.205 ( -0.000 -1.634 22.510) 22.569 24.425 ( -0.000 -2.302 -16.786) 16.943 46.793 ( -0.000 -0.552 6.586) 6.609 47.356 ( -0.000 -0.975 -11.968) 12.008 48.436 ( 0.000 0.669 10.227) 10.249 48.875 ( 0.000 0.984 -4.610) 4.714 97.932 ( -0.000 -0.046 0.153) 0.160 97.938 ( -0.000 -0.077 -0.003) 0.077 98.476 ( -0.000 -1.482 2.840) 3.204 98.665 ( -0.000 -0.434 -2.765) 2.799 99.420 ( 0.000 1.499 3.527) 3.832 99.550 ( 0.000 2.642 6.683) 7.186 99.724 ( 0.000 2.234 -5.573) 6.004 100.055 ( -0.000 -1.284 -8.352) 8.450 ======================= Grid point 243 (76/100) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.000 0.000 28.611) 28.611 1.950 ( 0.000 0.000 32.291) 32.291 2.286 ( 0.000 0.000 -17.811) 17.811 2.542 ( 0.000 0.000 -29.856) 29.856 3.013 ( 0.000 0.000 4.639) 4.639 3.083 ( 0.000 0.000 -2.496) 2.496 3.146 ( 0.000 0.000 33.897) 33.897 3.739 ( 0.000 0.000 -22.738) 22.738 3.874 ( 0.000 0.000 -1.861) 1.861 3.884 ( 0.000 0.000 -2.705) 2.705 4.156 ( 0.000 0.000 5.779) 5.779 4.271 ( 0.000 0.000 2.538) 2.538 4.313 ( 0.000 0.000 -13.259) 13.259 4.325 ( 0.000 0.000 -2.726) 2.726 4.583 ( 0.000 0.000 7.003) 7.003 4.727 ( 0.000 0.000 -7.562) 7.562 5.121 ( 0.000 0.000 9.030) 9.030 5.193 ( 0.000 0.000 5.880) 5.880 5.251 ( 0.000 0.000 -0.579) 0.579 5.276 ( 0.000 0.000 -7.237) 7.237 6.666 ( 0.000 0.000 4.232) 4.232 6.816 ( 0.000 0.000 -10.741) 10.741 6.915 ( 0.000 0.000 7.910) 7.910 7.050 ( 0.000 0.000 -5.703) 5.703 7.585 ( 0.000 0.000 9.713) 9.713 7.691 ( 0.000 0.000 11.147) 11.147 7.778 ( 0.000 0.000 -9.875) 9.875 7.879 ( 0.000 0.000 -7.567) 7.567 8.136 ( 0.000 0.000 0.755) 0.755 8.141 ( 0.000 0.000 -0.365) 0.365 8.981 ( 0.000 0.000 10.843) 10.843 9.207 ( 0.000 0.000 -12.400) 12.400 13.405 ( 0.000 0.000 5.822) 5.822 13.527 ( 0.000 0.000 -6.901) 6.901 15.586 ( 0.000 0.000 10.909) 10.909 15.774 ( 0.000 0.000 -8.695) 8.695 16.232 ( 0.000 0.000 15.612) 15.612 16.548 ( 0.000 0.000 -17.208) 17.208 17.650 ( 0.000 0.000 8.010) 8.010 17.804 ( 0.000 0.000 -8.044) 8.044 18.774 ( 0.000 0.000 10.084) 10.084 18.954 ( 0.000 0.000 -8.650) 8.650 20.117 ( 0.000 0.000 23.929) 23.929 20.583 ( 0.000 0.000 -24.315) 24.315 21.797 ( 0.000 0.000 5.142) 5.142 21.906 ( 0.000 0.000 -6.183) 6.183 23.637 ( 0.000 0.000 6.949) 6.949 23.762 ( 0.000 0.000 -5.991) 5.991 47.411 ( 0.000 0.000 4.267) 4.267 47.500 ( 0.000 0.000 -5.073) 5.073 48.325 ( 0.000 0.000 6.988) 6.988 48.448 ( 0.000 0.000 -5.886) 5.886 97.953 ( 0.000 0.000 0.282) 0.282 97.957 ( 0.000 0.000 -0.115) 0.115 98.835 ( 0.000 0.000 1.355) 1.355 98.860 ( 0.000 0.000 -1.324) 1.324 99.131 ( 0.000 0.000 4.270) 4.270 99.215 ( 0.000 0.000 -4.451) 4.451 99.806 ( 0.000 0.000 0.767) 0.767 99.817 ( 0.000 0.000 -0.421) 0.421 ======================= Grid point 244 (77/100) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -2.844 0.462 25.759) 25.919 1.915 ( -5.970 -6.462 24.990) 26.493 2.332 ( 5.514 2.668 -15.592) 16.753 2.548 ( -0.433 -3.846 -26.807) 27.085 3.041 ( 4.059 0.293 4.356) 5.961 3.098 ( 2.134 -0.675 -0.152) 2.243 3.324 ( 11.081 -9.892 30.364) 33.802 3.810 ( 2.378 -3.269 -14.716) 15.261 3.874 ( -1.090 1.535 -0.703) 2.009 3.887 ( 1.093 1.226 -2.136) 2.695 4.070 ( -8.386 -4.594 4.438) 10.542 4.257 ( -2.327 -3.268 -15.056) 15.581 4.409 ( 9.927 -0.571 -0.251) 9.947 4.428 ( 7.817 -0.325 -2.645) 8.259 4.579 ( -1.807 -1.305 6.338) 6.718 4.711 ( -3.187 -0.726 -6.758) 7.507 5.141 ( 2.128 -0.556 8.772) 9.043 5.184 ( 1.842 2.360 4.925) 5.763 5.218 ( 0.178 3.037 -0.114) 3.045 5.310 ( 2.966 -1.064 -7.417) 8.058 6.554 ( -3.269 9.823 4.098) 11.134 6.687 ( -3.623 10.519 -8.546) 14.029 6.919 ( 0.590 -0.033 6.223) 6.251 7.045 ( 0.021 -0.123 -6.069) 6.071 7.523 ( -5.325 3.674 8.767) 10.896 7.606 ( -4.673 3.616 3.176) 6.708 7.862 ( 7.058 0.699 -1.161) 7.187 7.894 ( 10.075 1.384 -2.085) 10.381 8.269 ( 5.736 -9.585 2.354) 11.416 8.368 ( 5.395 -14.546 -7.882) 17.402 8.987 ( 0.708 -1.208 10.509) 10.602 9.210 ( -1.249 -2.127 -12.407) 12.650 13.372 ( -1.526 2.131 8.014) 8.432 13.533 ( -1.079 -1.410 -9.090) 9.262 15.566 ( -5.414 -3.218 9.934) 11.762 15.728 ( -6.601 -1.412 -6.738) 9.537 16.359 ( 14.874 -1.153 15.793) 21.726 16.684 ( 15.690 -0.957 -18.096) 23.970 17.699 ( 2.716 -3.767 7.932) 9.192 17.850 ( 2.308 -3.683 -7.825) 8.951 18.716 ( -7.264 0.280 10.574) 12.832 18.909 ( -6.113 -0.477 -9.481) 11.291 20.067 ( -4.602 2.143 23.237) 23.785 20.515 ( -6.578 2.523 -23.143) 24.191 21.661 ( -3.774 11.585 10.593) 16.145 21.850 ( -1.460 5.393 -9.503) 11.024 23.695 ( -1.394 -6.136 5.309) 8.233 23.810 ( 0.428 -6.304 -6.463) 9.039 47.371 ( 0.505 4.524 6.673) 8.077 47.494 ( 1.114 2.037 -6.486) 6.889 48.321 ( -3.001 -2.340 6.615) 7.631 48.439 ( -3.290 -1.962 -5.641) 6.818 97.959 ( 0.747 0.128 0.318) 0.822 97.963 ( 0.774 0.149 -0.113) 0.797 98.804 ( -2.850 0.902 1.168) 3.210 98.827 ( -3.621 0.698 -1.209) 3.881 99.156 ( 1.772 -0.544 4.084) 4.485 99.217 ( -0.444 -1.539 -1.660) 2.307 99.764 ( 4.379 5.818 6.542) 9.789 99.913 ( 5.846 -2.446 -9.243) 11.206 ======================= Grid point 245 (78/100) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.551 -7.844 17.709) 19.377 1.977 ( -0.145 -7.457 10.423) 12.817 2.391 ( 4.924 -2.536 -4.889) 7.388 2.659 ( 3.865 -6.725 -22.889) 24.167 3.113 ( 6.984 1.696 4.395) 8.425 3.162 ( 5.435 -0.022 0.233) 5.440 3.626 ( 6.154 -5.913 16.794) 18.838 3.752 ( -8.096 3.445 4.244) 9.769 3.832 ( -2.381 2.833 -4.290) 5.666 3.861 ( -2.461 -2.936 -3.485) 5.179 4.091 ( -0.931 -8.251 8.899) 12.171 4.353 ( 2.049 -4.650 -11.105) 12.212 4.491 ( 4.628 3.617 3.515) 6.845 4.553 ( 5.347 -0.020 -2.858) 6.063 4.606 ( 0.295 -4.996 -2.357) 5.532 4.656 ( -1.018 -0.656 -6.877) 6.983 5.179 ( 2.774 2.068 2.987) 4.571 5.198 ( 2.790 1.173 0.244) 3.036 5.225 ( 4.782 -2.671 9.289) 10.784 5.403 ( 4.637 -4.148 -8.716) 10.709 6.340 ( -4.130 11.273 4.204) 12.720 6.471 ( -1.971 12.638 -8.509) 15.362 6.936 ( 1.486 0.034 6.069) 6.249 7.056 ( 1.680 0.679 -6.172) 6.432 7.374 ( -5.767 3.964 8.787) 11.233 7.486 ( -4.770 2.788 -2.283) 5.978 7.922 ( 4.423 2.032 10.625) 11.687 8.090 ( 14.079 -0.759 -5.103) 14.994 8.480 ( 5.364 -5.926 1.366) 8.109 8.568 ( 0.226 -5.937 -9.984) 11.618 9.077 ( 4.257 -6.089 7.117) 10.288 9.250 ( -1.593 -6.370 -10.513) 12.395 13.317 ( -1.747 1.679 10.628) 10.901 13.529 ( -1.747 -0.956 -11.861) 12.027 15.533 ( -5.870 -3.731 8.073) 10.656 15.649 ( -6.669 -1.522 -3.782) 7.817 16.659 ( 21.954 -1.420 15.540) 26.935 16.979 ( 21.594 -0.373 -17.854) 28.021 17.830 ( 3.785 -6.817 7.321) 10.695 17.965 ( 2.201 -6.572 -6.929) 9.800 18.570 ( -11.454 -0.063 12.643) 17.060 18.811 ( -8.275 -1.639 -12.331) 14.940 19.927 ( -7.901 3.806 21.068) 22.821 20.327 ( -11.243 4.582 -20.213) 23.579 21.432 ( -2.662 11.470 16.747) 20.472 21.736 ( -0.976 6.819 -15.164) 16.655 23.734 ( -2.497 -3.435 8.686) 9.668 23.920 ( -1.497 -7.884 -10.679) 13.358 47.330 ( 3.646 4.590 8.349) 10.201 47.479 ( 2.218 3.168 -7.462) 8.405 48.302 ( -4.744 -2.872 5.965) 8.144 48.408 ( -5.808 -2.983 -5.098) 8.283 97.968 ( 0.856 0.333 0.341) 0.979 97.971 ( 0.780 0.357 0.003) 0.858 98.736 ( -3.787 1.441 0.517) 4.084 98.745 ( -4.914 1.385 -0.248) 5.111 99.181 ( 1.280 -0.278 4.644) 4.825 99.251 ( 1.200 -1.308 -2.013) 2.684 99.769 ( 5.291 3.240 11.975) 13.486 100.037 ( 7.281 -0.729 -15.881) 17.486 ======================= Grid point 246 (79/100) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 6.616 -11.927 8.543) 16.094 2.131 ( 4.748 -8.718 0.656) 9.949 2.566 ( 6.822 -8.797 5.305) 12.332 2.832 ( 4.528 -7.372 -17.592) 19.605 3.166 ( 5.337 4.294 6.007) 9.110 3.234 ( 5.110 2.156 0.413) 5.562 3.511 ( -7.645 10.052 2.753) 12.925 3.566 ( -5.898 9.267 -2.671) 11.305 3.812 ( -5.807 -7.331 1.609) 9.490 3.884 ( -5.465 -6.279 -4.871) 9.644 4.230 ( 2.983 -2.750 11.702) 12.386 4.371 ( -2.429 1.264 -3.304) 4.291 4.461 ( 2.531 4.529 5.126) 7.293 4.521 ( -2.427 3.178 -0.942) 4.108 4.714 ( 6.782 -9.231 4.148) 12.182 4.875 ( 9.133 -9.858 -9.961) 16.727 5.188 ( 1.828 1.072 3.283) 3.908 5.246 ( 3.403 -0.625 -2.131) 4.063 5.367 ( 5.473 -4.771 9.731) 12.141 5.560 ( 4.737 -7.226 -10.091) 13.284 6.095 ( -5.912 12.309 5.707) 14.800 6.250 ( -2.102 13.580 -9.763) 16.857 6.956 ( 1.564 0.425 5.920) 6.138 7.061 ( 1.545 2.269 -4.853) 5.575 7.266 ( -2.971 1.434 7.745) 8.419 7.387 ( -4.412 1.439 -5.108) 6.902 7.936 ( 1.651 1.724 18.506) 18.660 8.294 ( 12.153 0.332 -13.521) 18.183 8.557 ( 1.302 1.303 0.181) 1.851 8.635 ( 0.183 -4.645 -7.142) 8.521 9.236 ( 4.860 -4.658 3.435) 7.557 9.334 ( -2.585 -8.104 -6.576) 10.752 13.276 ( -1.247 0.842 11.792) 11.887 13.515 ( -1.487 -0.473 -13.324) 13.415 15.506 ( -4.133 -2.707 6.242) 7.961 15.582 ( -4.539 -0.739 -1.684) 4.897 17.010 ( 22.839 -0.343 14.207) 26.899 17.294 ( 20.715 1.084 -15.225) 25.731 17.969 ( -1.789 -7.530 5.074) 9.255 18.071 ( -2.904 -7.322 -5.633) 9.684 18.423 ( -7.423 -1.032 16.967) 18.549 18.740 ( -4.472 -2.024 -15.431) 16.193 19.749 ( -7.478 3.644 16.531) 18.506 20.073 ( -12.338 5.467 -16.654) 21.435 21.264 ( -1.086 7.400 19.832) 21.195 21.638 ( -0.130 5.037 -19.174) 19.825 23.734 ( -2.250 -1.582 12.301) 12.605 23.981 ( -2.299 -4.466 -13.460) 14.367 47.345 ( 5.883 3.188 6.822) 9.556 47.468 ( 1.761 2.472 -6.046) 6.765 48.272 ( -3.877 -2.060 4.816) 6.517 48.359 ( -6.360 -2.830 -4.241) 8.152 97.972 ( 0.515 0.397 0.371) 0.749 97.975 ( 0.477 0.366 0.122) 0.613 98.657 ( -3.677 1.393 0.288) 3.942 98.662 ( -3.222 1.486 -0.245) 3.556 99.208 ( 1.379 -0.633 3.645) 3.948 99.273 ( 0.754 0.203 -2.828) 2.934 99.815 ( 4.279 0.656 15.638) 16.226 100.138 ( 5.108 -0.336 -17.857) 18.576 ======================= Grid point 247 (80/100) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 5.037 -5.216 5.078) 8.852 2.341 ( 4.602 -7.387 -4.701) 9.892 2.805 ( 4.590 -8.681 8.718) 13.131 2.978 ( 4.338 -4.375 -2.313) 6.581 3.155 ( -0.311 1.419 5.998) 6.171 3.192 ( -5.761 5.597 -0.167) 8.034 3.234 ( -4.131 9.004 -1.729) 10.056 3.398 ( 1.010 6.493 -11.991) 13.673 3.860 ( -2.213 -5.820 0.930) 6.296 3.889 ( -2.880 -3.267 -2.399) 4.972 4.223 ( -1.420 1.581 4.924) 5.363 4.284 ( -2.267 3.008 -0.986) 3.893 4.453 ( 1.098 1.276 2.409) 2.939 4.487 ( 0.823 0.757 0.275) 1.151 4.958 ( 5.494 -6.368 9.591) 12.757 5.120 ( 5.510 -6.603 -6.182) 10.591 5.192 ( 0.168 0.614 4.298) 4.345 5.294 ( 1.098 -0.480 -4.671) 4.822 5.508 ( 4.318 -4.741 12.432) 13.988 5.730 ( 0.394 -6.394 -8.014) 10.259 5.832 ( -3.639 7.854 4.435) 9.726 6.018 ( -2.796 11.822 -11.947) 17.038 6.967 ( 0.680 0.287 5.495) 5.545 7.042 ( 0.197 1.330 -1.836) 2.275 7.238 ( 0.059 0.225 4.057) 4.064 7.320 ( -2.418 0.365 -5.225) 5.769 7.932 ( 0.368 0.600 21.248) 21.260 8.408 ( 4.092 0.807 -25.938) 26.271 8.560 ( 1.248 0.296 6.858) 6.977 8.683 ( -0.024 -1.574 -5.460) 5.683 9.336 ( 2.910 -0.806 1.654) 3.443 9.388 ( -2.427 -4.107 -3.701) 6.038 13.256 ( -0.443 0.236 12.116) 12.126 13.503 ( -0.570 -0.145 -13.860) 13.872 15.492 ( -1.459 -1.077 4.867) 5.194 15.541 ( -1.632 -0.059 -0.406) 1.683 17.294 ( 13.379 0.530 11.839) 17.873 17.516 ( 9.970 1.149 -10.982) 14.877 17.951 ( -7.809 -2.922 6.307) 10.454 18.091 ( -4.714 -3.914 -8.269) 10.292 18.418 ( 1.288 -1.824 18.248) 18.384 18.730 ( -0.501 -0.574 -12.972) 12.995 19.645 ( -1.609 0.590 7.796) 7.982 19.843 ( -7.437 3.649 -11.774) 14.396 21.182 ( -0.257 2.528 21.192) 21.343 21.587 ( 0.060 1.823 -21.007) 21.086 23.724 ( -0.898 -0.423 13.913) 13.948 23.996 ( -1.040 -1.324 -14.445) 14.543 47.393 ( 4.353 1.352 3.474) 5.731 47.451 ( -0.777 0.723 -2.620) 2.827 48.256 ( -0.992 -0.586 3.101) 3.308 48.315 ( -3.332 -1.338 -3.036) 4.702 97.973 ( 0.156 0.168 0.419) 0.478 97.975 ( 0.152 0.160 0.158) 0.271 98.604 ( -1.365 0.530 0.099) 1.468 98.611 ( -1.224 0.694 -0.573) 1.520 99.234 ( 0.717 -0.567 1.941) 2.146 99.272 ( 0.122 0.526 -1.860) 1.937 99.857 ( 1.612 -0.065 16.845) 16.922 100.193 ( 1.779 -0.136 -17.964) 18.053 ======================= Grid point 253 (81/100) ======================= q-point: ( 0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -4.278 0.000 25.504) 25.861 1.835 ( 3.532 -0.000 18.657) 18.989 2.461 ( 6.140 -0.000 -16.850) 17.933 2.463 ( -2.767 0.000 -21.831) 22.006 3.123 ( 6.856 -0.000 2.337) 7.244 3.149 ( 5.497 -0.000 0.947) 5.578 3.464 ( 14.283 -0.000 25.307) 29.060 3.817 ( -1.176 0.000 -10.820) 10.884 3.862 ( -6.161 0.000 13.336) 14.691 3.898 ( -0.312 0.000 0.015) 0.313 3.937 ( -0.992 0.000 -2.276) 2.483 4.227 ( 4.805 -0.000 -20.826) 21.373 4.521 ( -3.995 0.000 5.859) 7.091 4.547 ( 7.424 -0.000 0.491) 7.441 4.595 ( 12.287 -0.000 -3.358) 12.738 4.635 ( -5.704 0.000 -5.666) 8.040 5.168 ( 2.124 -0.000 8.397) 8.661 5.241 ( 0.137 -0.000 0.355) 0.381 5.243 ( 3.630 -0.000 4.327) 5.648 5.352 ( 3.574 -0.000 -7.313) 8.140 6.546 ( -7.426 0.000 4.690) 8.783 6.667 ( -6.897 0.000 -5.541) 8.847 6.942 ( 2.276 -0.000 2.763) 3.579 7.058 ( 2.774 -0.000 -7.639) 8.127 7.500 ( -4.252 0.000 8.324) 9.347 7.580 ( -4.334 0.000 0.793) 4.406 8.009 ( 6.129 -0.000 2.314) 6.551 8.028 ( 12.781 -0.000 0.246) 12.783 8.362 ( 12.752 -0.000 -2.396) 12.975 8.371 ( 11.136 -0.000 -4.728) 12.098 8.981 ( 0.305 -0.000 6.894) 6.901 9.165 ( -2.670 0.000 -11.849) 12.147 13.356 ( -2.735 0.000 7.630) 8.105 13.502 ( -1.414 0.000 -7.812) 7.939 15.462 ( -4.965 0.000 9.916) 11.090 15.616 ( -6.360 0.000 -5.914) 8.684 16.634 ( 22.819 -0.000 15.975) 27.855 16.972 ( 23.003 -0.000 -19.415) 30.102 17.723 ( 3.917 -0.000 7.335) 8.315 17.860 ( 2.152 -0.000 -7.046) 7.367 18.567 ( -12.425 0.000 11.583) 16.987 18.781 ( -9.571 0.000 -10.691) 14.350 19.987 ( -8.226 0.000 21.620) 23.132 20.398 ( -11.497 0.000 -20.942) 23.891 21.648 ( -8.632 0.000 11.449) 14.339 21.850 ( -3.635 0.000 -9.910) 10.556 23.630 ( -0.453 0.000 8.354) 8.366 23.788 ( 1.929 -0.000 -8.123) 8.349 47.414 ( 1.341 -0.000 6.664) 6.798 47.530 ( 1.454 -0.000 -5.710) 5.892 48.249 ( -3.869 0.000 6.239) 7.341 48.359 ( -5.293 0.000 -5.225) 7.438 97.973 ( 0.975 -0.000 0.382) 1.047 97.977 ( 0.867 -0.000 -0.019) 0.867 98.756 ( -4.157 0.000 0.316) 4.169 98.764 ( -5.198 0.000 -0.376) 5.212 99.207 ( 4.376 -0.000 2.792) 5.190 99.210 ( 1.548 -0.000 2.821) 3.218 99.855 ( 1.658 -0.000 4.181) 4.498 100.005 ( 8.410 -0.000 -12.311) 14.910 ======================= Grid point 254 (82/100) ======================= q-point: ( 0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 7.615 -3.867 18.228) 20.129 1.956 ( 8.715 -3.262 8.144) 12.366 2.432 ( 2.787 0.012 -8.701) 9.136 2.606 ( 3.833 -6.695 -18.607) 20.143 3.235 ( 7.428 0.255 1.772) 7.641 3.253 ( 7.491 -0.653 0.396) 7.530 3.552 ( -7.060 -3.655 11.498) 13.979 3.751 ( -8.263 -0.738 -8.481) 11.864 3.787 ( 1.607 7.244 7.389) 10.471 3.879 ( -1.590 5.047 -3.257) 6.213 4.028 ( 10.781 -8.555 17.528) 22.286 4.362 ( 5.173 -0.708 -9.647) 10.969 4.487 ( -3.081 -4.167 -0.044) 5.183 4.529 ( -6.197 -1.168 -3.174) 7.060 4.634 ( 4.975 1.294 0.798) 5.202 4.732 ( 7.715 2.029 -7.227) 10.764 5.219 ( 2.078 -1.922 6.784) 7.351 5.242 ( 1.793 -0.176 2.887) 3.403 5.295 ( 5.101 1.489 3.225) 6.216 5.424 ( 4.728 -1.889 -8.494) 9.903 6.386 ( -7.085 5.880 6.481) 11.259 6.543 ( -5.078 4.418 -8.357) 10.730 6.982 ( 3.723 0.838 4.853) 6.174 7.113 ( 4.369 0.817 -7.900) 9.064 7.395 ( -2.398 5.474 7.492) 9.583 7.492 ( -3.251 3.454 -2.070) 5.175 8.018 ( 3.019 5.716 13.016) 14.533 8.269 ( 12.621 -2.896 -7.432) 14.930 8.525 ( 8.374 -2.079 -0.945) 8.680 8.585 ( 9.801 -1.063 -2.696) 10.220 9.042 ( 3.574 -6.076 0.341) 7.058 9.144 ( -3.050 -3.335 -9.732) 10.731 13.307 ( -2.343 0.982 9.504) 9.838 13.488 ( -1.557 -0.935 -9.664) 9.833 15.419 ( -3.291 -2.187 8.742) 9.594 15.547 ( -4.175 -1.037 -4.427) 6.173 17.001 ( 25.634 -0.182 15.392) 29.901 17.320 ( 23.233 0.659 -17.794) 29.271 17.789 ( 0.168 -3.617 4.865) 6.065 17.886 ( -3.646 -4.105 -5.255) 7.600 18.392 ( -9.894 -0.743 14.987) 17.974 18.673 ( -5.266 -1.722 -14.061) 