----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:30:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.377212080178318 -5.829005565000000 0.000000000000000 b 3.377212080178318 5.829005565000000 0.000000000000000 c -2.264832398843266 0.000000000000000 12.730476724605388 Atomic positions (fractional): *1 Br 0.87064326681111 0.38141901575225 0.12161938632935 79.904 *2 Br 0.21188654379409 0.05299879356666 0.12219993144595 79.904 *3 Br 0.54128280550430 0.70536991705472 0.12282761407988 79.904 4 Br 0.29463008294528 0.45871719449570 0.37717238592012 79.904 5 Br 0.94700120643334 0.78811345620591 0.37780006855405 79.904 6 Br 0.61858098424775 0.12935673318889 0.37838061367065 79.904 7 Br 0.38141901575225 0.87064326681111 0.62161938632935 79.904 8 Br 0.70536991705472 0.54128280550430 0.62282761407988 79.904 9 Br 0.05299879356666 0.21188654379409 0.62219993144595 79.904 10 Br 0.45871719449570 0.29463008294528 0.87717238592012 79.904 11 Br 0.78811345620591 0.94700120643334 0.87780006855405 79.904 12 Br 0.12935673318889 0.61858098424775 0.87838061367065 79.904 *13 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 14 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 *15 Li 0.17887607912225 0.33940314456327 0.00014072614644 6.941 *16 Li 0.58701277921517 0.41298722078483 0.25000000000000 6.941 17 Li 0.66059685543673 0.82112392087775 0.49985927385356 6.941 18 Li 0.33940314456327 0.17887607912225 0.50014072614644 6.941 19 Li 0.41298722078483 0.58701277921517 0.75000000000000 6.941 20 Li 0.82112392087775 0.66059685543673 0.99985927385356 6.941 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.754424160356636 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658011130000000 0.000000000000000 c -2.264832398843266 0.000000000000000 12.730476724605388 Atomic positions (fractional): *1 Br 0.62603114128168 0.75538787447057 0.12161938632935 79.904 > 1 *2 Br 0.13244266868038 0.92055612488628 0.12219993144595 79.904 > 2 *3 Br 0.62332636127951 0.08204355577521 0.12282761407988 79.904 > 3 4 Br 0.37667363872049 0.08204355577521 0.37717238592012 79.904 > 4 5 Br 0.86755733131962 0.92055612488628 0.37780006855405 79.904 > 5 6 Br 0.37396885871832 0.75538787447057 0.37838061367065 79.904 > 6 7 Br 0.62603114128168 0.24461212552943 0.62161938632935 79.904 > 7 8 Br 0.62332636127951 0.91795644422479 0.62282761407988 79.904 > 8 9 Br 0.13244266868038 0.07944387511372 0.62219993144595 79.904 > 9 10 Br 0.37667363872049 0.91795644422479 0.87717238592012 79.904 > 10 11 Br 0.86755733131962 0.07944387511372 0.87780006855405 79.904 > 11 12 Br 0.37396885871832 0.24461212552943 0.87838061367065 79.904 > 12 13 Br 0.12603114128168 0.25538787447057 0.12161938632935 79.904 > 1 14 Br 0.63244266868038 0.42055612488628 0.12219993144595 79.904 > 2 15 Br 0.12332636127951 0.58204355577521 0.12282761407988 79.904 > 3 16 Br 0.87667363872049 0.58204355577521 0.37717238592012 79.904 > 4 17 Br 0.36755733131962 0.42055612488628 0.37780006855405 79.904 > 5 18 Br 0.87396885871832 0.25538787447057 0.37838061367065 79.904 > 6 19 Br 0.12603114128168 0.74461212552943 0.62161938632935 79.904 > 7 20 Br 0.12332636127951 0.41795644422479 0.62282761407988 79.904 > 8 21 Br 0.63244266868038 0.57944387511372 0.62219993144595 79.904 > 9 22 Br 0.87667363872049 0.41795644422479 0.87717238592012 79.904 > 10 23 Br 0.36755733131962 0.57944387511372 0.87780006855405 79.904 > 11 24 Br 0.87396885871832 0.74461212552943 0.87838061367065 79.904 > 12 *25 Er 0.75000000000000 0.25000000000000 0.00000000000000 167.259 > 13 26 Er 0.75000000000000 0.75000000000000 0.50000000000000 167.259 > 14 27 Er 0.25000000000000 0.75000000000000 0.00000000000000 167.259 > 13 28 Er 0.25000000000000 0.25000000000000 0.50000000000000 167.259 > 14 *29 Li 0.25913961184276 0.08026353272051 0.00014072614644 6.941 > 15 *30 Li 0.50000000000000 0.91298722078483 0.25000000000000 6.941 > 16 31 Li 0.74086038815724 0.08026353272051 0.49985927385356 6.941 > 17 32 Li 0.25913961184276 0.91973646727949 0.50014072614644 6.941 > 18 33 Li 0.50000000000000 0.08701277921517 0.75000000000000 6.941 > 19 34 Li 0.74086038815724 0.91973646727949 0.99985927385356 6.941 > 20 35 Li 0.75913961184276 0.58026353272051 0.00014072614644 6.941 > 15 36 Li 0.00000000000000 0.41298722078483 0.25000000000000 6.941 > 16 37 Li 0.24086038815724 0.58026353272051 0.49985927385356 6.941 > 17 38 Li 0.75913961184276 0.41973646727949 0.50014072614644 6.941 > 18 39 Li 0.00000000000000 0.58701277921517 0.75000000000000 6.941 > 19 40 Li 0.24086038815724 0.41973646727949 0.99985927385356 6.941 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.508848320713271 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658011130000000 0.000000000000000 c -2.264832398843266 0.000000000000000 12.730476724605388 Atomic positions (fractional): *1 Br 0.31301557064084 0.75538787447057 0.12161938632935 79.904 > 1 2 Br 0.81301557064084 0.75538787447057 0.12161938632935 79.904 > 1 *3 Br 0.06622133434019 0.92055612488628 0.12219993144595 79.904 > 2 4 Br 0.56622133434019 0.92055612488628 0.12219993144595 79.904 > 2 *5 Br 0.31166318063976 0.08204355577521 0.12282761407988 79.904 > 3 6 Br 0.81166318063976 0.08204355577521 0.12282761407988 79.904 > 3 7 Br 0.18833681936024 0.08204355577521 0.37717238592012 79.904 > 4 8 Br 0.68833681936024 0.08204355577521 0.37717238592012 79.904 > 4 9 Br 0.43377866565981 0.92055612488628 0.37780006855405 79.904 > 5 10 Br 0.93377866565981 0.92055612488628 0.37780006855405 79.904 > 5 11 Br 0.18698442935916 0.75538787447057 0.37838061367065 79.904 > 6 12 Br 0.68698442935916 0.75538787447057 0.37838061367065 79.904 > 6 13 Br 0.31301557064084 0.24461212552943 0.62161938632935 79.904 > 7 14 Br 0.81301557064084 0.24461212552943 0.62161938632935 79.904 > 7 15 Br 0.31166318063976 0.91795644422479 0.62282761407988 79.904 > 8 16 Br 0.81166318063976 0.91795644422479 0.62282761407988 79.904 > 8 17 Br 0.06622133434019 0.07944387511372 0.62219993144595 79.904 > 9 18 Br 0.56622133434019 0.07944387511372 0.62219993144595 79.904 > 9 19 Br 0.18833681936024 0.91795644422479 0.87717238592012 79.904 > 10 20 Br 0.68833681936024 0.91795644422479 0.87717238592012 79.904 > 10 21 Br 0.43377866565981 0.07944387511372 0.87780006855405 79.904 > 11 22 Br 0.93377866565981 0.07944387511372 0.87780006855405 79.904 > 11 23 Br 0.18698442935916 0.24461212552943 0.87838061367065 79.904 > 12 24 Br 0.68698442935916 0.24461212552943 0.87838061367065 79.904 > 12 25 Br 0.06301557064084 0.25538787447057 0.12161938632935 79.904 > 1 26 Br 0.56301557064084 0.25538787447057 0.12161938632935 79.904 > 1 27 Br 0.31622133434019 0.42055612488628 0.12219993144595 79.904 > 2 28 Br 0.81622133434019 0.42055612488628 0.12219993144595 79.904 > 2 29 Br 0.06166318063976 0.58204355577521 0.12282761407988 79.904 > 3 30 Br 0.56166318063976 0.58204355577521 0.12282761407988 79.904 > 3 31 Br 0.43833681936024 0.58204355577521 0.37717238592012 79.904 > 4 32 Br 0.93833681936024 0.58204355577521 0.37717238592012 79.904 > 4 33 Br 0.18377866565981 0.42055612488628 0.37780006855405 79.904 > 5 34 Br 0.68377866565981 0.42055612488628 0.37780006855405 79.904 > 5 35 Br 0.43698442935916 0.25538787447057 0.37838061367065 79.904 > 6 36 Br 0.93698442935916 0.25538787447057 0.37838061367065 79.904 > 6 37 Br 0.06301557064084 0.74461212552943 0.62161938632935 79.904 > 7 38 Br 0.56301557064084 0.74461212552943 0.62161938632935 79.904 > 7 39 Br 0.06166318063976 0.41795644422479 0.62282761407988 79.904 > 8 40 Br 0.56166318063976 0.41795644422479 0.62282761407988 79.904 > 8 41 Br 0.31622133434019 0.57944387511372 0.62219993144595 79.904 > 9 42 Br 0.81622133434019 0.57944387511372 0.62219993144595 79.904 > 9 43 Br 0.43833681936024 0.41795644422479 0.87717238592012 79.904 > 10 44 Br 0.93833681936024 0.41795644422479 0.87717238592012 79.904 > 10 45 Br 0.18377866565981 0.57944387511372 0.87780006855405 79.904 > 11 46 Br 0.68377866565981 0.57944387511372 0.87780006855405 79.904 > 11 47 Br 0.43698442935916 0.74461212552943 0.87838061367065 79.904 > 12 48 Br 0.93698442935916 0.74461212552943 0.87838061367065 79.904 > 12 *49 Er 0.37500000000000 0.25000000000000 0.00000000000000 167.259 > 13 50 Er 0.87500000000000 0.25000000000000 0.00000000000000 167.259 > 13 51 Er 0.37500000000000 0.75000000000000 0.50000000000000 167.259 > 14 52 Er 0.87500000000000 0.75000000000000 0.50000000000000 167.259 > 14 53 Er 0.12500000000000 0.75000000000000 0.00000000000000 167.259 > 13 54 Er 0.62500000000000 0.75000000000000 0.00000000000000 167.259 > 13 55 Er 0.12500000000000 0.25000000000000 0.50000000000000 167.259 > 14 56 Er 0.62500000000000 0.25000000000000 0.50000000000000 167.259 > 14 *57 Li 0.12956980592138 0.08026353272051 0.00014072614644 6.941 > 15 58 Li 0.62956980592138 0.08026353272051 0.00014072614644 6.941 > 15 *59 Li 0.25000000000000 0.91298722078483 0.25000000000000 6.941 > 16 60 Li 0.75000000000000 0.91298722078483 0.25000000000000 6.941 > 16 61 Li 0.37043019407862 0.08026353272051 0.49985927385356 6.941 > 17 62 Li 0.87043019407862 0.08026353272051 0.49985927385356 6.941 > 17 63 Li 0.12956980592138 0.91973646727949 0.50014072614644 6.941 > 18 64 Li 0.62956980592138 0.91973646727949 0.50014072614644 6.941 > 18 65 Li 0.25000000000000 0.08701277921517 0.75000000000000 6.941 > 19 66 Li 0.75000000000000 0.08701277921517 0.75000000000000 6.941 > 19 67 Li 0.37043019407862 0.91973646727949 0.99985927385356 6.941 > 20 68 Li 0.87043019407862 0.91973646727949 0.99985927385356 6.941 > 20 69 Li 0.37956980592138 0.58026353272051 0.00014072614644 6.941 > 15 70 Li 0.87956980592138 0.58026353272051 0.00014072614644 6.941 > 15 71 Li 0.00000000000000 0.41298722078483 0.25000000000000 6.941 > 16 72 Li 0.50000000000000 0.41298722078483 0.25000000000000 6.941 > 16 73 Li 0.12043019407862 0.58026353272051 0.49985927385356 6.941 > 17 74 Li 0.62043019407862 0.58026353272051 0.49985927385356 6.941 > 17 75 Li 0.37956980592138 0.41973646727949 0.50014072614644 6.941 > 18 76 Li 0.87956980592138 0.41973646727949 0.50014072614644 6.941 > 18 77 Li 0.00000000000000 0.58701277921517 0.75000000000000 6.941 > 19 78 Li 0.50000000000000 0.58701277921517 0.75000000000000 6.941 > 19 79 Li 0.12043019407862 0.41973646727949 0.99985927385356 6.941 > 20 80 Li 0.62043019407862 0.41973646727949 0.99985927385356 6.941 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6086248 0.0000000 0.0016265 0.0000000 3.6727296 0.0000000 0.0016021 0.0000000 3.4513141 -------------------------- Born effective charges -------------------------- 1 Br -1.4059575 0.0160519 -0.2286841 0.0502323 -0.9744842 -0.1832960 -0.2266575 -0.1832888 -1.0281969 2 Br -1.1176951 0.2302692 -0.0522356 0.1847160 -1.2848691 -0.2991855 -0.0425458 -0.2911644 -1.0352586 3 Br -1.0264754 -0.4265115 0.2781268 -0.4111637 -1.5024230 0.4714965 0.2729978 0.4728912 -1.0175066 4 Br -1.0264754 0.4265115 0.2781268 0.4111637 -1.5024230 -0.4714965 0.2729978 -0.4728912 -1.0175066 5 Br -1.1176951 -0.2302692 -0.0522356 -0.1847160 -1.2848691 0.2991855 -0.0425458 0.2911644 -1.0352586 6 Br -1.4059575 -0.0160519 -0.2286841 -0.0502323 -0.9744842 0.1832960 -0.2266575 0.1832888 -1.0281969 7 Br -1.4059575 -0.0160519 -0.2286841 -0.0502323 -0.9744842 0.1832960 -0.2266575 0.1832888 -1.0281969 8 Br -1.0264754 0.4265115 0.2781268 0.4111637 -1.5024230 -0.4714965 0.2729978 -0.4728912 -1.0175066 9 Br -1.1176951 -0.2302692 -0.0522356 -0.1847160 -1.2848691 0.2991855 -0.0425458 0.2911644 -1.0352586 10 Br -1.0264754 -0.4265115 0.2781268 -0.4111637 -1.5024230 0.4714965 0.2729978 0.4728912 -1.0175066 11 Br -1.1176951 0.2302692 -0.0522356 0.1847160 -1.2848691 -0.2991855 -0.0425458 -0.2911644 -1.0352586 12 Br -1.4059575 0.0160519 -0.2286841 0.0502323 -0.9744842 -0.1832960 -0.2266575 -0.1832888 -1.0281969 13 Er 3.5227303 0.2684036 0.0115596 0.2546517 3.8193756 0.0104412 -0.0072993 0.0036400 2.9579370 14 Er 3.5227303 -0.2684036 0.0115596 -0.2546517 3.8193756 -0.0104412 -0.0072993 -0.0036400 2.9579370 15 Li 1.2527831 -0.0208404 0.0002368 -0.0170566 1.2342469 0.0040484 0.0038647 0.0058330 0.8114471 16 Li 1.0719595 0.0000000 -0.0064475 0.0000000 1.2356833 0.0000000 -0.0080190 0.0000000 1.5810930 17 Li 1.2527831 0.0208404 0.0002368 0.0170566 1.2342469 -0.0040484 0.0038647 -0.0058330 0.8114471 18 Li 1.2527831 0.0208404 0.0002368 0.0170566 1.2342469 -0.0040484 0.0038647 -0.0058330 0.8114471 19 Li 1.0719595 0.0000000 -0.0064475 0.0000000 1.2356833 0.0000000 -0.0080190 0.0000000 1.5810930 20 Li 1.2527831 -0.0208404 0.0002368 -0.0170566 1.2342469 0.0040484 0.0038647 0.0058330 0.8114471 ---------------------------------------------------------------------------- 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: 8916/8916 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1900 Number of blocks in projector: 1900 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1900, 1851), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (404, 393), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.327 Solver_block: 200 / 640 - Time: 2.333 Solver_block: 300 / 640 - Time: 2.270 Solver_block: 400 / 640 - Time: 2.347 Solver_block: 500 / 640 - Time: 2.253 Solver_block: 600 / 640 - Time: 2.272 Solver_block: 640 / 640 - Time: 0.986 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.012 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 8916/8916 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1900 Number of blocks in projector: 1900 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1900, 1851), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (404, 393), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:31:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:31:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.377212080178318 -5.829005565000000 0.000000000000000 b 3.377212080178318 5.829005565000000 0.000000000000000 c -2.264832398843266 0.000000000000000 12.730476724605388 Atomic positions (fractional): 1 Br 0.87064326681111 0.38141901575225 0.12161938632935 79.904 2 Br 0.21188654379409 0.05299879356666 0.12219993144595 79.904 3 Br 0.54128280550430 0.70536991705472 0.12282761407988 79.904 4 Br 0.29463008294528 0.45871719449570 0.37717238592012 79.904 5 Br 0.94700120643334 0.78811345620591 0.37780006855405 79.904 6 Br 0.61858098424775 0.12935673318889 0.37838061367065 79.904 7 Br 0.38141901575225 0.87064326681111 0.62161938632935 79.904 8 Br 0.70536991705472 0.54128280550430 0.62282761407988 79.904 9 Br 0.05299879356666 0.21188654379409 0.62219993144595 79.904 10 Br 0.45871719449570 0.29463008294528 0.87717238592012 79.904 11 Br 0.78811345620591 0.94700120643334 0.87780006855405 79.904 12 Br 0.12935673318889 0.61858098424775 0.87838061367065 79.904 13 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 14 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 15 Li 0.17887607912225 0.33940314456327 0.00014072614644 6.941 16 Li 0.58701277921517 0.41298722078483 0.25000000000000 6.941 17 Li 0.66059685543673 0.82112392087775 0.49985927385356 6.941 18 Li 0.33940314456327 0.17887607912225 0.50014072614644 6.941 19 Li 0.41298722078483 0.58701277921517 0.75000000000000 6.941 20 Li 0.82112392087775 0.66059685543673 0.99985927385356 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.508848320713271 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658011130000000 0.000000000000000 c -2.264832398843266 0.000000000000000 12.730476724605388 Atomic positions (fractional): 1 Br 0.31301557064084 0.75538787447057 0.12161938632935 79.904 > 1 2 Br 0.81301557064084 0.75538787447057 0.12161938632935 79.904 > 1 3 Br 0.06622133434019 0.92055612488628 0.12219993144595 79.904 > 3 4 Br 0.56622133434019 0.92055612488628 0.12219993144595 79.904 > 3 5 Br 0.31166318063976 0.08204355577521 0.12282761407988 79.904 > 5 6 Br 0.81166318063976 0.08204355577521 0.12282761407988 79.904 > 5 7 Br 0.18833681936024 0.08204355577521 0.37717238592012 79.904 > 7 8 Br 0.68833681936024 0.08204355577521 0.37717238592012 79.904 > 7 9 Br 0.43377866565981 0.92055612488628 0.37780006855405 79.904 > 9 10 Br 0.93377866565981 0.92055612488628 0.37780006855405 79.904 > 9 11 Br 0.18698442935916 0.75538787447057 0.37838061367065 79.904 > 11 12 Br 0.68698442935916 0.75538787447057 0.37838061367065 79.904 > 11 13 Br 0.31301557064084 0.24461212552943 0.62161938632935 79.904 > 13 14 Br 0.81301557064084 0.24461212552943 0.62161938632935 79.904 > 13 15 Br 0.31166318063976 0.91795644422479 0.62282761407988 79.904 > 15 16 Br 0.81166318063976 0.91795644422479 0.62282761407988 79.904 > 15 17 Br 0.06622133434019 0.07944387511372 0.62219993144595 79.904 > 17 18 Br 0.56622133434019 0.07944387511372 0.62219993144595 79.904 > 17 19 Br 0.18833681936024 0.91795644422479 0.87717238592012 79.904 > 19 20 Br 0.68833681936024 0.91795644422479 0.87717238592012 79.904 > 19 21 Br 0.43377866565981 0.07944387511372 0.87780006855405 79.904 > 21 22 Br 0.93377866565981 0.07944387511372 0.87780006855405 79.904 > 21 23 Br 0.18698442935916 0.24461212552943 0.87838061367065 79.904 > 23 24 Br 0.68698442935916 0.24461212552943 0.87838061367065 79.904 > 23 25 Br 0.06301557064084 0.25538787447057 0.12161938632935 79.904 > 1 26 Br 0.56301557064084 0.25538787447057 0.12161938632935 79.904 > 1 27 Br 0.31622133434019 0.42055612488628 0.12219993144595 79.904 > 3 28 Br 0.81622133434019 0.42055612488628 0.12219993144595 79.904 > 3 29 Br 0.06166318063976 0.58204355577521 0.12282761407988 79.904 > 5 30 Br 0.56166318063976 0.58204355577521 0.12282761407988 79.904 > 5 31 Br 0.43833681936024 0.58204355577521 0.37717238592012 79.904 > 7 32 Br 0.93833681936024 0.58204355577521 0.37717238592012 79.904 > 7 33 Br 0.18377866565981 0.42055612488628 0.37780006855405 79.904 > 9 34 Br 0.68377866565981 0.42055612488628 0.37780006855405 79.904 > 9 35 Br 0.43698442935916 0.25538787447057 0.37838061367065 79.904 > 11 36 Br 0.93698442935916 0.25538787447057 0.37838061367065 79.904 > 11 37 Br 0.06301557064084 0.74461212552943 0.62161938632935 79.904 > 13 38 Br 0.56301557064084 0.74461212552943 0.62161938632935 79.904 > 13 39 Br 0.06166318063976 0.41795644422479 0.62282761407988 79.904 > 15 40 Br 0.56166318063976 0.41795644422479 0.62282761407988 79.904 > 15 41 Br 0.31622133434019 0.57944387511372 0.62219993144595 79.904 > 17 42 Br 0.81622133434019 0.57944387511372 0.62219993144595 79.904 > 17 43 Br 0.43833681936024 0.41795644422479 0.87717238592012 79.904 > 19 44 Br 0.93833681936024 0.41795644422479 0.87717238592012 79.904 > 19 45 Br 0.18377866565981 0.57944387511372 0.87780006855405 79.904 > 21 46 Br 0.68377866565981 0.57944387511372 0.87780006855405 79.904 > 21 47 Br 0.43698442935916 0.74461212552943 0.87838061367065 79.904 > 23 48 Br 0.93698442935916 0.74461212552943 0.87838061367065 79.904 > 23 49 Er 0.37500000000000 0.25000000000000 0.00000000000000 167.259 > 49 50 Er 0.87500000000000 0.25000000000000 0.00000000000000 167.259 > 49 51 Er 0.37500000000000 0.75000000000000 0.50000000000000 167.259 > 51 52 Er 0.87500000000000 0.75000000000000 0.50000000000000 167.259 > 51 53 Er 0.12500000000000 0.75000000000000 0.00000000000000 167.259 > 49 54 Er 0.62500000000000 0.75000000000000 0.00000000000000 167.259 > 49 55 Er 0.12500000000000 0.25000000000000 0.50000000000000 167.259 > 51 56 Er 0.62500000000000 0.25000000000000 0.50000000000000 167.259 > 51 57 Li 0.12956980592138 0.08026353272051 0.00014072614644 6.941 > 57 58 Li 0.62956980592138 0.08026353272051 0.00014072614644 6.941 > 57 59 Li 0.25000000000000 0.91298722078483 0.25000000000000 6.941 > 59 60 Li 0.75000000000000 0.91298722078483 0.25000000000000 6.941 > 59 61 Li 0.37043019407862 0.08026353272051 0.49985927385356 6.941 > 61 62 Li 0.87043019407862 0.08026353272051 0.49985927385356 6.941 > 61 63 Li 0.12956980592138 0.91973646727949 0.50014072614644 6.941 > 63 64 Li 0.62956980592138 0.91973646727949 0.50014072614644 6.941 > 63 65 Li 0.25000000000000 0.08701277921517 0.75000000000000 6.941 > 65 66 Li 0.75000000000000 0.08701277921517 0.75000000000000 6.941 > 65 67 Li 0.37043019407862 0.91973646727949 0.99985927385356 6.941 > 67 68 Li 0.87043019407862 0.91973646727949 0.99985927385356 6.941 > 67 69 Li 0.37956980592138 0.58026353272051 0.00014072614644 6.941 > 57 70 Li 0.87956980592138 0.58026353272051 0.00014072614644 6.941 > 57 71 Li 0.00000000000000 0.41298722078483 0.25000000000000 6.941 > 59 72 Li 0.50000000000000 0.41298722078483 0.25000000000000 6.941 > 59 73 Li 0.12043019407862 0.58026353272051 0.49985927385356 6.941 > 61 74 Li 0.62043019407862 0.58026353272051 0.49985927385356 6.941 > 61 75 Li 0.37956980592138 0.41973646727949 0.50014072614644 6.941 > 