15.113 19.837 ( -9.643 1.777 18.782) 21.187 20.192 ( -13.698 2.237 -17.818) 22.586 21.472 ( -8.388 4.983 16.422) 19.102 21.764 ( -4.509 2.706 -14.363) 15.295 23.648 ( -1.313 -3.078 10.031) 10.575 23.847 ( 2.203 -3.071 -10.662) 11.312 47.430 ( 3.022 1.965 6.000) 6.999 47.527 ( -0.819 1.240 -4.332) 4.580 48.219 ( -1.303 -1.263 3.907) 4.308 48.291 ( -5.022 -1.403 -3.578) 6.324 97.983 ( 0.532 0.246 0.349) 0.682 97.985 ( 0.359 0.227 0.211) 0.474 98.685 ( -4.741 0.506 0.415) 4.786 98.691 ( -3.944 0.477 -0.459) 3.999 99.232 ( 3.618 1.626 4.727) 6.171 99.283 ( 4.268 -0.210 0.130) 4.275 99.856 ( 1.199 1.702 9.423) 9.650 100.112 ( 4.501 -1.081 -17.186) 17.799 ======================= Grid point 255 (83/100) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 15.419 -7.271 8.770) 19.171 2.165 ( 12.355 -3.140 0.285) 12.751 2.547 ( 5.818 -6.312 1.613) 8.735 2.761 ( 2.250 -7.766 -15.246) 17.258 3.254 ( -2.471 3.240 6.914) 8.026 3.331 ( 1.932 3.399 -0.446) 3.935 3.550 ( 0.621 -3.127 5.155) 6.061 3.609 ( -2.868 9.688 1.460) 10.208 3.705 ( -3.538 -5.119 -4.533) 7.699 3.749 ( -3.740 5.899 -6.233) 9.361 4.264 ( 3.358 -0.021 9.192) 9.787 4.341 ( -4.084 0.555 -0.844) 4.207 4.462 ( -2.041 -4.337 6.582) 8.143 4.550 ( 3.561 2.371 0.971) 4.387 4.711 ( 3.759 -3.726 0.767) 5.348 4.859 ( 6.687 -7.058 -10.746) 14.492 5.239 ( 2.198 1.286 4.997) 5.608 5.311 ( 3.812 0.832 -1.264) 4.101 5.378 ( 5.225 -3.449 8.435) 10.505 5.541 ( 4.575 -4.246 -8.324) 10.404 6.170 ( -6.840 9.780 9.120) 15.021 6.381 ( -4.062 8.848 -11.811) 15.307 7.011 ( 2.839 2.194 6.484) 7.410 7.124 ( 0.572 3.122 -3.733) 4.900 7.326 ( 4.162 5.044 2.581) 7.031 7.402 ( -0.702 4.305 -4.083) 5.974 7.955 ( -1.463 3.526 19.690) 20.056 8.394 ( 0.575 -0.063 -24.058) 24.065 8.643 ( 8.220 3.285 7.322) 11.488 8.714 ( 10.116 1.394 1.287) 10.292 9.173 ( -3.572 -6.948 -2.445) 8.186 9.237 ( 7.273 -7.208 -7.411) 12.640 13.268 ( -1.334 0.564 10.937) 11.032 13.483 ( -1.107 -1.050 -11.715) 11.814 15.423 ( -1.275 -2.821 7.205) 7.842 15.520 ( -1.727 -1.146 -2.889) 3.556 17.330 ( 16.179 1.913 12.244) 20.380 17.542 ( 4.393 0.653 -8.879) 9.928 17.806 ( -5.253 -5.573 3.559) 8.445 17.928 ( 3.788 -6.279 -9.185) 11.754 18.355 ( 1.935 -2.038 18.444) 18.657 18.686 ( 1.646 -2.156 -15.422) 15.659 19.682 ( -6.482 1.621 13.415) 14.987 19.953 ( -12.285 3.159 -14.246) 19.075 21.289 ( -6.979 3.978 19.696) 21.272 21.655 ( -4.852 2.358 -18.583) 19.350 23.670 ( -1.403 -2.722 12.844) 13.204 23.923 ( 1.791 -2.950 -13.442) 13.878 47.438 ( 0.616 1.542 2.552) 3.045 47.472 ( -4.057 0.564 -1.068) 4.233 48.240 ( 1.206 -0.404 1.597) 2.042 48.272 ( 0.868 -1.442 -1.737) 2.419 97.981 ( -0.144 0.318 0.429) 0.553 97.983 ( -0.074 0.297 0.212) 0.372 98.618 ( -3.197 0.424 0.691) 3.298 98.633 ( -2.699 0.605 -1.025) 2.949 99.261 ( 3.938 2.107 4.080) 6.049 99.325 ( 3.417 2.220 -2.015) 4.546 99.853 ( 0.065 0.033 14.196) 14.196 100.168 ( 0.726 -1.375 -18.325) 18.390 ======================= Grid point 256 (84/100) ======================= q-point: ( 0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 9.763 -0.153 5.062) 10.999 2.390 ( 12.488 -3.252 -3.324) 13.325 2.743 ( 4.247 -7.429 4.085) 9.482 2.900 ( 0.951 -9.522 -9.026) 13.155 3.140 ( -5.350 3.454 8.379) 10.525 3.214 ( -3.886 5.501 0.568) 6.759 3.365 ( -1.514 13.112 2.520) 13.437 3.484 ( -5.300 8.986 -9.783) 14.303 3.793 ( 5.678 -7.889 1.875) 9.900 3.845 ( 6.508 -6.660 -3.495) 9.947 4.218 ( -2.914 0.998 3.734) 4.840 4.267 ( -3.973 0.880 -1.331) 4.282 4.453 ( -1.474 1.045 5.441) 5.733 4.545 ( 1.282 4.177 -2.844) 5.213 4.891 ( 2.551 -8.779 8.607) 12.556 5.044 ( 0.695 -7.966 -6.587) 10.360 5.242 ( 2.461 3.257 4.512) 6.085 5.326 ( 1.704 2.452 -3.125) 4.322 5.523 ( 5.893 -4.552 10.008) 12.474 5.679 ( 4.338 -5.526 -5.465) 8.900 5.908 ( -6.037 11.240 9.519) 15.918 6.162 ( -4.114 12.408 -14.804) 19.750 7.000 ( 0.585 2.411 5.733) 6.247 7.072 ( -0.675 2.839 -1.256) 3.177 7.320 ( 4.056 5.368 0.974) 6.798 7.374 ( 5.405 3.581 -4.632) 7.968 7.891 ( -3.652 -0.266 20.819) 21.139 8.349 ( -6.248 -1.351 -24.634) 25.449 8.657 ( 3.381 5.719 8.873) 11.084 8.814 ( 8.735 5.532 -7.195) 12.596 9.234 ( -2.552 -6.938 7.710) 10.681 9.425 ( 8.144 -2.076 -10.833) 13.711 13.252 ( -0.317 -0.039 11.713) 11.718 13.489 ( -0.170 -1.046 -13.142) 13.185 15.463 ( 1.230 -2.560 5.782) 6.442 15.530 ( 1.104 -0.853 -1.369) 1.955 17.291 ( -14.955 0.220 9.349) 17.638 17.464 ( -14.468 -2.437 -8.602) 17.008 17.946 ( 14.020 -2.852 9.491) 17.169 18.139 ( 13.583 -0.370 -10.530) 17.190 18.440 ( 4.100 -0.456 17.322) 17.806 18.730 ( 1.259 -0.364 -11.444) 11.519 19.634 ( 0.334 -0.474 4.765) 4.800 19.787 ( -3.772 0.199 -9.969) 10.661 21.157 ( -6.062 0.672 21.068) 21.933 21.561 ( -5.246 0.038 -21.024) 21.669 23.692 ( -0.354 -2.229 15.246) 15.412 23.987 ( 2.500 -1.666 -15.439) 15.729 47.363 ( -7.755 -0.651 3.841) 8.678 47.435 ( -2.520 -0.386 -3.532) 4.356 48.270 ( 3.623 0.374 4.167) 5.534 48.345 ( 7.037 0.707 -3.631) 7.951 97.973 ( -0.473 0.137 0.427) 0.652 97.975 ( -0.468 0.138 0.160) 0.514 98.586 ( -0.966 -0.481 0.603) 1.237 98.602 ( -0.605 -0.007 -1.137) 1.288 99.283 ( 3.541 2.551 2.105) 4.845 99.322 ( 2.233 3.538 -1.768) 4.542 99.847 ( -2.051 -0.769 16.152) 16.299 100.175 ( -2.599 -1.320 -17.783) 18.021 ======================= Grid point 257 (85/100) ======================= q-point: (-0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 1.146 8.316 6.150) 10.406 2.455 ( 1.303 10.367 -6.464) 12.286 2.825 ( -2.816 -0.068 8.136) 8.610 2.913 ( -8.930 3.941 3.666) 10.427 3.112 ( -0.003 -6.172 -6.032) 8.630 3.170 ( -4.373 1.300 -7.207) 8.530 3.264 ( 9.317 0.316 4.883) 10.524 3.355 ( 3.704 -0.459 -4.408) 5.776 3.983 ( 6.917 -2.604 0.283) 7.396 4.007 ( 7.765 1.572 -2.124) 8.202 4.203 ( -1.315 -3.047 4.389) 5.502 4.239 ( -0.374 -4.169 1.175) 4.348 4.422 ( -0.902 1.399 3.420) 3.804 4.486 ( -1.053 2.380 -2.782) 3.809 4.919 ( -5.785 1.380 8.020) 9.985 5.058 ( -7.801 0.119 -5.920) 9.794 5.218 ( 0.819 3.228 3.973) 5.184 5.300 ( -0.079 2.449 -2.910) 3.804 5.558 ( -3.011 8.100 13.789) 16.273 5.790 ( 4.973 -5.128 6.695) 9.791 5.828 ( 0.472 3.009 -11.181) 11.588 5.956 ( 0.226 1.448 -11.408) 11.502 6.971 ( -0.330 1.529 4.430) 4.698 7.034 ( -0.585 0.888 -2.078) 2.334 7.313 ( 5.206 4.302 5.285) 8.575 7.421 ( 7.340 3.261 -6.180) 10.134 7.853 ( -4.899 -2.840 19.424) 20.233 8.260 ( -9.355 -1.642 -20.565) 22.652 8.604 ( 0.915 4.707 8.708) 9.941 8.806 ( 3.094 6.565 -12.637) 14.572 9.278 ( -1.041 -1.849 12.609) 12.786 9.522 ( 6.558 3.934 -12.504) 14.657 13.258 ( 0.493 -0.501 12.217) 12.237 13.508 ( 0.795 -0.904 -14.092) 14.143 15.532 ( 3.960 -1.388 4.990) 6.520 15.579 ( 4.111 -0.628 -0.228) 4.165 17.012 ( -21.422 -0.324 11.754) 24.437 17.241 ( -19.988 -2.760 -12.057) 23.505 18.156 ( 10.467 3.792 5.419) 12.381 18.257 ( 5.905 4.607 -3.897) 8.443 18.460 ( 3.386 2.060 16.352) 16.825 18.767 ( 4.274 -0.139 -13.236) 13.910 19.661 ( 3.033 -1.823 9.829) 10.447 19.898 ( 9.709 -5.862 -13.729) 17.808 21.096 ( -5.184 -3.728 21.102) 22.047 21.508 ( -5.197 -3.437 -21.778) 22.652 23.727 ( 1.070 -1.781 16.581) 16.711 24.047 ( 3.875 -0.063 -16.766) 17.208 47.263 ( -8.271 -2.263 6.845) 10.972 47.398 ( -4.608 -2.110 -7.240) 8.837 48.330 ( 6.205 1.763 6.231) 8.968 48.438 ( 8.158 2.327 -5.056) 9.876 97.964 ( -0.647 -0.128 0.364) 0.753 97.967 ( -0.638 -0.142 0.087) 0.660 98.606 ( 1.309 -1.816 0.602) 2.318 98.619 ( 1.777 -1.203 -0.784) 2.285 99.279 ( 1.963 3.940 1.214) 4.566 99.306 ( 2.371 2.594 -1.491) 3.817 99.806 ( -4.713 -0.304 16.427) 17.092 100.130 ( -5.635 -0.859 -17.187) 18.108 ======================= Grid point 258 (86/100) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.210 14.397 6.787) 15.917 2.256 ( -0.146 12.345 0.858) 12.376 2.601 ( -7.642 10.133 6.022) 14.048 2.820 ( -6.465 1.884 -11.165) 13.039 3.045 ( -5.301 0.018 0.459) 5.321 3.116 ( -5.370 -2.791 -3.432) 6.957 