63 76 Li 0.87956980592138 0.41973646727949 0.50014072614644 6.941 > 63 77 Li 0.00000000000000 0.58701277921517 0.75000000000000 6.941 > 65 78 Li 0.50000000000000 0.58701277921517 0.75000000000000 6.941 > 65 79 Li 0.12043019407862 0.41973646727949 0.99985927385356 6.941 > 67 80 Li 0.62043019407862 0.41973646727949 0.99985927385356 6.941 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6086248 0.0000000 0.0016265 0.0000000 3.6727296 0.0000000 0.0016021 0.0000000 3.4513141 -------------------------- Born effective charges -------------------------- 1 Br -1.4059575 0.0160519 -0.2286841 0.0502323 -0.9744842 -0.1832960 -0.2266575 -0.1832888 -1.0281969 2 Br -1.1176951 0.2302692 -0.0522356 0.1847160 -1.2848691 -0.2991855 -0.0425458 -0.2911644 -1.0352586 3 Br -1.0264754 -0.4265115 0.2781268 -0.4111637 -1.5024230 0.4714965 0.2729978 0.4728912 -1.0175066 4 Br -1.0264754 0.4265115 0.2781268 0.4111637 -1.5024230 -0.4714965 0.2729978 -0.4728912 -1.0175066 5 Br -1.1176951 -0.2302692 -0.0522356 -0.1847160 -1.2848691 0.2991855 -0.0425458 0.2911644 -1.0352586 6 Br -1.4059575 -0.0160519 -0.2286841 -0.0502323 -0.9744842 0.1832960 -0.2266575 0.1832888 -1.0281969 7 Br -1.4059575 -0.0160519 -0.2286841 -0.0502323 -0.9744842 0.1832960 -0.2266575 0.1832888 -1.0281969 8 Br -1.0264754 0.4265115 0.2781268 0.4111637 -1.5024230 -0.4714965 0.2729978 -0.4728912 -1.0175066 9 Br -1.1176951 -0.2302692 -0.0522356 -0.1847160 -1.2848691 0.2991855 -0.0425458 0.2911644 -1.0352586 10 Br -1.0264754 -0.4265115 0.2781268 -0.4111637 -1.5024230 0.4714965 0.2729978 0.4728912 -1.0175066 11 Br -1.1176951 0.2302692 -0.0522356 0.1847160 -1.2848691 -0.2991855 -0.0425458 -0.2911644 -1.0352586 12 Br -1.4059575 0.0160519 -0.2286841 0.0502323 -0.9744842 -0.1832960 -0.2266575 -0.1832888 -1.0281969 13 Er 3.5227303 0.2684036 0.0115596 0.2546517 3.8193756 0.0104412 -0.0072993 0.0036400 2.9579370 14 Er 3.5227303 -0.2684036 0.0115596 -0.2546517 3.8193756 -0.0104412 -0.0072993 -0.0036400 2.9579370 15 Li 1.2527831 -0.0208404 0.0002368 -0.0170566 1.2342469 0.0040484 0.0038647 0.0058330 0.8114471 16 Li 1.0719595 0.0000000 -0.0064475 0.0000000 1.2356833 0.0000000 -0.0080190 0.0000000 1.5810930 17 Li 1.2527831 0.0208404 0.0002368 0.0170566 1.2342469 -0.0040484 0.0038647 -0.0058330 0.8114471 18 Li 1.2527831 0.0208404 0.0002368 0.0170566 1.2342469 -0.0040484 0.0038647 -0.0058330 0.8114471 19 Li 1.0719595 0.0000000 -0.0064475 0.0000000 1.2356833 0.0000000 -0.0080190 0.0000000 1.5810930 20 Li 1.2527831 -0.0208404 0.0002368 -0.0170566 1.2342469 0.0040484 0.0038647 0.0058330 0.8114471 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 3, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 57, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 59, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:31:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:31:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.377212080178318 -5.829005565000000 0.000000000000000 b 3.377212080178318 5.829005565000000 0.000000000000000 c -2.264832398843266 0.000000000000000 12.730476724605388 Atomic positions (fractional): 1 Br 0.87064326681111 0.38141901575225 0.12161938632935 79.904 2 Br 0.21188654379409 0.05299879356666 0.12219993144595 79.904 3 Br 0.54128280550430 0.70536991705472 0.12282761407988 79.904 4 Br 0.29463008294528 0.45871719449570 0.37717238592012 79.904 5 Br 0.94700120643334 0.78811345620591 0.37780006855405 79.904 6 Br 0.61858098424775 0.12935673318889 0.37838061367065 79.904 7 Br 0.38141901575225 0.87064326681111 0.62161938632935 79.904 8 Br 0.70536991705472 0.54128280550430 0.62282761407988 79.904 9 Br 0.05299879356666 0.21188654379409 0.62219993144595 79.904 10 Br 0.45871719449570 0.29463008294528 0.87717238592012 79.904 11 Br 0.78811345620591 0.94700120643334 0.87780006855405 79.904 12 Br 0.12935673318889 0.61858098424775 0.87838061367065 79.904 13 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 14 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 15 Li 0.17887607912225 0.33940314456327 0.00014072614644 6.941 16 Li 0.58701277921517 0.41298722078483 0.25000000000000 6.941 17 Li 0.66059685543673 0.82112392087775 0.49985927385356 6.941 18 Li 0.33940314456327 0.17887607912225 0.50014072614644 6.941 19 Li 0.41298722078483 0.58701277921517 0.75000000000000 6.941 20 Li 0.82112392087775 0.66059685543673 0.99985927385356 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.508848320713271 0.000000000000000 0.000000000000000 b 0.000000000000000 11.658011130000000 0.000000000000000 c -2.264832398843266 0.000000000000000 12.730476724605388 Atomic positions (fractional): 1 Br 0.31301557064084 0.75538787447057 0.12161938632935 79.904 > 1 2 Br 0.81301557064084 0.75538787447057 0.12161938632935 79.904 > 1 3 Br 0.06622133434019 0.92055612488628 0.12219993144595 79.904 > 3 4 Br 0.56622133434019 0.92055612488628 0.12219993144595 79.904 > 3 5 Br 0.31166318063976 0.08204355577521 0.12282761407988 79.904 > 5 6 Br 0.81166318063976 0.08204355577521 0.12282761407988 79.904 > 5 7 Br 0.18833681936024 0.08204355577521 0.37717238592012 79.904 > 7 8 Br 0.68833681936024 0.08204355577521 0.37717238592012 79.904 > 7 9 Br 0.43377866565981 0.92055612488628 0.37780006855405 79.904 > 9 10 Br 0.93377866565981 0.92055612488628 0.37780006855405 79.904 > 9 11 Br 0.18698442935916 0.75538787447057 0.37838061367065 79.904 > 11 12 Br 0.68698442935916 0.75538787447057 0.37838061367065 79.904 > 11 13 Br 0.31301557064084 0.24461212552943 0.62161938632935 79.904 > 13 14 Br 0.81301557064084 0.24461212552943 0.62161938632935 79.904 > 13 15 Br 0.31166318063976 0.91795644422479 0.62282761407988 79.904 > 15 16 Br 0.81166318063976 0.91795644422479 0.62282761407988 79.904 > 15 17 Br 0.06622133434019 0.07944387511372 0.62219993144595 79.904 > 17 18 Br 0.56622133434019 0.07944387511372 0.62219993144595 79.904 > 17 19 Br 0.18833681936024 0.91795644422479 0.87717238592012 79.904 > 19 20 Br 0.68833681936024 0.91795644422479 0.87717238592012 79.904 > 19 21 Br 0.43377866565981 0.07944387511372 0.87780006855405 79.904 > 21 22 Br 0.93377866565981 0.07944387511372 0.87780006855405 79.904 > 21 23 Br 0.18698442935916 0.24461212552943 0.87838061367065 79.904 > 23 24 Br 0.68698442935916 0.24461212552943 0.87838061367065 79.904 > 23 25 Br 0.06301557064084 0.25538787447057 0.12161938632935 79.904 > 1 26 Br 0.56301557064084 0.25538787447057 0.12161938632935 79.904 > 1 27 Br 0.31622133434019 0.42055612488628 0.12219993144595 79.904 > 3 28 Br 0.81622133434019 0.42055612488628 0.12219993144595 79.904 > 3 29 Br 0.06166318063976 0.58204355577521 0.12282761407988 79.904 > 5 30 Br 0.56166318063976 0.58204355577521 0.12282761407988 79.904 > 5 31 Br 0.43833681936024 0.58204355577521 0.37717238592012 79.904 > 7 32 Br 0.93833681936024 0.58204355577521 0.37717238592012 79.904 > 7 33 Br 0.18377866565981 0.42055612488628 