3.525 ( 10.862 -6.440 2.014) 12.787 3.553 ( 10.200 -7.719 -0.831) 12.819 3.994 ( 0.043 4.606 2.032) 5.035 4.042 ( 3.667 6.826 -2.890) 8.270 4.233 ( -1.490 0.373 9.883) 10.001 4.353 ( 2.068 -5.177 2.736) 6.209 4.385 ( 0.845 -1.308 2.231) 2.721 4.497 ( 1.789 -2.120 -4.088) 4.940 4.750 ( -5.763 7.190 3.825) 9.977 4.863 ( -8.864 6.948 -7.004) 13.262 5.173 ( -0.988 2.250 3.313) 4.125 5.241 ( -1.438 3.749 -1.917) 4.450 5.371 ( -5.291 7.328 9.166) 12.873 5.608 ( -6.034 10.019 -13.448) 17.823 6.012 ( 5.220 -9.370 4.145) 11.499 6.108 ( 3.125 -9.916 -5.161) 11.608 6.946 ( -0.583 0.923 4.488) 4.619 7.027 ( -0.309 -0.654 -3.955) 4.020 7.353 ( 7.028 2.277 8.850) 11.528 7.490 ( 7.608 2.465 -5.793) 9.875 7.824 ( -6.239 -4.129 15.224) 16.963 8.112 ( -11.565 0.589 -12.777) 17.244 8.566 ( 0.850 2.315 5.196) 5.751 8.741 ( 0.977 5.553 -12.647) 13.847 9.241 ( -1.990 4.016 13.156) 13.898 9.499 ( 3.348 8.775 -13.385) 16.351 13.279 ( 0.933 -0.953 12.453) 12.524 13.536 ( 1.326 -0.562 -14.567) 14.638 15.613 ( 6.310 0.839 5.347) 8.313 15.667 ( 6.404 -0.446 -0.299) 6.427 16.696 ( -20.523 0.758 13.986) 24.847 16.975 ( -19.460 -1.066 -15.014) 24.602 18.080 ( -2.635 9.289 6.880) 11.856 18.197 ( -0.783 8.227 -5.646) 10.009 18.562 ( 9.768 -0.561 14.675) 17.638 18.851 ( 6.950 0.788 -14.515) 16.112 19.791 ( 6.615 -4.791 18.604) 20.318 20.154 ( 10.913 -6.669 -18.692) 22.648 21.120 ( -3.672 -8.633 20.281) 22.346 21.517 ( -3.963 -7.155 -21.036) 22.570 23.771 ( 1.922 -0.831 16.333) 16.466 24.093 ( 4.435 2.643 -17.384) 18.135 47.199 ( -6.139 -3.858 9.038) 11.587 47.373 ( -4.075 -3.574 -9.223) 10.698 48.388 ( 5.904 2.801 6.862) 9.476 48.507 ( 6.717 3.378 -5.603) 9.377 97.958 ( -0.701 -0.301 0.307) 0.823 97.961 ( -0.681 -0.308 -0.010) 0.747 98.671 ( 2.565 -2.762 0.983) 3.895 98.686 ( 3.548 -2.339 -0.484) 4.277 99.242 ( 1.252 3.804 3.085) 5.055 99.305 ( 2.419 2.699 -3.303) 4.903 99.722 ( -6.724 -0.187 16.138) 17.484 100.039 ( -7.614 -0.388 -16.782) 18.432 ======================= Grid point 259 (87/100) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.261 12.638 14.503) 19.239 2.147 ( 5.596 8.901 7.599) 12.973 2.367 ( -7.083 6.431 -0.400) 9.576 2.683 ( -3.750 4.737 -20.775) 21.636 2.998 ( -3.846 -2.226 4.850) 6.578 3.085 ( -3.107 -1.962 -3.445) 5.037 3.682 ( 2.735 4.794 14.038) 15.084 3.775 ( 5.747 -4.496 -0.242) 7.301 3.887 ( -2.716 4.787 2.905) 6.224 3.938 ( 0.516 6.021 0.948) 6.117 4.185 ( -1.017 0.086 3.144) 3.306 4.377 ( -1.887 3.546 -9.025) 9.878 4.443 ( 3.243 1.550 4.179) 5.512 4.551 ( 1.164 3.331 -4.167) 5.460 4.643 ( -3.542 0.502 -4.377) 5.653 4.646 ( -2.035 1.843 -2.320) 3.595 5.135 ( -1.010 0.783 2.172) 2.520 5.174 ( -0.834 2.247 -0.494) 2.447 5.209 ( -3.985 4.426 8.302) 10.217 5.408 ( -4.280 6.129 -10.258) 12.693 6.208 ( 1.504 -10.951 3.475) 11.587 6.298 ( 1.221 -11.817 -5.027) 12.900 6.927 ( -0.471 0.555 5.509) 5.556 7.034 ( -0.207 -0.628 -5.498) 5.537 7.456 ( 8.441 -0.348 10.653) 13.596 7.571 ( 7.066 1.254 -0.430) 7.190 7.781 ( -7.913 -3.917 6.257) 10.822 7.924 ( -10.408 1.940 -8.697) 13.702 8.530 ( -0.072 4.732 4.239) 6.354 8.678 ( 1.058 5.724 -11.414) 12.812 9.115 ( -2.652 7.184 13.534) 15.550 9.385 ( 0.849 9.744 -14.008) 17.085 13.311 ( 0.824 -1.598 12.028) 12.162 13.559 ( 1.071 0.026 -14.204) 14.244 15.682 ( 6.383 3.163 6.531) 9.665 15.766 ( 6.375 0.407 -2.050) 6.709 16.410 ( -14.620 1.850 15.525) 21.406 16.722 ( -13.953 1.073 -16.832) 21.890 17.898 ( -2.583 9.046 7.928) 12.303 18.042 ( -2.093 8.588 -7.212) 11.408 18.699 ( 6.423 -0.870 11.907) 13.557 18.930 ( 4.892 0.811 -11.911) 12.901 19.954 ( 4.582 -5.088 22.508) 23.527 20.383 ( 6.774 -5.969 -21.825) 23.618 21.245 ( -1.354 -13.417 18.929) 23.242 21.603 ( -1.489 -9.838 -18.518) 21.022 23.797 ( 1.491 1.002 13.455) 13.574 24.080 ( 2.912 7.164 -16.312) 18.052 47.203 ( -2.695 -5.605 9.929) 11.716 47.388 ( -1.933 -4.457 -9.619) 10.776 48.413 ( 3.462 3.348 6.692) 8.245 48.532 ( 3.689 3.801 -5.669) 7.759 97.952 ( -0.556 -0.264 0.274) 0.674 97.956 ( -0.545 -0.280 -0.091) 0.619 98.749 ( 2.086 -2.770 1.686) 3.855 98.778 ( 3.207 -2.655 -1.150) 4.320 99.210 ( 1.227 3.247 4.281) 5.511 99.290 ( 1.587 3.344 -3.916) 5.388 99.637 ( -5.957 -1.958 15.523) 16.742 99.936 ( -6.120 -0.239 -15.657) 16.812 ======================= Grid point 260 (88/100) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 5.064 23.026) 23.576 2.086 ( 0.000 8.638 27.559) 28.881 2.252 ( -0.000 -0.454 -19.374) 19.379 2.594 ( 0.000 3.553 -25.349) 25.597 2.997 ( -0.000 -1.509 5.213) 5.427 3.084 ( -0.000 -0.763 -3.551) 3.632 3.458 ( 0.000 17.561 31.001) 35.630 3.854 ( -0.000 -1.895 -0.681) 2.014 3.870 ( 0.000 4.748 -7.477) 8.857 3.877 ( -0.000 -0.132 -2.972) 2.975 4.194 ( 0.000 1.504 -1.449) 2.088 4.294 ( 0.000 1.225 -14.662) 14.713 4.382 ( 0.000 6.049 1.918) 6.346 4.433 ( 0.000 8.419 -3.422) 9.088 4.600 ( -0.000 -0.352 5.384) 5.396 4.726 ( -0.000 -2.912 -6.220) 6.868 5.133 ( -0.000 -1.812 3.038) 3.538 5.137 ( 0.000 1.451 9.949) 10.055 5.167 ( -0.000 -2.224 -0.725) 2.339 5.312 ( 0.000 2.827 -8.289) 8.758 6.395 ( -0.000 -12.991 3.680) 13.502 6.503 ( -0.000 -14.755 -6.579) 16.155 6.918 ( 0.000 0.240 6.701) 6.705 7.040 ( -0.000 -0.495 -5.766) 5.787 7.560 ( -0.000 -1.211 12.663) 12.720 7.634 ( -0.000 -0.412 9.142) 9.151 7.745 ( -0.000 -3.720 -2.169) 4.306 7.802 ( 0.000 1.548 -12.234) 12.331 8.406 ( 0.000 11.287 4.795) 12.263 8.556 ( 0.000 12.653 -11.199) 16.897 9.008 ( 0.000 3.619 13.696) 14.166 9.273 ( 0.000 5.730 -13.668) 14.821 13.347 ( -0.000 -2.326 10.417) 10.673 13.561 ( 0.000 0.923 -12.334) 12.368 15.678 ( 0.000 4.683 8.276) 9.509 15.809 ( 0.000 1.424 -5.126) 5.320 16.262 ( 0.000 1.821 16.004) 16.108 16.582 ( 0.000 1.962 -17.209) 17.321 17.758 ( 0.000 6.964 8.030) 10.629 17.910 ( 0.000 6.754 -7.794) 10.313 18.761 ( -0.000 -0.817 10.693) 10.724 18.960 ( 0.000 0.409 -9.913) 9.922 20.056 ( -0.000 -3.938 23.668) 23.993 20.512 ( -0.000 -4.544 -23.574) 24.008 21.463 ( -0.000 -16.322 15.703) 22.650 21.743 ( -0.000 -9.629 -13.945) 16.947 23.778 ( 0.000 3.277 7.761) 8.424 23.960 ( 0.000 11.505 -11.527) 16.286 47.278 ( -0.000 -6.622 8.776) 10.995 47.440 ( -0.000 -4.043 -8.481) 9.395 48.389 ( 0.000 3.399 6.434) 7.277 48.505 ( 0.000 3.406 -5.618) 6.570 97.951 ( -0.000 -0.165 0.269) 0.315 97.954 ( -0.000 -0.172 -0.118) 0.208 98.803 ( -0.000 -2.102 1.850) 2.800 98.838 ( -0.000 -1.763 -1.725) 2.466 99.173 ( 0.000 2.781 4.207) 5.043 99.257 ( 0.000 2.765 -4.451) 5.240 99.637 ( -0.000 -4.871 14.134) 14.949 99.889 ( 0.000 0.353 -12.686) 12.691 ======================= Grid point 263 (89/100) ======================= q-point: ( 0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 16.977 -0.000 13.852) 21.911 2.128 ( 16.678 -0.000 2.971) 16.941 2.466 ( 2.676 -0.000 -6.728) 7.241 2.624 ( 5.303 -0.000 -13.538) 14.539 3.309 ( -3.012 0.000 3.387) 4.532 3.348 ( 6.434 -0.000 -1.329) 6.569 3.439 ( 1.345 -0.000 7.134) 7.260 3.605 ( -9.451 0.000 -9.135) 13.145 3.854 ( -1.799 0.000 2.140) 2.796 3.887 ( -2.929 0.000 -1.276) 3.195 4.197 ( 18.040 -0.000 21.099) 27.760 4.357 ( -5.858 0.000 1.831) 6.138 4.378 ( -9.117 0.000 -0.126) 9.118 4.532 ( 10.402 -0.000 -11.944) 15.839 4.679 ( -0.318 0.000 4.588) 4.599 4.829 ( 2.401 -0.000 -9.180) 9.489 5.239 ( 3.793 -0.000 6.695) 7.695 5.258 ( 1.989 -0.000 3.398) 3.938 5.385 ( 5.175 -0.000 2.206) 5.625 5.489 ( 5.788 -0.000 -8.889) 10.607 6.318 ( -7.551 0.000 8.880) 11.656 6.494 ( -5.150 0.000 -8.256) 9.730 7.049 ( 3.653 -0.000 5.737) 6.801 7.174 ( 1.578 -0.000 -5.418) 5.644 7.432 ( 2.432 -0.000 1.526) 2.872 7.467 ( -2.428 0.000 -0.645) 2.512 8.122 ( 0.718 -0.000 11.622) 11.644 8.385 ( 6.563 -0.000 -10.368) 12.271 8.651 ( 10.744 -0.000 7.816) 13.286 8.753 ( 9.412 -0.000 3.991) 10.223 9.062 ( 8.825 -0.000 -11.298) 14.336 9.072 ( -3.122 0.000 -10.677) 11.124 13.280 ( -2.062 0.000 9.627) 9.846 13.462 ( -1.097 0.000 -9.501) 9.564 15.373 ( -0.879 0.000 8.613) 8.658 15.499 ( -1.479 0.000 -4.346) 4.591 17.378 ( 22.923 -0.000 12.631) 26.172 17.543 ( -4.944 0.000 -2.471) 5.527 17.722 ( -11.514 0.000 -1.223) 11.579 17.803 ( 15.071 -0.000 -11.671) 19.062 18.321 ( 1.742 -0.000 17.894) 17.978 18.645 ( 2.889 -0.000 -15.496) 15.763 19.711 ( -8.365 0.000 15.083) 17.247 20.003 ( -13.543 0.000 -14.909) 20.142 21.359 ( -10.613 0.000 18.488) 21.318 21.696 ( -6.997 0.000 -16.788) 18.188 23.617 ( -0.311 0.000 13.071) 13.075 23.871 ( 3.431 -0.000 -13.411) 13.843 47.467 ( -0.192 0.000 1.559) 1.571 47.479 ( -6.682 0.000 0.166) 6.685 48.237 ( -0.360 0.000 0.224) 0.424 48.243 ( 5.483 -0.000 -0.320) 5.492 97.987 ( -0.304 0.000 0.439) 0.534 97.988 ( -0.139 0.000 0.247) 0.283 98.625 ( -3.829 0.000 0.885) 3.930 98.642 ( -3.125 0.000 -1.169) 3.336 99.310 ( 4.762 -0.000 4.557) 6.592 99.358 ( 5.537 -0.000 0.492) 5.559 99.860 ( -1.802 0.000 10.241) 10.398 100.138 ( 0.321 -0.000 -18.290) 18.293 ======================= Grid point 264 (90/100) ======================= q-point: ( 0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 19.104 -2.994 7.679) 20.806 2.393 ( 18.533 1.597 -2.713) 18.798 2.551 ( 5.315 -4.306 0.900) 6.899 2.724 ( 4.684 -2.362 -9.804) 11.120 3.206 ( -5.997 0.886 6.430) 8.837 3.357 ( -5.637 2.602 -7.685) 9.880 3.532 ( 4.986 -3.612 3.717) 7.192 3.597 ( 4.024 -6.156 -2.844) 7.885 3.739 ( -3.184 9.301 2.966) 10.269 3.800 ( -3.698 5.000 -3.300) 7.040 4.243 ( -6.775 0.525 2.257) 7.160 4.255 ( -6.088 -0.958 0.874) 6.224 4.464 ( 7.764 -1.201 11.557) 13.974 4.653 ( 1.762 0.303 -7.825) 8.027 4.682 ( 4.279 -2.076 8.674) 9.892 4.863 ( 3.190 -2.538 -9.782) 10.597 5.294 ( 4.186 0.180 5.644) 7.030 5.346 ( 4.637 -2.995 2.298) 5.980 5.446 ( 4.776 0.999 4.752) 6.811 5.583 ( 6.219 -0.564 -8.553) 10.590 6.169 ( -7.988 4.723 12.002) 15.171 6.393 ( -5.655 3.227 -10.586) 12.428 7.070 ( 0.422 1.469 5.916) 6.110 7.152 ( -1.716 1.769 -1.692) 2.990 7.445 ( 1.220 1.464 0.320) 1.932 7.485 ( 7.223 2.917 -4.546) 9.019 8.033 ( -1.690 8.378 14.232) 16.601 8.386 ( -4.060 2.488 -20.580) 21.123 8.795 ( 3.261 2.499 10.631) 11.397 8.889 ( 14.001 -3.116 14.697) 20.536 9.040 ( -3.714 -1.936 -8.180) 9.190 9.302 ( 15.259 -4.381 -19.105) 24.840 13.254 ( -1.163 0.126 10.394) 10.460 13.456 ( -0.593 -0.847 -10.780) 10.829 15.389 ( 1.178 -1.716 7.966) 8.233 15.501 ( 1.012 -0.746 -3.693) 3.901 17.301 ( -20.173 0.309 4.926) 20.768 17.391 ( -18.489 -1.816 -4.582) 19.134 17.847 ( 21.087 -2.539 13.179) 24.996 18.110 ( 19.781 -0.847 -13.873) 24.176 18.414 ( 8.461 -0.743 17.139) 19.128 18.712 ( 3.608 -0.607 -12.675) 13.193 19.627 ( -1.640 0.027 7.634) 7.808 19.816 ( -9.917 0.914 -11.127) 14.933 21.191 ( -10.497 0.972 20.216) 22.800 21.574 ( -8.588 0.457 -19.777) 21.566 23.626 ( -0.198 -1.579 15.971) 16.050 23.933 ( 3.320 -1.350 -15.953) 16.351 47.352 ( -9.803 -0.155 3.953) 10.571 47.428 ( -4.711 -0.076 -3.903) 6.118 48.277 ( 5.418 0.117 4.645) 7.137 48.358 ( 9.304 0.169 -3.689) 10.010 97.977 ( -0.724 0.123 0.474) 0.874 97.980 ( -0.715 0.136 0.167) 0.747 98.578 ( -2.441 -0.117 1.244) 2.742 98.604 ( -1.744 0.070 -1.706) 2.441 99.367 ( 5.196 2.318 3.734) 6.805 99.422 ( 4.616 2.154 -1.201) 5.234 99.823 ( -3.154 -0.536 13.185) 13.568 100.128 ( -2.946 -1.337 -17.945) 18.234 ======================= Grid point 265 (91/100) ======================= q-point: ( 0.44 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 8.753 -0.548 6.529) 10.933 2.569 ( 10.095 2.274 -2.804) 10.721 2.747 ( 8.823 -6.263 -1.615) 10.940 2.812 ( 3.677 -0.273 -6.376) 7.366 3.128 ( -1.872 2.533 4.311) 5.339 3.219 ( -4.334 3.607 -3.350) 6.559 3.523 ( -2.210 10.417 2.569) 10.954 3.554 ( -2.664 9.853 -0.390) 10.214 3.754 ( 5.159 -9.155 1.894) 10.678 3.828 ( 4.924 -8.746 -4.797) 11.124 4.164 ( -3.459 -0.583 3.130) 4.701 4.198 ( -4.258 -1.367 -0.671) 4.522 4.474 ( 0.438 2.683 6.778) 7.302 4.610 ( -1.967 3.194 -6.592) 7.584 4.844 ( 5.484 -4.138 7.189) 9.943 4.964 ( 1.366 -3.470 -5.973) 7.042 5.339 ( 3.593 2.905 3.964) 6.088 5.396 ( 1.808 2.479 -1.220) 3.301 5.549 ( 6.246 -3.573 10.207) 12.489 5.696 ( 6.674 -2.499 -4.859) 8.625 5.954 ( -7.490 7.907 12.566) 16.629 6.226 ( -6.726 7.111 -13.975) 17.062 7.032 ( -1.426 1.908 4.600) 5.180 7.094 ( -1.669 2.419 -2.018) 3.565 7.454 ( 4.078 3.056 2.379) 5.624 7.543 ( 7.693 4.317 -5.528) 10.410 7.885 ( -2.705 6.366 15.664) 17.123 8.259 ( -6.926 2.237 -21.188) 22.404 8.757 ( -0.745 4.138 9.860) 10.720 8.975 ( -1.263 3.505 -13.107) 13.626 9.152 ( 8.880 -5.174 21.783) 24.086 9.561 ( 13.557 -0.729 -20.347) 24.460 13.245 ( -0.253 -0.331 11.183) 11.191 13.469 ( 0.087 -1.469 -12.321) 12.409 15.456 ( 3.221 -2.850 7.204) 8.390 15.550 ( 3.613 -1.210 -2.657) 4.645 16.990 ( -22.086 -1.013 7.692) 23.409 17.135 ( -20.994 -3.916 -7.433) 22.613 18.178 ( 18.425 -1.121 10.356) 21.165 18.336 ( 9.536 1.093 -3.238) 10.130 18.539 ( 7.743 2.480 9.474) 12.484 18.749 ( 2.315 -0.751 -8.076) 8.435 19.648 ( 1.152 0.580 1.343) 1.862 19.758 ( 4.171 -3.313 -9.063) 10.512 21.037 ( -9.626 -0.661 20.648) 22.791 21.443 ( -9.380 -1.094 -21.600) 23.574 23.656 ( 0.287 -2.453 18.473) 18.638 24.006 ( 3.327 -1.990 -17.976) 18.389 47.214 ( -9.712 -1.081 6.545) 11.761 47.350 ( -6.556 -1.117 -7.630) 10.121 48.372 ( 7.786 1.001 7.072) 10.566 48.491 ( 9.613 1.207 -5.398) 11.091 97.964 ( -0.855 0.067 0.349) 0.927 97.966 ( -0.915 0.056 0.124) 0.925 98.562 ( -0.673 -1.047 1.514) 1.960 98.594 ( 0.072 -0.531 -1.904) 1.978 99.397 ( 5.028 3.675 1.414) 6.386 99.425 ( 2.854 4.579 -1.292) 5.548 99.785 ( -3.920 -1.071 14.913) 15.457 100.090 ( -5.290 -1.655 -16.611) 17.511 ======================= Grid point 266 (92/100) ======================= q-point: (-0.44 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 3.471 7.500 6.584) 10.566 2.633 ( 2.913 5.545 -6.333) 8.907 2.784 ( -0.673 3.793 2.771) 4.745 2.852 ( -4.965 2.994 -2.333) 6.249 3.058 ( -2.089 1.356 0.661) 2.576 3.133 ( -4.433 2.444 -5.287) 7.320 3.442 ( 9.077 3.973 2.193) 10.148 3.464 ( 7.877 2.685 -0.255) 8.326 3.954 ( -0.607 -8.344 2.124) 8.632 3.997 ( -2.033 -8.055 -1.592) 8.458 4.180 ( 3.941 -1.480 0.661) 4.262 4.187 ( 1.405 -3.819 1.132) 4.224 4.466 ( 2.904 1.808 3.442) 4.852 4.526 ( -1.217 4.533 -2.399) 5.271 4.883 ( -2.213 2.093 4.157) 5.154 4.966 ( -3.908 0.772 -4.889) 6.307 5.299 ( 0.881 5.564 5.058) 7.571 5.379 ( 2.923 4.972 -0.528) 5.792 5.613 ( -2.951 4.888 13.914) 15.040 5.804 ( 1.095 0.572 4.762) 4.920 5.854 ( 5.918 -4.263 -4.676) 8.663 6.004 ( -5.741 7.787 -14.153) 17.143 6.988 ( -1.054 1.346 3.415) 3.819 7.041 ( -1.130 1.694 -2.465) 3.198 7.471 ( 5.615 4.186 5.061) 8.641 7.591 ( 7.237 3.802 -4.915) 9.539 7.774 ( -3.615 2.594 15.082) 15.725 8.128 ( -7.769 1.126 -19.230) 20.771 8.673 ( -1.278 4.361 9.277) 10.330 8.884 ( -3.066 3.780 -11.746) 12.714 9.299 ( 5.692 0.283 20.225) 21.013 9.701 ( 8.911 4.583 -20.471) 22.792 13.254 ( 0.340 -0.782 11.945) 11.976 13.499 ( 0.646 -1.753 -13.734) 13.861 15.563 ( 4.988 -3.344 6.645) 8.956 15.641 ( 6.020 -1.344 -1.566) 6.364 16.693 ( -19.923 -0.909 10.723) 22.644 16.900 ( -18.537 -3.931 -10.795) 21.808 18.321 ( 1.253 6.206 5.505) 8.390 18.390 ( 4.779 3.743 -0.233) 6.075 18.565 ( 5.810 1.823 13.157) 14.498 18.851 ( 7.685 -0.818 -12.792) 14.945 19.686 ( 4.149 -1.905 11.643) 12.506 19.965 ( 11.162 -5.721 -16.058) 20.377 20.939 ( -7.742 -3.834 20.155) 21.929 21.346 ( -8.498 -4.216 -22.179) 24.123 23.706 ( 0.920 -2.998 20.207) 20.449 24.088 ( 3.460 -2.154 -19.616) 20.035 47.110 ( -7.408 -2.221 8.470) 11.470 47.284 ( -5.538 -2.394 -9.699) 11.422 48.460 ( 6.795 1.986 7.849) 10.570 48.593 ( 7.552 2.328 -6.101) 9.983 97.952 ( -0.764 -0.087 0.259) 0.811 97.954 ( -0.756 -0.132 0.021) 0.767 98.590 ( 0.869 -2.451 1.813) 3.170 98.624 ( 1.712 -1.729 -1.716) 2.977 99.384 ( 1.913 5.268 1.043) 5.701 99.410 ( 4.651 4.184 -1.695) 6.482 99.728 ( -4.979 0.172 14.778) 15.595 