0.37780006855405 79.904 > 9 34 Br 0.68377866565981 0.42055612488628 0.37780006855405 79.904 > 9 35 Br 0.43698442935916 0.25538787447057 0.37838061367065 79.904 > 11 36 Br 0.93698442935916 0.25538787447057 0.37838061367065 79.904 > 11 37 Br 0.06301557064084 0.74461212552943 0.62161938632935 79.904 > 13 38 Br 0.56301557064084 0.74461212552943 0.62161938632935 79.904 > 13 39 Br 0.06166318063976 0.41795644422479 0.62282761407988 79.904 > 15 40 Br 0.56166318063976 0.41795644422479 0.62282761407988 79.904 > 15 41 Br 0.31622133434019 0.57944387511372 0.62219993144595 79.904 > 17 42 Br 0.81622133434019 0.57944387511372 0.62219993144595 79.904 > 17 43 Br 0.43833681936024 0.41795644422479 0.87717238592012 79.904 > 19 44 Br 0.93833681936024 0.41795644422479 0.87717238592012 79.904 > 19 45 Br 0.18377866565981 0.57944387511372 0.87780006855405 79.904 > 21 46 Br 0.68377866565981 0.57944387511372 0.87780006855405 79.904 > 21 47 Br 0.43698442935916 0.74461212552943 0.87838061367065 79.904 > 23 48 Br 0.93698442935916 0.74461212552943 0.87838061367065 79.904 > 23 49 Er 0.37500000000000 0.25000000000000 0.00000000000000 167.259 > 49 50 Er 0.87500000000000 0.25000000000000 0.00000000000000 167.259 > 49 51 Er 0.37500000000000 0.75000000000000 0.50000000000000 167.259 > 51 52 Er 0.87500000000000 0.75000000000000 0.50000000000000 167.259 > 51 53 Er 0.12500000000000 0.75000000000000 0.00000000000000 167.259 > 49 54 Er 0.62500000000000 0.75000000000000 0.00000000000000 167.259 > 49 55 Er 0.12500000000000 0.25000000000000 0.50000000000000 167.259 > 51 56 Er 0.62500000000000 0.25000000000000 0.50000000000000 167.259 > 51 57 Li 0.12956980592138 0.08026353272051 0.00014072614644 6.941 > 57 58 Li 0.62956980592138 0.08026353272051 0.00014072614644 6.941 > 57 59 Li 0.25000000000000 0.91298722078483 0.25000000000000 6.941 > 59 60 Li 0.75000000000000 0.91298722078483 0.25000000000000 6.941 > 59 61 Li 0.37043019407862 0.08026353272051 0.49985927385356 6.941 > 61 62 Li 0.87043019407862 0.08026353272051 0.49985927385356 6.941 > 61 63 Li 0.12956980592138 0.91973646727949 0.50014072614644 6.941 > 63 64 Li 0.62956980592138 0.91973646727949 0.50014072614644 6.941 > 63 65 Li 0.25000000000000 0.08701277921517 0.75000000000000 6.941 > 65 66 Li 0.75000000000000 0.08701277921517 0.75000000000000 6.941 > 65 67 Li 0.37043019407862 0.91973646727949 0.99985927385356 6.941 > 67 68 Li 0.87043019407862 0.91973646727949 0.99985927385356 6.941 > 67 69 Li 0.37956980592138 0.58026353272051 0.00014072614644 6.941 > 57 70 Li 0.87956980592138 0.58026353272051 0.00014072614644 6.941 > 57 71 Li 0.00000000000000 0.41298722078483 0.25000000000000 6.941 > 59 72 Li 0.50000000000000 0.41298722078483 0.25000000000000 6.941 > 59 73 Li 0.12043019407862 0.58026353272051 0.49985927385356 6.941 > 61 74 Li 0.62043019407862 0.58026353272051 0.49985927385356 6.941 > 61 75 Li 0.37956980592138 0.41973646727949 0.50014072614644 6.941 > 63 76 Li 0.87956980592138 0.41973646727949 0.50014072614644 6.941 > 63 77 Li 0.00000000000000 0.58701277921517 0.75000000000000 6.941 > 65 78 Li 0.50000000000000 0.58701277921517 0.75000000000000 6.941 > 65 79 Li 0.12043019407862 0.41973646727949 0.99985927385356 6.941 > 67 80 Li 0.62043019407862 0.41973646727949 0.99985927385356 6.941 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6086248 0.0000000 0.0016265 0.0000000 3.6727296 0.0000000 0.0016021 0.0000000 3.4513141 -------------------------- Born effective charges -------------------------- 1 Br -1.4059575 0.0160519 -0.2286841 0.0502323 -0.9744842 -0.1832960 -0.2266575 -0.1832888 -1.0281969 2 Br -1.1176951 0.2302692 -0.0522356 0.1847160 -1.2848691 -0.2991855 -0.0425458 -0.2911644 -1.0352586 3 Br -1.0264754 -0.4265115 0.2781268 -0.4111637 -1.5024230 0.4714965 0.2729978 0.4728912 -1.0175066 4 Br -1.0264754 0.4265115 0.2781268 0.4111637 -1.5024230 -0.4714965 0.2729978 -0.4728912 -1.0175066 5 Br -1.1176951 -0.2302692 -0.0522356 -0.1847160 -1.2848691 0.2991855 -0.0425458 0.2911644 -1.0352586 6 Br -1.4059575 -0.0160519 -0.2286841 -0.0502323 -0.9744842 0.1832960 -0.2266575 0.1832888 -1.0281969 7 Br -1.4059575 -0.0160519 -0.2286841 -0.0502323 -0.9744842 0.1832960 -0.2266575 0.1832888 -1.0281969 8 Br -1.0264754 0.4265115 0.2781268 0.4111637 -1.5024230 -0.4714965 0.2729978 -0.4728912 -1.0175066 9 Br -1.1176951 -0.2302692 -0.0522356 -0.1847160 -1.2848691 0.2991855 -0.0425458 0.2911644 -1.0352586 10 Br -1.0264754 -0.4265115 0.2781268 -0.4111637 -1.5024230 0.4714965 0.2729978 0.4728912 -1.0175066 11 Br -1.1176951 0.2302692 -0.0522356 0.1847160 -1.2848691 -0.2991855 -0.0425458 -0.2911644 -1.0352586 12 Br -1.4059575 0.0160519 -0.2286841 0.0502323 -0.9744842 -0.1832960 -0.2266575 -0.1832888 -1.0281969 13 Er 3.5227303 0.2684036 0.0115596 0.2546517 3.8193756 0.0104412 -0.0072993 0.0036400 2.9579370 14 Er 3.5227303 -0.2684036 0.0115596 -0.2546517 3.8193756 -0.0104412 -0.0072993 -0.0036400 2.9579370 15 Li 1.2527831 -0.0208404 0.0002368 -0.0170566 1.2342469 0.0040484 0.0038647 0.0058330 0.8114471 16 Li 1.0719595 0.0000000 -0.0064475 0.0000000 1.2356833 0.0000000 -0.0080190 0.0000000 1.5810930 17 Li 1.2527831 0.0208404 0.0002368 0.0170566 1.2342469 -0.0040484 0.0038647 -0.0058330 0.8114471 18 Li 1.2527831 0.0208404 0.0002368 0.0170566 1.2342469 -0.0040484 0.0038647 -0.0058330 0.8114471 19 Li 1.0719595 0.0000000 -0.0064475 0.0000000 1.2356833 0.0000000 -0.0080190 0.0000000 1.5810930 20 Li 1.2527831 -0.0208404 0.0002368 -0.0170566 1.2342469 0.0040484 0.0038647 0.0058330 0.8114471 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] 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: 0.52, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 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 0.706 ( 0.000 0.000 0.000) 0.000 0.753 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 6.955 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 10.297 -6.043 7.495) 14.097 0.321 ( 15.222 -5.678 1.367) 16.304 0.565 ( 22.880 -16.111 2.613) 28.105 0.776 ( 6.423 0.424 -1.030) 6.518 0.883 ( 9.917 -10.318 -1.132) 14.356 1.291 ( -2.761 3.334 -1.544) 4.596 1.627 ( 1.260 1.071 0.374) 1.696 1.703 ( -1.701 -0.933 -0.952) 2.161 1.758 ( -1.520 2.669 0.019) 3.072 1.835 ( 2.610 0.786 0.121) 2.729 1.874 ( -0.312 -0.086 -0.232) 0.398 1.935 ( 2.155 -4.349 0.421) 4.872 1.970 ( 0.677 2.100 0.371) 2.237 2.019 ( 1.675 -0.077 -0.551) 1.765 2.090 ( -5.842 3.451 -1.129) 6.878 2.139 ( 0.657 1.181 0.018) 1.352 2.174 ( -0.213 0.554 0.664) 0.891 2.268 ( 1.427 -1.434 1.444) 2.486 2.300 ( 0.352 -2.370 1.237) 2.696 2.337 ( -2.437 -0.112 -1.791) 3.027 2.591 ( -3.724 5.341 -0.129) 6.512 2.638 ( -0.393 5.386 0.978) 5.489 2.682 ( -1.428 5.091 1.659) 5.542 2.698 ( -6.530 -2.316 -0.155) 6.931 2.763 ( -4.742 -1.802 -1.481) 5.285 2.837 ( -1.224 -4.455 -2.160) 5.100 2.982 ( 0.258 -1.050 2.285) 2.528 3.010 ( 1.699 1.251 0.457) 2.159 3.045 ( 