100.019 ( -6.884 -0.954 -15.409) 16.904 ======================= Grid point 267 (93/100) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 4.410 13.104 5.442) 14.859 2.473 ( 1.389 15.431 1.120) 15.534 2.634 ( -7.353 9.852 2.199) 12.488 2.735 ( -4.071 -1.364 -4.795) 6.436 2.992 ( -3.850 0.965 -0.922) 4.075 3.041 ( -2.435 1.304 -5.715) 6.347 3.620 ( 10.846 -3.105 2.074) 11.471 3.641 ( 12.240 -3.428 0.169) 12.712 3.925 ( -9.172 -2.116 3.684) 10.108 4.010 ( -7.443 -4.874 -4.386) 9.919 4.295 ( 4.733 0.159 2.875) 5.541 4.330 ( 4.073 -4.548 0.417) 6.119 4.431 ( 1.836 3.241 7.229) 8.132 4.520 ( 3.447 0.198 -2.008) 3.995 4.760 ( -5.346 5.503 3.178) 8.304 4.852 ( -3.827 5.402 -6.490) 9.270 5.225 ( 0.287 5.301 5.786) 7.852 5.324 ( 1.916 7.029 2.936) 7.855 5.425 ( -4.513 9.117 5.053) 11.359 5.680 ( -4.801 10.972 -14.539) 18.837 5.966 ( 2.639 -5.788 3.095) 7.074 6.038 ( 2.975 -6.531 -3.034) 7.791 6.959 ( -0.361 1.393 3.127) 3.442 7.019 ( -0.304 -0.172 -3.253) 3.272 7.505 ( 6.759 3.191 8.890) 11.615 7.646 ( 6.164 2.350 -4.145) 7.791 7.691 ( -5.077 0.335 12.526) 13.520 7.987 ( -7.888 2.308 -15.824) 17.831 8.611 ( -0.122 2.510 6.993) 7.431 8.793 ( -1.828 3.144 -10.343) 10.964 9.311 ( 1.640 5.093 18.350) 19.114 9.688 ( 3.553 9.297 -19.501) 21.894 13.275 ( 0.438 -1.063 12.563) 12.616 13.535 ( 0.673 -1.566 -14.814) 14.912 15.688 ( 5.013 -2.856 6.214) 8.479 15.754 ( 6.389 -0.925 -0.952) 6.525 16.443 ( -13.994 0.204 13.841) 19.684 16.714 ( -12.207 -1.996 -14.159) 18.800 18.181 ( -2.026 9.354 7.787) 12.339 18.303 ( -1.154 8.353 -5.468) 10.050 18.670 ( 5.922 -0.914 13.715) 14.967 18.949 ( 4.731 0.396 -14.163) 14.937 19.804 ( 4.363 -4.374 19.972) 20.905 20.198 ( 7.565 -6.044 -20.298) 22.489 20.934 ( -4.212 -7.708 19.647) 21.521 21.334 ( -4.841 -7.882 -22.011) 23.876 23.765 ( 0.972 -2.789 20.598) 20.809 24.160 ( 2.623 -1.011 -20.706) 20.896 47.069 ( -3.797 -3.519 9.870) 11.145 47.265 ( -2.892 -3.631 -10.697) 11.661 48.505 ( 3.814 2.749 7.795) 9.103 48.638 ( 4.066 3.233 -6.239) 8.119 97.945 ( -0.457 -0.208 0.230) 0.552 97.948 ( -0.446 -0.232 -0.082) 0.509 98.652 ( 1.223 -3.511 2.175) 4.307 98.689 ( 2.034 -2.988 -1.512) 3.918 99.335 ( 1.719 4.868 3.510) 6.243 99.409 ( 3.609 4.551 -4.137) 7.131 99.639 ( -4.907 1.425 14.808) 15.665 99.927 ( -6.043 -0.234 -15.082) 16.249 ======================= Grid point 268 (94/100) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 0.000 17.284 9.272) 19.614 2.373 ( 0.000 9.409 -10.361) 13.996 2.388 ( 0.000 10.187 17.290) 20.068 2.703 ( 0.000 1.764 -14.432) 14.539 2.952 ( 0.000 0.023 2.158) 2.158 3.028 ( -0.000 -1.922 -4.676) 5.056 3.786 ( -0.000 -2.403 2.338) 3.353 3.789 ( 0.000 0.893 11.493) 11.528 3.835 ( -0.000 -2.734 -2.627) 3.792 4.001 ( -0.000 -2.076 -9.948) 10.162 4.193 ( 0.000 9.406 16.378) 18.887 4.409 ( -0.000 -0.675 -2.554) 2.642 4.514 ( -0.000 -5.848 0.076) 5.848 4.568 ( -0.000 -1.833 -5.215) 5.528 4.598 ( 0.000 7.781 5.293) 9.411 4.720 ( 0.000 8.513 -7.569) 11.391 5.164 ( 0.000 3.265 2.712) 4.245 5.242 ( 0.000 6.185 12.950) 14.351 5.256 ( 0.000 7.491 -6.661) 10.024 5.485 ( 0.000 9.364 -12.417) 15.552 6.084 ( -0.000 -7.673 3.883) 8.600 6.166 ( -0.000 -8.135 -3.700) 8.937 6.936 ( 0.000 1.138 4.231) 4.381 7.025 ( -0.000 -0.586 -4.992) 5.026 7.557 ( 0.000 1.743 16.343) 16.436 7.633 ( -0.000 -2.447 4.729) 5.324 7.677 ( 0.000 1.599 -0.139) 1.605 7.868 ( 0.000 2.961 -15.932) 16.205 8.582 ( 0.000 2.181 5.463) 5.882 8.741 ( 0.000 2.698 -10.032) 10.389 9.217 ( 0.000 8.134 16.427) 18.331 9.553 ( 0.000 11.441 -17.346) 20.780 13.296 ( -0.000 -1.305 12.704) 12.771 13.559 ( -0.000 -0.942 -15.158) 15.187 15.761 ( -0.000 -0.413 5.500) 5.515 15.820 ( -0.000 -0.338 -0.882) 0.944 16.316 ( 0.000 1.378 16.028) 16.087 16.627 ( 0.000 0.380 -16.282) 16.286 18.020 ( 0.000 9.984 8.067) 12.835 18.159 ( 0.000 9.318 -6.706) 11.480 18.731 ( -0.000 -1.136 12.242) 12.295 18.976 ( 0.000 0.637 -12.827) 12.843 19.912 ( -0.000 -5.263 22.715) 23.317 20.345 ( -0.000 -6.187 -22.041) 22.893 21.045 ( -0.000 -11.287 19.755) 22.752 21.436 ( -0.000 -10.201 -21.083) 23.421 23.805 ( -0.000 -1.353 18.535) 18.584 24.174 ( 0.000 2.368 -20.184) 20.322 47.103 ( -0.000 -4.864 10.488) 11.560 47.305 ( -0.000 -4.516 -10.729) 11.641 48.489 ( 0.000 3.205 7.323) 7.993 48.616 ( 0.000 3.779 -6.047) 7.131 97.945 ( -0.000 -0.224 0.233) 0.323 97.948 ( -0.000 -0.240 -0.118) 0.268 98.717 ( -0.000 -3.586 2.306) 4.264 98.756 ( -0.000 -3.458 -1.600) 3.810 99.283 ( 0.000 4.437 4.224) 6.126 99.369 ( 0.000 4.641 -4.655) 6.573 99.577 ( 0.000 0.598 15.994) 16.005 99.880 ( -0.000 -0.336 -15.542) 15.546 ======================= Grid point 273 (95/100) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 10.928 -0.000 4.132) 11.683 2.556 ( 3.786 -0.000 -6.053) 7.139 2.731 ( 19.407 -0.000 4.637) 19.954 2.828 ( 9.596 -0.000 -2.916) 10.029 3.168 ( 1.355 -0.000 1.019) 1.695 3.274 ( -5.617 0.000 -8.591) 10.265 3.562 ( 2.413 -0.000 4.899) 5.461 3.634 ( 5.793 -0.000 -1.950) 6.113 3.746 ( -6.178 0.000 1.005) 6.260 3.762 ( -5.110 0.000 -0.533) 5.137 4.157 ( -4.569 0.000 2.328) 5.128 4.165 ( -4.909 0.000 0.944) 4.999 4.557 ( 2.740 -0.000 2.988) 4.054 4.584 ( -3.027 0.000 0.177) 3.032 4.796 ( 6.927 -0.000 4.391) 8.202 4.916 ( 7.152 -0.000 -7.709) 10.516 5.355 ( 3.783 -0.000 3.842) 5.392 5.393 ( 4.129 -0.000 1.496) 4.391 5.525 ( 5.393 -0.000 8.633) 10.179 5.690 ( 7.886 -0.000 -8.372) 11.501 6.074 ( -9.304 0.000 14.746) 17.436 6.322 ( -7.088 0.000 -10.880) 12.985 7.059 ( -2.971 0.000 5.523) 6.271 7.135 ( -1.959 0.000 -2.726) 3.357 7.487 ( 3.125 -0.000 4.888) 5.802 7.612 ( 6.893 -0.000 -8.111) 10.644 8.062 ( -4.082 0.000 8.573) 9.496 8.322 ( -7.324 0.000 -17.307) 18.793 8.810 ( -1.761 0.000 9.024) 9.194 8.952 ( -0.230 0.000 7.526) 7.529 9.114 ( 12.756 -0.000 6.015) 14.103 9.537 ( 18.319 -0.000 -23.951) 30.153 13.240 ( -0.723 0.000 10.365) 10.390 13.443 ( -0.200 0.000 -10.922) 10.924 15.407 ( 2.970 -0.000 8.479) 8.984 15.528 ( 3.421 -0.000 -4.101) 5.341 16.971 ( -22.742 0.000 5.195) 23.328 17.065 ( -21.717 0.000 -4.721) 22.224 18.153 ( 20.383 -0.000 12.608) 23.967 18.347 ( 11.382 -0.000 -3.589) 11.935 18.577 ( 13.905 -0.000 6.139) 15.199 18.736 ( -0.481 0.000 -5.636) 5.657 19.665 ( 7.205 -0.000 -2.448) 7.610 19.707 ( -4.973 0.000 -6.080) 7.855 21.032 ( -11.400 0.000 20.289) 23.272 21.430 ( -10.989 0.000 -21.178) 23.859 23.615 ( 0.193 -0.000 18.837) 18.838 23.970 ( 3.035 -0.000 -18.194) 18.446 47.198 ( -10.214 0.000 6.403) 12.055 47.333 ( -7.250 0.000 -7.693) 10.571 48.387 ( 8.357 -0.000 7.315) 11.107 48.508 ( 10.189 -0.000 -5.447) 11.553 97.965 ( -0.962 0.000 0.363) 1.028 97.968 ( -1.073 0.000 0.134) 1.082 98.547 ( -1.483 0.000 1.938) 2.440 98.586 ( -0.595 0.000 -2.366) 2.440 99.464 ( 5.282 -0.000 2.252) 5.742 99.504 ( 3.658 -0.000 -1.378) 3.909 99.762 ( -3.886 0.000 13.727) 14.266 100.058 ( -4.873 0.000 -16.584) 17.285 ======================= Grid point 274 (96/100) ======================= q-point: ( 0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 2.628 -1.339 3.677) 4.714 2.621 ( 1.479 -2.147 -4.010) 4.783 2.898 ( 9.576 3.523 1.386) 10.297 2.952 ( 5.391 1.680 -3.700) 6.751 3.195 ( 4.503 5.464 -0.251) 7.085 3.233 ( 0.770 3.813 -3.237) 5.061 3.600 ( -4.065 1.130 4.329) 6.045 3.633 ( 1.568 2.821 5.634) 6.493 3.685 ( 0.239 -3.313 -1.914) 3.834 3.762 ( 3.240 -4.935 -4.692) 7.541 4.106 ( -3.320 -1.424 2.551) 4.423 4.121 ( -2.515 -2.021 0.874) 3.342 4.540 ( 3.031 2.731 1.687) 4.414 4.596 ( -0.171 -0.165 -3.952) 3.960 4.888 ( 3.555 -0.849 5.582) 6.672 5.001 ( 3.825 1.610 -6.571) 7.772 5.407 ( 1.590 0.712 1.992) 2.646 5.436 ( 2.602 -1.157 -0.279) 2.861 5.612 ( 5.738 -0.010 13.741) 14.891 5.799 ( 7.644 0.982 -5.247) 9.324 5.917 ( -7.856 2.840 13.897) 16.215 6.187 ( -8.099 3.054 -12.946) 15.573 7.004 ( -3.725 0.018 5.704) 6.813 7.100 ( -1.382 1.424 -4.700) 5.102 7.531 ( 3.427 0.682 7.625) 8.388 7.691 ( 5.944 1.938 -8.055) 10.196 7.947 ( -3.640 5.982 6.990) 9.894 8.190 ( -7.423 2.087 -16.936) 18.609 8.769 ( -2.317 1.586 8.832) 9.267 8.934 ( -2.785 -0.160 -3.685) 4.622 9.300 ( 11.200 0.215 19.149) 22.185 9.777 ( 13.894 0.995 -25.494) 29.051 13.236 ( -0.206 -0.393 10.745) 10.754 13.451 ( 0.129 -1.115 -11.798) 11.851 15.475 ( 4.112 -1.936 8.880) 9.976 15.601 ( 5.489 -0.921 -4.271) 7.016 16.660 ( -19.873 -0.853 6.959) 21.074 16.786 ( -18.495 -2.755 -6.120) 19.675 18.410 ( 13.254 0.117 7.985) 15.474 18.440 ( 3.252 1.232 5.933) 6.877 18.672 ( 0.007 3.807 3.764) 5.354 18.806 ( 10.195 -2.028 -6.780) 12.410 19.674 ( 1.602 0.513 3.063) 3.495 19.838 ( 12.056 -2.556 -12.651) 17.661 20.875 ( -10.180 -0.903 19.367) 21.898 21.268 ( -11.382 -1.207 -21.603) 24.448 23.631 ( 0.362 -1.577 20.940) 21.002 24.022 ( 2.398 -1.556 -19.797) 20.002 47.067 ( -7.963 -0.718 7.974) 11.292 47.236 ( -6.272 -0.819 -9.698) 11.579 48.501 ( 7.311 0.721 8.314) 11.095 48.640 ( 8.086 0.815 -6.290) 10.277 97.951 ( -0.906 0.019 0.187) 0.925 97.952 ( -0.928 -0.033 0.105) 0.935 98.539 ( -0.397 -0.922 2.560) 2.750 98.590 ( 0.505 -0.587 -2.794) 2.899 99.513 ( 1.614 2.865 0.033) 3.288 99.521 ( 4.141 2.477 -0.749) 4.883 99.722 ( -2.391 -0.465 13.343) 13.563 99.988 ( -5.555 -0.865 -14.332) 15.395 ======================= Grid point 275 (97/100) ======================= q-point: (-0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.243 -0.218 4.068) 4.081 2.654 ( 0.020 -1.316 -3.821) 4.042 2.936 ( 4.618 7.180 -0.708) 8.567 2.953 ( 3.601 8.344 -2.431) 9.407 3.074 ( -3.948 8.680 0.986) 9.587 3.117 ( -4.851 5.009 -3.456) 7.783 3.590 ( 5.312 0.114 4.443) 6.926 3.636 ( 7.882 2.247 0.823) 8.238 3.789 ( -3.413 -5.850 2.059) 7.079 3.850 ( -3.470 -4.870 -3.685) 7.024 4.133 ( 0.162 -6.020 4.306) 7.403 4.179 ( 2.781 -5.861 -0.923) 6.553 4.567 ( 5.116 3.288 -0.168) 6.084 4.575 ( 1.166 3.404 -1.642) 3.955 4.879 ( -3.279 2.378 4.065) 5.738 4.978 ( -0.504 3.700 -6.498) 7.494 5.389 ( 1.224 3.400 6.864) 7.757 5.495 ( 4.170 1.985 -1.660) 4.908 5.627 ( -2.787 3.797 16.787) 17.435 5.818 ( 0.597 -0.999 7.388) 7.479 5.898 ( 4.718 -0.155 -6.681) 8.181 6.005 ( -6.751 5.747 -13.538) 16.183 6.964 ( -2.112 -0.820 5.237) 5.706 7.056 ( -0.712 2.152 -4.854) 5.358 7.564 ( 2.566 0.908 9.362) 9.749 7.730 ( 4.531 3.606 -2.025) 6.135 7.816 ( -1.733 5.645 2.656) 6.475 8.062 ( -5.147 2.598 -16.847) 17.806 8.701 ( -1.669 3.090 8.583) 9.274 8.877 ( -2.382 2.236 -6.575) 7.342 9.409 ( 5.278 1.893 21.689) 22.403 9.891 ( 6.752 4.439 -25.469) 26.720 13.245 ( 0.099 -0.892 11.403) 11.438 13.478 ( 0.278 -1.973 -12.994) 13.146 15.577 ( 3.721 -3.665 9.203) 10.582 15.709 ( 5.842 -1.759 -4.539) 7.604 16.425 ( -13.434 -1.091 10.289) 16.957 16.613 ( -11.405 -4.043 -9.227) 15.217 18.402 ( -0.632 5.100 7.315) 8.940 18.497 ( 1.288 4.329 -3.139) 5.500 18.659 ( 4.255 0.479 14.926) 15.528 18.948 ( 5.922 -0.450 -12.311) 13.668 19.724 ( 3.670 -1.083 13.574) 14.103 20.052 ( 9.269 -3.601 -18.724) 21.201 20.779 ( -6.207 -3.139 18.134) 19.422 21.158 ( -7.804 -3.982 -21.308) 23.039 23.671 ( 0.410 -2.943 22.275) 22.472 24.086 ( 1.612 -2.950 -21.003) 21.271 46.993 ( -4.249 -1.655 9.083) 10.164 47.183 ( -3.436 -1.890 -10.740) 11.434 48.569 ( 4.086 1.571 8.518) 9.577 48.714 ( 4.365 1.791 -6.602) 8.114 97.941 ( -0.535 -0.089 0.176) 0.570 97.943 ( -0.487 -0.122 -0.043) 0.504 98.563 ( 0.299 -2.299 2.942) 3.746 98.618 ( 0.949 -1.703 -2.798) 3.410 99.468 ( 0.114 3.697 3.260) 4.930 99.538 ( 3.856 3.743 -3.946) 6.667 99.686 ( -1.885 1.400 11.613) 11.848 99.919 ( -4.805 -0.363 -12.450) 13.350 ======================= Grid point 276 (98/100) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 0.000 1.699 5.820) 6.063 2.675 ( -0.000 -1.815 -4.526) 4.877 2.740 ( 0.000 18.580 1.283) 18.625 2.773 ( 0.000 16.501 -2.294) 16.659 2.979 ( 0.000 1.340 1.445) 1.971 3.049 ( 0.000 1.557 -5.689) 5.899 3.724 ( -0.000 -4.434 5.340) 6.941 3.729 ( -0.000 -1.579 3.201) 3.569 3.771 ( -0.000 -0.110 -1.037) 1.043 3.829 ( -0.000 -5.290 -4.865) 7.187 4.247 ( -0.000 -7.201 4.268) 8.371 4.308 ( -0.000 -6.233 -2.124) 6.585 4.513 ( 0.000 5.296 3.936) 6.598 4.578 ( 0.000 2.229 -3.491) 4.142 4.784 ( 0.000 4.571 5.574) 7.208 4.905 ( 0.000 4.921 -7.214) 8.732 5.325 ( 0.000 6.757 9.262) 11.465 5.476 ( 0.000 8.474 17.255) 19.223 5.490 ( 0.000 5.722 -6.196) 8.434 5.802 ( 0.000 10.216 -16.487) 19.395 5.900 ( -0.000 -5.412 3.854) 6.644 5.984 ( -0.000 -4.157 -3.058) 5.160 6.963 ( -0.000 -0.500 3.370) 3.407 7.022 ( 0.000 1.431 -3.257) 3.557 7.581 ( -0.000 -0.378 9.693) 9.701 7.678 ( 0.000 6.024 13.137) 14.452 7.760 ( 0.000 3.059 -8.443) 8.980 7.970 ( 0.000 3.658 -16.940) 17.330 8.644 ( 0.000 2.745 7.634) 8.112 8.817 ( 0.000 2.837 -7.686) 8.193 9.400 ( 0.000 4.164 20.655) 21.071 9.847 ( 0.000 7.775 -23.541) 24.792 13.261 ( -0.000 -1.111 12.121) 12.171 13.511 ( -0.000 -2.132 -14.147) 14.307 15.670 ( -0.000 -4.387 8.570) 9.628 15.790 ( -0.000 -1.870 -4.167) 4.568 16.328 ( -0.000 -0.500 13.725) 13.734 16.581 ( -0.000 -3.373 -12.553) 12.999 18.295 ( 0.000 7.974 7.941) 11.254 18.410 ( 0.000 7.123 -4.762) 8.568 18.703 ( -0.000 -0.653 14.165) 14.180 18.991 ( 0.000 0.280 -14.072) 14.075 19.785 ( -0.000 -2.863 19.348) 19.559 20.182 ( -0.000 -4.468 -20.875) 21.348 20.798 ( -0.000 -5.733 18.232) 19.112 21.180 ( -0.000 -6.865 -21.542) 22.610 23.723 ( -0.000 -3.528 22.468) 22.743 24.146 ( -0.000 -3.087 -21.617) 21.836 46.994 ( -0.000 -2.656 9.777) 10.131 47.193 ( -0.000 -2.936 -11.098) 11.480 48.571 ( 0.000 2.293 8.310) 8.621 48.713 ( 0.000 2.652 -6.559) 7.075 97.939 ( -0.000 -0.170 0.187) 0.253 97.942 ( -0.000 -0.191 -0.103) 0.217 98.609 ( -0.000 -3.366 2.881) 4.430 98.660 ( -0.000 -2.737 -2.362) 3.615 99.414 ( 0.000 4.084 4.632) 6.175 99.510 ( 0.000 4.547 -5.330) 7.006 99.635 ( 0.000 2.642 12.322) 12.602 99.879 ( 0.000 0.113 -12.889) 12.890 ======================= Grid point 283 (99/100) ======================= q-point: ( 0.44 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.543 -0.000 3.190) 3.236 2.629 ( 1.208 -0.000 -3.970) 4.150 2.984 ( 0.443 -0.000 0.105) 0.455 3.018 ( 4.045 -0.000 -3.606) 5.419 3.312 ( -0.292 0.000 -0.198) 0.353 3.332 ( 3.000 -0.000 -1.962) 3.585 3.512 ( -2.317 0.000 7.723) 8.063 3.665 ( 2.648 -0.000 -7.606) 8.053 3.693 ( 2.459 -0.000 6.650) 7.089 3.791 ( 3.195 -0.000 -2.417) 4.006 4.033 ( -4.014 0.000 3.902) 5.599 4.067 ( -1.524 0.000 0.848) 1.744 4.618 ( 5.008 -0.000 -0.412) 5.025 4.650 ( 5.362 -0.000 -3.946) 6.658 4.905 ( -0.860 0.000 6.940) 6.993 5.047 ( -0.246 0.000 -7.932) 7.936 5.412 ( -0.849 0.000 2.319) 2.470 5.465 ( 3.298 -0.000 -3.128) 4.546 5.685 ( 2.692 -0.000 17.614) 17.818 5.835 ( -4.347 0.000 14.467) 15.106 5.916 ( 5.905 -0.000 -5.931) 8.370 6.097 ( -6.582 0.000 -13.433) 14.959 6.948 ( -3.123 0.000 7.861) 8.459 7.094 ( -0.829 0.000 -7.487) 7.533 7.580 ( 2.354 -0.000 10.395) 10.658 7.782 ( 4.716 -0.000 -8.881) 10.055 7.927 ( -4.530 0.000 2.683) 5.265 8.107 ( -5.189 0.000 -14.808) 15.691 8.753 ( -1.363 0.000 8.522) 8.631 8.910 ( -0.991 0.000 -3.571) 3.706 9.436 ( 6.368 -0.000 21.890) 22.798 9.955 ( 8.162 -0.000 -27.799) 28.972 13.230 ( -0.089 0.000 10.605) 10.606 13.444 ( 0.097 -0.000 -11.771) 11.771 15.517 ( 3.317 -0.000 10.470) 10.983 15.678 ( 5.485 -0.000 -6.286) 8.342 16.405 ( -13.180 0.000 7.996) 15.416 16.540 ( -11.214 0.000 -6.162) 12.796 18.475 ( 0.532 -0.000 6.772) 6.793 18.552 ( 4.754 -0.000 0.744) 4.811 18.682 ( 0.326 -0.000 12.523) 12.527 18.936 ( 7.121 -0.000 -9.715) 12.045 19.715 ( 3.117 -0.000 9.180) 9.695 19.997 ( 10.359 -0.000 -17.807) 20.601 20.735 ( -7.035 0.000 17.375) 18.745 21.100 ( -9.095 0.000 -20.607) 22.525 23.623 ( 0.216 -0.000 22.263) 22.264 24.035 ( 1.198 -0.000 -20.726) 20.760 46.969 ( -4.380 0.000 8.751) 9.786 47.155 ( -3.607 0.000 -10.676) 11.269 48.593 ( 4.193 -0.000 8.743) 9.697 48.740 ( 4.486 -0.000 -6.705) 8.067 97.939 ( -0.611 0.000 0.144) 0.628 97.941 ( -0.521 0.000 -0.014) 0.521 98.528 ( -0.106 0.000 3.320) 3.322 98.593 ( 0.524 -0.000 -3.447) 3.487 99.527 ( -1.286 0.000 3.538) 3.765 99.599 ( 3.305 -0.000 -4.017) 5.202 99.708 ( 0.185 -0.000 9.850) 9.852 99.911 ( -3.889 0.000 -11.063) 11.727 ======================= Grid point 284 (100/100) ======================= q-point: (-0.44 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -0.000 -0.629 3.255) 3.315 2.642 ( -0.000 -0.510 -4.275) 4.305 2.991 ( -0.000 -0.502 1.451) 1.536 3.057 ( -0.000 -0.392 -5.461) 5.475 3.199 ( 0.000 11.269 1.272) 11.341 3.238 ( 0.000 12.490 -2.598) 12.757 3.556 ( -0.000 -5.752 8.377) 10.162 3.713 ( 0.000 0.222 6.485) 6.489 3.726 ( -0.000 -3.088 -8.621) 9.157 3.808 ( 0.000 1.356 -3.056) 3.344 4.036 ( -0.000 -5.132 6.664) 8.412 4.104 ( -0.000 -5.683 -0.562) 5.711 4.640 ( 0.000 3.598 -0.071) 3.598 4.682 ( 0.000 2.817 -4.207) 5.063 4.873 ( 0.000 1.526 6.899) 7.065 5.019 ( 0.000 2.317 -8.437) 8.749 5.411 ( -0.000 -0.629 5.466) 5.502 5.519 ( -0.000 -2.565 -5.145) 5.749 5.670 ( 0.000 3.795 19.433) 19.800 5.807 ( -0.000 -0.104 11.248) 11.248 5.958 ( 0.000 1.042 -4.248) 4.374 6.012 ( 0.000 3.663 -15.650) 16.074 6.930 ( -0.000 -0.926 7.922) 7.976 7.077 ( 0.000 1.325 -7.576) 7.691 7.594 ( 0.000 0.604 11.422) 11.438 7.825 ( 0.000 1.136 -12.424) 12.476 7.846 ( 0.000 3.925 6.841) 7.887 8.055 ( 0.000 1.639 -15.122) 15.211 8.727 ( 0.000 2.033 8.532) 8.771 8.891 ( 0.000 1.588 -4.753) 5.011 9.475 ( 0.000 1.172 22.891) 22.921 9.998 ( 0.000 2.486 -27.840) 27.951 13.234 ( -0.000 -0.591 10.861) 10.878 13.454 ( -0.000 -1.291 -12.230) 12.298 15.561 ( -0.000 -2.274 10.932) 11.166 15.736 ( -0.000 -1.228 -7.359) 7.460 16.304 ( -0.000 -0.669 10.210) 10.232 16.475 ( -0.000 -2.648 -7.646) 8.092 18.457 ( 0.000 2.780 7.029) 7.559 18.557 ( 0.000 2.565 -3.838) 4.616 18.695 ( 0.000 0.059 16.784) 16.784 18.991 ( -0.000 -0.190 -11.640) 11.641 19.745 ( -0.000 -0.281 13.659) 13.662 20.093 ( -0.000 -1.554 -20.216) 20.276 20.692 ( -0.000 -1.691 16.514) 16.601 21.043 ( -0.000 -2.353 -20.059) 20.196 23.638 ( -0.000 -1.747 22.752) 22.819 24.059 ( -0.000 -1.933 -21.157) 21.245 46.943 ( -0.000 -0.849 9.119) 9.158 47.135 ( -0.000 -0.992 -11.002) 11.047 48.618 ( 0.000 0.839 8.780) 8.820 48.767 ( 0.000 0.947 -6.794) 6.860 97.935 ( -0.000 -0.061 0.153) 0.165 97.938 ( -0.000 -0.071 -0.084) 0.110 98.537 ( -0.000 -1.318 3.491) 3.732 98.604 ( -0.000 -0.984 -3.482) 3.618 99.503 ( 0.000 1.667 5.147) 5.410 99.611 ( 0.000 1.926 -6.058) 6.356 99.701 ( 0.000 1.399 8.927) 9.036 99.880 ( -0.000 -0.029 -9.648) 9.649 =================== 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 3/34020 10.0 127.583 176.642 164.945 0.000 0.000 0.000 3/34020 20.0 22.271 27.277 24.962 0.000 0.000 0.000 3/34020 30.0 8.207 9.962 8.763 0.000 0.000 0.000 3/34020 40.0 4.433 5.359 4.720 0.000 0.000 0.000 3/34020 50.0 2.938 3.517 3.151 0.000 0.000 0.000 3/34020 60.0 2.174 2.580 2.356 0.000 0.000 0.000 3/34020 70.0 1.719 2.027 1.886 0.000 0.000 0.000 3/34020 80.0 1.422 1.668 1.579 0.000 0.000 0.000 3/34020 90.0 1.214 1.419 1.366 0.000 0.000 0.000 3/34020 100.0 1.063 1.236 1.209 0.000 0.000 0.000 3/34020 110.0 0.949 1.097 1.090 0.000 0.000 0.000 3/34020 120.0 0.861 0.988 0.997 0.000 0.000 0.000 3/34020 130.0 0.790 0.900 0.922 0.000 0.000 0.000 3/34020 140.0 0.733 0.827 0.860 0.000 0.000 0.000 3/34020 150.0 0.686 0.765 0.809 0.000 0.000 0.000 3/34020 160.0 0.647 0.713 0.765 0.000 0.000 0.000 3/34020 170.0 0.613 0.668 0.728 0.000 0.000 0.000 3/34020 180.0 0.583 0.629 0.695 0.000 0.000 0.000 3/34020 190.0 0.557 0.594 0.666 0.000 0.000 0.000 3/34020 200.0 0.534 0.563 0.640 0.000 0.000 0.000 3/34020 210.0 0.514 0.536 0.617 0.000 0.000 0.000 3/34020 220.0 0.495 0.511 0.595 0.000 0.000 0.000 3/34020 230.0 0.478 0.488 0.576 0.000 0.000 0.000 3/34020 240.0 0.462 0.468 0.558 0.000 0.000 0.000 3/34020 250.0 0.447 0.449 0.541 0.000 0.000 0.000 3/34020 260.0 0.434 0.431 0.526 0.000 0.000 0.000 3/34020 270.0 0.421 0.416 0.511 0.000 0.000 0.000 3/34020 280.0 0.409 0.401 0.497 0.000 0.000 0.000 3/34020 290.0 0.398 0.387 0.484 0.000 0.000 0.000 3/34020 300.0 0.387 0.374 0.472 0.000 0.000 0.000 3/34020 310.0 0.377 0.362 0.460 0.000 0.000 0.000 3/34020 320.0 0.367 0.351 0.449 0.000 0.000 0.000 3/34020 330.0 0.358 0.340 0.439 0.000 0.000 0.000 3/34020 340.0 0.350 0.331 0.428 0.000 0.000 0.000 3/34020 350.0 0.342 0.321 0.419 0.000 0.000 0.000 3/34020 360.0 0.334 0.312 0.409 0.000 0.000 0.000 3/34020 370.0 0.326 0.304 0.401 0.000 0.000 0.000 3/34020 380.0 0.319 0.296 0.392 0.000 0.000 0.000 3/34020 390.0 0.312 0.289 0.384 0.000 0.000 0.000 3/34020 400.0 0.305 0.282 0.376 0.000 0.000 0.000 3/34020 410.0 0.299 0.275 0.368 0.000 0.000 0.000 3/34020 420.0 0.293 0.268 0.361 0.000 0.000 0.000 3/34020 430.0 0.287 0.262 0.354 0.000 0.000 0.000 3/34020 440.0 0.282 0.256 0.347 0.000 0.000 0.000 3/34020 450.0 0.276 0.251 0.341 0.000 0.000 0.000 3/34020 460.0 0.271 0.245 0.335 0.000 0.000 0.000 3/34020 470.0 0.266 0.240 0.329 0.000 0.000 0.000 3/34020 480.0 0.261 0.235 0.323 0.000 0.000 0.000 3/34020 490.0 0.257 0.231 0.317 0.000 0.000 0.000 3/34020 500.0 0.252 0.226 0.312 0.000 0.000 0.000 3/34020 510.0 0.248 0.222 0.306 0.000 0.000 0.000 3/34020 520.0 0.243 0.217 0.301 0.000 0.000 0.000 3/34020 530.0 0.239 0.213 0.296 0.000 0.000 0.000 3/34020 540.0 0.236 0.209 0.292 0.000 0.000 0.000 3/34020 550.0 0.232 0.206 0.287 0.000 0.000 0.000 3/34020 560.0 0.228 0.202 0.282 0.000 0.000 0.000 3/34020 570.0 0.224 0.199 0.278 0.000 0.000 0.000 3/34020 580.0 0.221 0.195 0.274 0.000 0.000 0.000 3/34020 590.0 0.218 0.192 0.270 0.000 0.000 0.000 3/34020 600.0 0.214 0.189 0.266 0.000 0.000 0.000 3/34020 610.0 0.211 0.186 0.262 0.000 0.000 0.000 3/34020 620.0 0.208 0.183 0.258 0.000 0.000 0.000 3/34020 630.0 0.205 0.180 0.255 0.000 0.000 0.000 3/34020 640.0 0.202 0.177 0.251 0.000 0.000 0.000 3/34020 650.0 0.200 0.174 0.248 0.000 0.000 0.000 3/34020 660.0 0.197 0.172 0.244 0.000 0.000 0.000 3/34020 670.0 0.194 0.169 0.241 0.000 0.000 0.000 3/34020 680.0 0.192 0.167 0.238 0.000 0.000 0.000 3/34020 690.0 0.189 0.165 0.235 0.000 0.000 0.000 3/34020 700.0 0.187 0.162 0.232 0.000 0.000 0.000 3/34020 710.0 0.184 0.160 0.229 0.000 0.000 0.000 3/34020 720.0 0.182 0.158 0.226 0.000 0.000 0.000 3/34020 730.0 0.180 0.156 0.223 0.000 0.000 0.000 3/34020 740.0 0.177 0.154 0.221 0.000 0.000 0.000 3/34020 750.0 0.175 0.152 0.218 0.000 0.000 0.000 3/34020 760.0 0.173 0.150 0.215 0.000 0.000 0.000 3/34020 770.0 0.171 0.148 0.213 0.000 0.000 0.000 3/34020 780.0 0.169 0.146 0.211 0.000 0.000 0.000 3/34020 790.0 0.167 0.144 0.208 0.000 0.000 0.000 3/34020 800.0 0.165 0.142 0.206 0.000 0.000 0.000 3/34020 810.0 0.163 0.141 0.204 0.000 0.000 0.000 3/34020 820.0 0.162 0.139 0.201 0.000 0.000 0.000 3/34020 830.0 0.160 0.137 0.199 0.000 0.000 0.000 3/34020 840.0 0.158 0.136 0.197 0.000 0.000 0.000 3/34020 850.0 0.156 0.134 0.195 0.000 0.000 0.000 3/34020 860.0 0.155 0.133 0.193 0.000 0.000 0.000 3/34020 870.0 0.153 0.131 0.191 0.000 0.000 0.000 3/34020 880.0 0.151 0.130 0.189 0.000 0.000 0.000 3/34020 890.0 0.150 0.128 0.187 0.000 0.000 0.000 3/34020 900.0 0.148 0.127 0.185 0.000 0.000 0.000 3/34020 910.0 0.147 0.125 0.183 0.000 0.000 0.000 3/34020 920.0 0.145 0.124 0.182 0.000 0.000 0.000 3/34020 930.0 0.144 0.123 0.180 0.000 0.000 0.000 3/34020 940.0 0.143 0.122 0.178 0.000 0.000 0.000 3/34020 950.0 0.141 0.120 0.177 0.000 0.000 0.000 3/34020 960.0 0.140 0.119 0.175 0.000 0.000 0.000 3/34020 970.0 0.138 0.118 0.173 0.000 0.000 0.000 3/34020 980.0 0.137 0.117 0.172 0.000 0.000 0.000 3/34020 990.0 0.136 0.116 0.170 0.000 0.000 0.000 3/34020 1000.0 0.135 0.114 0.169 0.000 0.000 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:26:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|