2.910 -1.997 0.505) 3.565 3.229 ( -1.507 -0.486 -0.878) 1.811 4.047 ( -0.095 -0.658 -0.644) 0.926 4.110 ( 0.474 1.368 -0.599) 1.567 4.124 ( 0.014 -0.168 0.472) 0.501 4.140 ( -1.154 0.170 0.870) 1.455 4.403 ( 1.959 0.229 -2.268) 3.006 4.483 ( 0.805 -0.006 1.192) 1.438 4.617 ( 0.091 0.436 0.422) 0.613 4.659 ( -2.769 -4.165 -0.735) 5.055 4.835 ( -1.652 1.150 -0.956) 2.228 4.891 ( -1.048 -0.594 0.400) 1.269 4.937 ( -2.634 -3.401 3.476) 5.530 4.952 ( -3.205 -3.906 -3.421) 6.102 5.135 ( 0.546 0.639 -1.112) 1.394 5.212 ( -1.008 2.356 2.729) 3.744 5.247 ( -1.514 -0.122 -0.695) 1.670 5.410 ( 6.188 1.737 4.370) 7.772 5.546 ( -0.302 0.505 -4.695) 4.732 5.616 ( 6.822 -3.555 -8.653) 11.578 6.113 ( -11.036 5.031 8.392) 14.749 6.406 ( -3.177 7.778 9.611) 12.766 6.498 ( 2.104 25.659 -0.766) 25.757 6.973 ( 2.846 5.534 -1.789) 6.475 7.075 ( 3.802 -8.863 -6.880) 11.847 7.299 ( 10.002 0.090 4.183) 10.842 7.888 ( 0.157 -4.624 0.887) 4.711 7.923 ( 4.315 -5.045 1.602) 6.829 8.041 ( 6.190 1.684 -2.183) 6.776 8.368 ( -13.256 -13.239 6.425) 19.807 8.739 ( -1.917 8.495 -9.174) 12.649 8.963 ( -12.366 -10.027 -5.244) 16.762 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 11.489 -6.602 6.093) 14.585 0.608 ( 13.205 -4.344 0.865) 13.928 0.884 ( 8.233 -0.027 -0.802) 8.272 1.061 ( 17.982 -12.087 1.495) 21.718 1.192 ( 7.654 -6.724 -7.121) 12.430 1.216 ( 3.779 -3.525 3.338) 6.152 1.599 ( -2.074 3.757 -1.514) 4.551 1.664 ( -3.022 1.710 0.545) 3.515 1.729 ( -0.819 -1.599 1.262) 2.195 1.859 ( -1.732 2.767 -0.857) 3.375 1.873 ( 1.827 3.448 1.364) 4.134 1.907 ( -4.226 -0.468 -0.698) 4.308 1.980 ( -0.334 1.649 0.373) 1.723 1.997 ( -0.420 2.053 -0.327) 2.121 2.040 ( -0.370 -0.624 -0.816) 1.092 2.122 ( 0.491 -0.614 -0.208) 0.813 2.198 ( 1.600 -0.232 1.054) 1.930 2.279 ( -2.294 2.227 0.331) 3.214 2.297 ( -1.821 -0.437 0.866) 2.063 2.340 ( 2.862 -2.838 0.015) 4.031 2.501 ( -1.996 2.639 0.040) 3.309 2.555 ( -5.336 5.513 -0.407) 7.684 2.577 ( -1.938 5.002 1.691) 5.625 2.613 ( -5.097 -0.770 0.153) 5.157 2.720 ( -0.106 -0.207 -2.979) 2.988 2.843 ( -3.049 -4.209 -0.930) 5.280 2.985 ( -1.194 0.028 1.654) 2.040 3.030 ( 1.758 1.877 1.214) 2.844 3.112 ( 2.626 -1.656 0.557) 3.155 3.197 ( -2.458 -0.652 -1.069) 2.758 4.053 ( 0.005 -1.079 -1.045) 1.502 4.102 ( 0.880 2.083 -0.915) 2.439 4.121 ( -0.969 -0.203 1.705) 1.972 4.132 ( -0.075 -0.497 0.359) 0.618 4.429 ( 1.699 -0.401 -2.101) 2.732 4.507 ( 1.913 0.628 1.998) 2.837 4.619 ( 0.201 0.174 1.711) 1.732 4.648 ( -1.955 -2.185 0.104) 2.934 4.787 ( -2.432 1.679 0.663) 3.029 4.854 ( -4.114 -1.753 -2.242) 5.002 4.914 ( -1.258 -2.023 -1.414) 2.770 4.959 ( 0.244 -1.348 -0.628) 1.508 5.139 ( 2.282 0.959 -4.622) 5.243 5.169 ( -0.253 1.946 5.859) 6.179 5.301 ( 4.123 1.619 0.463) 4.454 5.440 ( -7.549 -3.387 -3.218) 8.878 5.546 ( 4.511 4.494 4.352) 7.713 5.697 ( 3.094 -1.305 -5.032) 6.049 5.918 ( -8.841 1.273 7.090) 11.404 6.248 ( -7.455 1.982 -6.886) 10.341 6.379 ( 4.429 16.709 8.925) 19.454 6.954 ( 1.897 6.339 -0.948) 6.684 7.155 ( -2.391 -10.090 -12.632) 16.343 7.413 ( 3.856 3.504 4.893) 7.147 7.955 ( -3.289 -7.873 3.650) 9.281 8.072 ( 5.649 6.512 6.176) 10.605 8.097 ( 0.517 -8.780 -1.825) 8.982 8.303 ( 0.224 -4.336 -3.590) 5.634 8.535 ( -9.296 10.168 -1.781) 13.891 8.879 ( -3.890 -4.875 -1.381) 6.388 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 10.355 -6.377 4.780) 13.067 0.837 ( 10.277 -2.760 -0.081) 10.641 1.012 ( 7.222 0.176 -0.089) 7.225 1.137 ( -0.950 3.060 -3.842) 5.003 1.393 ( 10.413 -6.582 0.052) 12.319 1.501 ( -0.305 -0.208 -1.464) 1.510 1.543 ( 6.389 -8.303 -0.335) 10.482 1.578 ( -3.521 2.064 1.136) 4.237 1.691 ( -7.450 5.801 0.965) 9.491 1.759 ( -0.274 -3.934 0.723) 4.009 1.875 ( -2.241 1.159 0.237) 2.534 1.901 ( 0.236 3.450 1.003) 3.600 1.916 ( -0.447 1.095 -1.350) 1.795 1.997 ( 0.035 -0.755 0.253) 0.797 2.017 ( 1.157 2.299 -1.294) 2.881 2.158 ( -1.896 -1.307 0.471) 2.350 2.196 ( -1.087 1.064 0.773) 1.706 2.232 ( 1.527 -0.400 0.686) 1.721 2.288 ( 0.104 0.540 0.034) 0.551 2.403 ( -5.043 3.746 -0.616) 6.312 2.411 ( -3.881 5.827 0.098) 7.002 2.437 ( 3.594 -2.266 0.994) 4.364 2.559 ( -1.244 -0.110 0.215) 1.267 2.579 ( 2.119 -0.718 1.029) 2.462 2.738 ( 2.035 -1.005 -2.276) 3.214 2.810 ( -3.945 -1.874 -1.794) 4.721 2.960 ( -1.703 0.594 1.293) 2.219 3.019 ( -1.378 2.095 1.198) 2.779 3.161 ( 1.536 -0.418 1.091) 1.930 3.167 ( -1.311 -1.172 -1.140) 2.096 4.059 ( -0.236 -0.963 -0.772) 1.257 4.095 ( 0.974 2.005 -1.032) 2.456 4.122 ( -0.444 -0.775 1.549) 1.788 4.138 ( 0.352 -0.762 0.281) 0.885 4.448 ( 0.941 0.029 -1.478) 1.753 4.537 ( 1.562 0.885 1.800) 2.542 4.624 ( -1.084 -0.497 3.123) 3.343 4.647 ( 0.199 -1.341 -0.405) 1.415 4.748 ( -0.795 0.104 1.469) 1.674 4.814 ( -1.384 -0.551 -1.540) 2.143 4.922 ( 0.289 -1.617 -1.335) 2.116 4.968 ( -0.254 -0.259 0.568) 0.674 5.138 ( -1.005 1.262 -1.527) 2.222 5.187 ( 3.194 2.190 -1.037) 4.009 5.290 ( -3.890 3.724 -4.880) 7.267 5.362 ( -0.101 -3.094 0.298) 3.110 5.508 ( -2.859 1.901 -2.229) 4.094 5.760 ( 2.095 -1.003 2.884) 3.703 5.858 ( -2.376 -1.079 5.562) 6.143 6.125 ( -3.177 2.725 -3.811) 5.661 6.366 ( 6.626 8.623 8.248) 13.649 6.901 ( -1.322 5.628 -0.402) 5.795 7.092 ( -9.574 -4.063 -13.469) 17.017 7.414 ( -0.711 1.992 2.606) 3.356 7.807 ( -13.473 0.259 6.314) 14.882 8.105 ( 0.021 -4.234 -2.046) 4.702 8.214 ( -1.355 2.270 2.044) 3.342 8.344 ( 0.309 -1.713 3.756) 4.140 8.418 ( 8.948 1.128 -6.466) 11.097 8.898 ( 0.753 -2.715 0.458) 2.854 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 5.688 -4.427 4.190) 8.337 0.991 ( 5.627 -1.204 -1.167) 5.871 1.070 ( -1.903 2.220 -2.383) 3.772 1.112 ( 2.977 0.319 -0.550) 3.044 1.437 ( -0.214 1.087 -1.477) 1.847 1.466 ( -2.567 2.193 0.889) 3.491 1.532 ( -4.796 2.785 0.557) 5.574 1.593 ( 3.070 -2.553 -0.044) 3.993 1.700 ( 0.699 -3.278 0.091) 3.353 1.793 ( -1.393 0.517 -0.041) 1.487 1.829 ( 0.576 -3.777 0.152) 3.824 1.876 ( -0.453 1.716 0.332) 1.806 1.921 ( 1.094 0.658 0.008) 1.277 2.002 ( 0.708 0.710 -0.428) 1.090 2.049 ( 2.082 -0.805 -0.303) 2.252 2.110 ( -1.631 -0.335 0.698) 1.805 2.213 ( 0.144 -1.021 -0.091) 1.035 2.259 ( 0.547 0.458 1.206) 1.401 2.283 ( 1.466 5.613 0.020) 5.802 2.292 ( -3.868 -3.034 -1.493) 5.138 2.307 ( -2.527 3.474 0.315) 4.307 2.534 ( 1.555 0.032 -0.204) 1.568 2.553 ( 3.216 -1.230 1.093) 3.612 2.631 ( 0.205 -1.828 1.270) 2.235 2.735 ( -2.524 1.465 -0.442) 2.952 2.787 ( 1.392 -1.640 -3.327) 3.962 2.928 ( -1.798 0.879 1.659) 2.599 2.977 ( -1.159 0.727 0.234) 1.388 3.156 ( -0.323 -0.153 0.027) 0.359 3.186 ( 0.518 -0.354 0.071) 0.631 4.059 ( -0.206 -0.372 -0.225) 0.481 4.091 ( 0.417 0.857 -0.429) 1.045 4.120 ( -0.433 -0.303 0.346) 0.631 4.160 ( 0.721 -0.613 0.320) 0.999 4.455 ( 0.396 0.136 -0.533) 0.677 4.547 ( 0.229 0.643 0.827) 1.072 4.617 ( -0.708 -0.324 1.064) 1.318 4.666 ( 0.621 -0.496 0.126) 0.805 4.765 ( 0.642 -1.468 1.849) 2.446 4.796 ( -0.466 0.765 -1.301) 1.579 4.940 ( 0.709 -1.130 -1.027) 1.684 4.960 ( -0.654 0.535 0.872) 1.214 5.087 ( -1.892 0.973 -0.493) 2.184 5.189 ( -1.431 4.014 -1.201) 4.427 5.205 ( -0.123 -1.148 -1.830) 2.164 5.403 ( 0.522 -2.577 -2.486) 3.618 5.500 ( 3.757 1.449 -0.908) 4.128 5.783 ( -4.197 -6.792 3.910) 8.890 5.834 ( 0.542 5.201 0.623) 5.266 6.061 ( -0.865 1.917 -0.874) 2.277 6.499 ( 11.696 2.021 9.336) 15.101 6.782 ( -9.492 2.593 -6.303) 11.685 6.896 ( -6.628 0.770 -4.326) 7.952 7.396 ( -0.472 0.095 0.042) 0.483 7.675 ( -4.487 -0.948 2.489) 5.218 8.045 ( -3.391 1.348 -0.635) 3.704 8.205 ( 1.497 0.460 0.202) 1.579 8.445 ( 0.936 -5.188 4.602) 6.998 8.500 ( 4.667 2.721 -4.902) 7.295 8.931 ( 0.644 -0.889 0.300) 1.137 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 13.283 0.000 6.996) 15.013 0.591 ( 16.865 0.000 0.417) 16.870 0.891 ( 19.278 0.000 1.645) 19.348 0.943 ( 12.804 0.000 0.291) 12.808 1.024 ( 14.895 0.000 -1.463) 14.967 1.250 ( -2.703 -0.000 -3.002) 4.040 1.650 ( 0.041 0.000 0.590) 0.592 1.650 ( -3.462 -0.000 -1.183) 3.658 1.741 ( -2.122 -0.000 -0.137) 2.126 1.827 ( -1.536 -0.000 0.448) 1.600 1.917 ( 1.471 0.000 0.568) 1.577 1.934 ( -4.412 -0.000 -0.914) 4.506 1.994 ( 0.443 0.000 0.814) 0.927 2.009 ( 0.288 0.000 2.276) 2.294 2.043 ( 0.901 0.000 -1.789) 2.003 2.134 ( -2.835 -0.000 -0.894) 2.972 2.193 ( 2.752 0.000 1.658) 3.212 2.280 ( -0.477 -0.000 0.043) 0.479 2.299 ( -0.115 -0.000 -1.837) 1.841 2.314 ( 0.476 0.000 2.598) 2.642 2.544 ( -5.589 -0.000 -0.545) 5.616 2.559 ( -5.774 -0.000 0.300) 5.782 2.643 ( -3.652 -0.000 1.609) 3.990 2.643 ( -3.243 -0.000 0.229) 3.252 2.750 ( -0.681 -0.000 1.497) 1.644 2.759 ( -1.717 -0.000 -5.396) 5.663 2.983 ( -0.092 -0.000 1.987) 1.989 3.061 ( 1.914 0.000 -0.078) 1.916 3.083 ( 2.941 0.000 2.179) 3.660 3.188 ( -2.727 -0.000 -1.647) 3.186 4.041 ( 0.094 0.000 -1.010) 1.014 4.120 ( -1.003 -0.000 1.947) 2.190 4.127 ( -0.430 -0.000 0.307) 0.528 4.127 ( 1.047 0.000 -1.133) 1.543 4.424 ( 1.550 0.000 -2.237) 2.721 4.513 ( 1.945 0.000 2.064) 2.836 4.619 ( -0.816 -0.000 1.153) 1.413 4.623 ( -0.148 -0.000 1.752) 1.759 4.806 ( -1.327 -0.000 -1.459) 1.973 4.843 ( -4.322 -0.000 -0.070) 4.323 4.883 ( -0.601 -0.000 -0.593) 0.845 4.940 ( 0.794 0.000 -3.099) 3.199 5.145 ( 0.620 0.000 -1.744) 1.851 5.202 ( 0.299 0.000 5.856) 5.863 5.299 ( 1.967 0.000 3.393) 3.922 5.415 ( -4.257 -0.000 -3.557) 5.547 5.605 ( 6.949 0.000 6.177) 9.298 5.685 ( 3.430 0.000 -10.262) 10.820 5.932 ( -12.592 -0.000 9.642) 15.860 6.264 ( -7.727 -0.000 -8.827) 11.731 6.646 ( -4.188 -0.000 10.866) 11.645 6.915 ( -5.156 -0.000 -5.805) 7.764 7.122 ( 3.947 0.000 -5.044) 6.404 7.470 ( 7.812 0.000 -1.935) 8.049 7.835 ( -3.181 -0.000 4.197) 5.266 7.896 ( 1.381 0.000 -3.658) 3.910 8.171 ( -10.646 -0.000 12.223) 16.209 8.266 ( 15.469 0.000 -7.374) 17.136 8.699 ( -12.744 -0.000 3.678) 13.264 8.784 ( 2.688 0.000 -7.957) 8.398 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 12.703 -1.872 5.780) 14.081 0.844 ( 14.652 2.044 0.196) 14.796 1.057 ( 9.381 3.491 -0.432) 10.018 1.193 ( -0.872 2.043 -5.370) 5.811 1.260 ( 14.032 -5.055 0.202) 14.916 1.307 ( 12.108 -9.214 1.049) 15.252 1.573 ( -3.687 2.308 -1.185) 4.508 1.633 ( -2.716 0.914 0.091) 2.867 1.698 ( -1.986 0.477 1.352) 2.449 1.786 ( -8.934 2.327 0.083) 9.232 1.818 ( -2.611 -4.572 0.107) 5.266 1.872 ( -5.798 -0.832 0.176) 5.860 2.010 ( -0.460 3.871 0.988) 4.022 2.027 ( 1.941 2.022 1.106) 3.013 2.070 ( 2.510 1.673 -1.657) 3.442 2.109 ( 0.466 -2.679 0.037) 2.720 2.220 ( -0.761 0.618 0.944) 1.361 2.263 ( -1.438 3.448 -0.072) 3.736 2.273 ( -0.573 -0.844 -0.417) 1.102 2.361 ( 2.529 -4.670 1.534) 5.527 2.467 ( -3.384 1.182 -0.279) 3.596 2.487 ( -1.979 1.683 -0.466) 2.639 2.584 ( -2.253 2.201 0.694) 3.225 2.594 ( -0.693 1.440 1.205) 2.001 2.726 ( 1.428 0.041 -4.251) 4.485 2.767 ( -0.870 -2.237 0.869) 2.553 2.978 ( -0.761 0.811 1.254) 1.676 3.065 ( -0.784 2.175 1.142) 2.579 3.132 ( 0.406 -1.030 -0.785) 1.357 3.146 ( -0.956 -1.615 0.475) 1.936 4.045 ( 0.437 -0.388 -0.993) 1.152 4.112 ( -0.554 -0.133 2.285) 2.355 4.121 ( -0.285 0.162 0.045) 0.331 4.141 ( 1.637 0.953 -1.251) 2.270 4.444 ( 1.288 -0.328 -1.818) 2.252 4.547 ( 1.328 0.236 2.040) 2.446 4.614 ( -0.800 -0.444 1.717) 1.946 4.630 ( 0.240 -0.345 2.702) 2.735 4.772 ( -1.480 1.941 -0.059) 2.441 4.802 ( -0.439 -0.907 -1.193) 1.562 4.885 ( 0.219 -1.678 -1.444) 2.224 4.954 ( 0.981 -0.765 -1.731) 2.131 5.148 ( 0.378 -0.031 -1.329) 1.382 5.214 ( -4.833 1.513 -2.441) 5.622 5.287 ( 2.465 -2.329 1.924) 3.899 5.393 ( 2.781 2.493 -1.823) 4.156 5.586 ( -5.852 6.206 -3.888) 9.375 5.713 ( -5.022 -4.362 7.155) 9.769 5.860 ( 4.154 0.596 5.782) 7.145 6.160 ( -2.001 0.872 -6.883) 7.221 6.549 ( -1.670 9.760 7.607) 12.486 6.873 ( -5.589 -10.098 -6.443) 13.219 7.061 ( -6.653 4.588 -5.113) 9.563 7.495 ( -0.060 5.704 -5.087) 7.644 7.779 ( -15.765 -1.525 8.702) 18.071 7.882 ( -2.877 -14.019 2.054) 14.458 8.140 ( 3.950 -2.261 2.452) 5.170 8.438 ( 0.918 2.134 -3.304) 4.039 8.544 ( 7.204 8.546 0.365) 11.183 8.845 ( 3.117 -2.790 -1.899) 4.595 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 8.838 -1.980 4.814) 10.257 1.027 ( 10.922 4.106 -0.500) 11.679 1.133 ( 0.745 3.925 -3.707) 5.450 1.157 ( 4.607 3.778 -0.850) 6.018 1.460 ( 3.378 -3.752 -0.627) 5.087 1.485 ( -1.400 0.339 0.067) 1.442 1.544 ( -3.297 1.696 0.242) 3.715 1.554 ( 2.259 -4.931 -0.951) 5.507 1.623 ( -4.650 1.246 1.125) 4.944 1.709 ( -0.719 -5.161 0.503) 5.236 1.774 ( -6.114 -2.451 0.673) 6.621 1.841 ( -2.802 -7.070 0.010) 7.605 1.947 ( -0.739 4.540 -0.210) 4.605 2.029 ( 0.363 2.229 0.310) 2.280 2.097 ( 2.319 1.141 -0.086) 2.586 2.106 ( -2.113 0.809 0.104) 2.265 2.197 ( 0.552 -0.264 -0.196) 0.643 2.229 ( -3.982 -1.696 -1.126) 4.472 2.284 ( 3.113 2.037 0.699) 3.786 2.394 ( 0.486 3.910 0.552) 3.979 2.425 ( -1.562 5.608 -0.110) 5.823 2.490 ( 4.503 -3.244 1.282) 5.696 2.540 ( -1.525 0.374 0.273) 1.593 2.612 ( 1.864 -0.806 0.164) 2.038 2.750 ( 1.167 -0.796 -4.755) 4.961 2.779 ( 2.070 1.530 2.307) 3.457 2.955 ( -0.738 1.566 1.022) 2.010 3.005 ( -3.212 2.022 1.021) 3.930 3.130 ( -0.844 -2.040 -1.418) 2.624 3.172 ( 0.361 -1.171 1.511) 1.945 4.053 ( 0.450 -0.052 -0.245) 0.515 4.102 ( -0.978 0.209 0.387) 1.073 4.129 ( 0.672 0.008 1.243) 1.413 4.159 ( 2.322 1.221 -1.111) 2.849 4.458 ( 0.687 0.140 -1.214) 1.402 4.556 ( -0.686 0.151 1.293) 1.471 4.614 ( 0.035 0.010 1.710) 1.710 4.652 ( 0.529 -0.904 2.511) 2.721 4.752 ( 0.554 0.500 0.466) 0.880 4.808 ( 0.582 0.075 -1.666) 1.767 4.906 ( 0.376 -2.199 -1.516) 2.698 4.964 ( 0.021 0.043 -0.414) 0.417 5.095 ( -4.222 -0.061 -2.279) 4.798 5.175 ( 1.714 -1.042 -2.384) 3.116 5.309 ( -5.433 6.421 -8.710) 12.108 5.392 ( 6.915 1.910 3.211) 7.860 5.517 ( 0.721 0.374 5.794) 5.850 5.660 ( -4.705 -6.393 1.038) 8.005 5.947 ( 5.061 5.978 2.832) 8.329 6.110 ( -1.248 2.285 -2.729) 3.771 6.518 ( 2.365 1.248 7.068) 7.557 6.789 ( -18.312 -4.492 -9.897) 21.295 6.859 ( -5.134 -1.097 -0.156) 5.252 7.404 ( -4.263 -1.843 -7.704) 8.996 7.580 ( -10.104 -1.179 9.715) 14.066 7.996 ( -0.315 -10.459 1.670) 10.596 8.207 ( 0.957 1.590 1.649) 2.483 8.396 ( 1.527 1.460 5.030) 5.455 8.647 ( 10.566 9.245 -5.306) 15.009 8.910 ( 2.521 -1.876 -1.816) 3.629 ======================= Grid point 13 (9/95) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 2.032 -0.317 3.875) 4.387 1.057 ( -2.541 5.299 -2.798) 6.509 1.103 ( 4.377 6.498 -1.328) 7.947 1.160 ( -0.501 5.475 0.301) 5.506 1.446 ( -2.204 1.732 1.586) 3.220 1.451 ( 0.743 0.845 -0.910) 1.447 1.493 ( -0.521 -0.929 -0.518) 1.185 1.564 ( -1.287 -4.728 -0.456) 4.921 1.683 ( 1.367 -4.250 0.077) 4.465 1.733 ( -2.673 -4.631 0.435) 5.365 1.779 ( 0.276 -7.043 -0.906) 7.107 1.855 ( -3.529 -5.536 1.224) 6.679 1.921 ( 2.137 2.867 -0.441) 3.603 1.987 ( -2.783 2.050 0.163) 3.461 2.086 ( 0.224 -1.890 0.375) 1.940 2.137 ( 2.633 2.944 -1.031) 4.082 2.174 ( -3.251 -3.677 -0.620) 4.947 2.205 ( -0.013 0.023 -0.752) 0.752 2.309 ( 1.459 3.933 0.422) 4.216 2.341 ( -0.127 6.043 0.178) 6.047 2.384 ( 3.313 5.126 0.648) 6.138 2.522 ( -2.518 -1.162 0.775) 2.879 2.543 ( -1.133 -1.486 -0.083) 1.871 2.668 ( 4.191 0.564 -2.092) 4.718 2.734 ( 0.030 2.276 -0.105) 2.279 2.818 ( 2.233 1.460 1.890) 3.269 2.930 ( 0.176 0.940 0.649) 1.156 2.973 ( 0.187 0.063 0.025) 0.199 3.133 ( -0.793 -2.212 -1.007) 2.557 3.184 ( -0.384 -0.723 0.950) 1.255 4.059 ( 0.006 -0.022 0.962) 0.962 4.088 ( -0.375 0.224 -0.213) 0.486 4.141 ( 1.024 0.979 0.775) 1.615 4.176 ( 1.203 1.579 -1.178) 2.309 4.455 ( -0.391 0.299 -0.157) 0.517 4.539 ( -1.329 -0.227 -0.202) 1.363 4.625 ( 1.203 0.440 -0.112) 1.286 4.668 ( -0.292 -0.278 2.026) 2.066 4.772 ( 0.918 -0.427 0.032) 1.013 4.803 ( 0.531 0.874 -1.260) 1.623 4.931 ( 0.537 -2.428 -1.802) 3.070 4.954 ( -0.837 0.280 0.436) 0.985 5.066 ( 0.260 -0.906 -0.012) 0.942 5.151 ( -4.038 0.518 -4.356) 5.962 5.241 ( 5.626 1.989 -4.284) 7.346 5.450 ( -6.774 -1.381 4.806) 8.420 5.491 ( 2.979 3.700 11.214) 12.179 5.758 ( 6.523 -2.836 -3.587) 7.966 5.921 ( 2.593 7.198 -5.335) 9.327 6.061 ( -1.732 2.486 2.177) 3.731 6.425 ( -18.167 -5.607 -10.166) 21.560 6.703 ( 5.455 -6.233 9.497) 12.601 6.827 ( -0.807 -4.231 1.089) 4.443 7.385 ( -1.120 -8.087 -10.211) 13.074 7.530 ( -2.388 -4.489 6.898) 8.570 8.066 ( -1.305 -6.043 1.921) 6.473 8.187 ( 1.268 5.490 1.966) 5.967 8.435 ( 0.134 -0.092 5.001) 5.004 8.653 ( 3.271 10.249 -3.534) 11.324 8.951 ( 2.714 0.930 -3.036) 4.177 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -6.274 8.214 -2.782) 10.704 0.962 ( -4.618 9.467 1.489) 10.638 1.058 ( -4.251 4.623 -0.049) 6.281 1.105 ( 1.193 0.925 1.527) 2.147 1.432 ( -0.700 -1.006 1.510) 1.945 1.482 ( 0.295 -0.933 0.414) 1.063 1.547 ( -1.009 -0.181 -0.771) 1.283 1.571 ( 4.724 -5.645 -1.357) 7.485 1.727 ( 0.095 3.564 -0.273) 3.575 1.770 ( 0.414 -6.834 -0.289) 6.853 1.796 ( -2.157 -3.000 -1.018) 3.833 1.831 ( -3.492 -0.929 1.295) 3.839 1.922 ( -3.491 0.261 0.526) 3.540 1.959 ( 3.768 -0.023 0.298) 3.780 2.095 ( 0.024 4.116 0.404) 4.136 2.133 ( 2.092 -2.034 -1.449) 3.258 2.197 ( -1.062 -1.502 -0.341) 1.871 2.212 ( 0.397 -4.901 -1.440) 5.124 2.259 ( -1.072 2.926 0.781) 3.212 2.335 ( 1.763 0.257 -1.350) 2.235 2.409 ( 4.025 3.016 1.960) 5.398 2.458 ( -3.696 0.632 -0.555) 3.790 2.560 ( 1.878 -0.343 -0.093) 1.912 2.624 ( -3.508 3.577 -1.045) 5.118 2.756 ( 0.347 0.874 0.661) 1.149 2.842 ( 3.709 1.837 3.351) 5.325 2.960 ( 2.568 0.242 -1.455) 2.961 2.989 ( 1.059 -1.158 -0.391) 1.618 3.139 ( -0.838 -2.194 -0.899) 2.514 3.183 ( -0.107 0.061 0.716) 0.726 4.059 ( -0.950 -1.036 1.653) 2.170 4.084 ( 0.513 1.032 -0.211) 1.172 4.149 ( 0.901 1.161 0.369) 1.515 4.159 ( -0.167 2.202 -1.554) 2.700 4.445 ( -0.747 -0.148 0.432) 0.876 4.518 ( -1.552 -0.778 -1.124) 2.068 4.636 ( 0.693 0.678 -2.753) 2.919 4.666 ( 0.152 0.548 2.093) 2.169 4.762 ( -0.267 0.900 -2.850) 3.001 4.830 ( 3.250 1.100 1.873) 3.909 4.940 ( -0.378 0.272 0.503) 0.686 4.953 ( -0.068 -1.798 -1.452) 2.312 5.103 ( 0.200 -2.247 5.004) 5.489 5.114 ( -0.704 -3.573 -5.356) 6.477 5.280 ( -1.727 1.468 5.929) 6.348 5.402 ( 3.946 -0.326 -2.384) 4.622 5.531 ( 2.504 5.294 8.767) 10.543 5.778 ( -1.042 1.187 -4.058) 4.355 5.912 ( 0.556 4.678 -3.292) 5.747 6.066 ( 3.154 -3.350 1.925) 4.988 6.220 ( -9.182 -6.551 -9.812) 14.950 6.791 ( -1.841 -5.445 1.724) 6.001 7.030 ( 10.237 -10.001 10.851) 17.961 7.407 ( 1.313 -0.916 -9.361) 9.496 7.648 ( 3.377 -15.038 1.516) 15.487 8.062 ( -7.064 -5.681 1.279) 9.154 8.189 ( 4.398 3.856 0.260) 5.855 8.414 ( -1.446 3.820 4.179) 5.844 8.557 ( -1.620 10.083 -1.008) 10.262 8.964 ( 3.239 4.295 -2.670) 6.006 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -8.008 11.699 -3.580) 14.622 0.771 ( -6.017 11.812 -0.035) 13.256 0.943 ( -3.489 5.901 0.856) 6.909 1.134 ( 0.669 -2.771 2.403) 3.728 1.285 ( -10.639 10.110 -0.408) 14.683 1.497 ( -7.856 11.544 1.211) 14.016 1.528 ( -0.475 0.447 0.392) 0.761 1.610 ( 3.250 -2.917 -1.677) 4.677 1.727 ( 4.926 -7.781 -0.799) 9.244 1.769 ( -2.896 -0.507 -0.602) 3.002 1.817 ( 0.027 -0.502 -1.531) 1.612 1.877 ( 2.107 -7.194 1.147) 7.584 1.897 ( -0.182 -2.950 2.231) 3.704 2.031 ( 3.530 0.397 0.956) 3.679 2.049 ( -0.530 3.500 -0.676) 3.604 2.161 ( -2.252 2.000 -0.191) 3.018 2.212 ( -0.177 -0.936 0.147) 0.963 2.217 ( 1.890 -1.413 -0.869) 2.515 2.270 ( 1.247 -4.170 -1.476) 4.596 2.366 ( -1.794 -2.354 -0.556) 3.011 2.441 ( 3.086 -1.107 -0.930) 3.408 2.471 ( 3.638 -1.367 1.867) 4.312 2.528 ( -3.329 0.606 -0.967) 3.519 2.616 ( 3.645 -0.860 0.821) 3.834 2.741 ( 0.417 1.863 1.711) 2.564 2.902 ( 3.953 1.937 0.785) 4.472 2.987 ( 1.744 0.397 -1.077) 2.088 3.001 ( -1.363 -1.317 -0.869) 2.085 3.126 ( -2.227 -0.403 -0.373) 2.294 3.202 ( 2.028 -0.229 0.464) 2.093 4.061 ( -1.038 -1.938 1.159) 2.485 4.078 ( 0.197 1.534 0.759) 1.723 4.138 ( 0.602 1.455 -1.634) 2.269 4.147 ( 0.158 1.145 -0.298) 1.193 4.433 ( -1.157 -0.085 1.012) 1.540 4.492 ( -2.059 -0.727 -1.175) 2.480 4.620 ( -0.489 0.345 -2.194) 2.275 4.678 ( 1.137 0.702 0.750) 1.532 4.764 ( 1.819 -0.587 -1.846) 2.658 4.898 ( 5.571 2.514 2.861) 6.749 4.941 ( 1.895 0.883 1.960) 2.866 4.962 ( -0.079 -1.496 -1.370) 2.030 5.103 ( -2.432 -2.324 2.894) 4.437 5.147 ( 0.821 -0.986 -0.311) 1.320 5.248 ( -3.340 -2.750 2.765) 5.135 5.483 ( -3.098 -1.848 -4.483) 5.754 5.541 ( 9.022 6.693 1.929) 11.398 5.741 ( -0.430 3.506 2.051) 4.084 5.889 ( 2.852 -1.869 -1.810) 3.861 6.110 ( -7.251 -9.055 -4.123) 12.312 6.227 ( 6.893 -2.024 -1.890) 7.429 6.809 ( -4.207 -8.192 1.311) 9.302 7.252 ( 2.376 -1.467 10.788) 11.144 7.407 ( 2.577 1.211 -7.156) 7.702 7.833 ( -4.882 -16.541 -0.985) 17.274 8.012 ( -0.397 -2.743 -2.703) 3.871 8.197 ( -1.020 1.351 -1.255) 2.107 8.400 ( 0.991 3.690 3.494) 5.177 8.456 ( 3.469 4.990 1.986) 6.394 8.979 ( 6.091 6.030 -1.083) 8.639 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -5.986 13.069 -3.977) 14.915 0.547 ( -5.002 15.105 -0.620) 15.924 0.845 ( -0.869 7.290 0.955) 7.404 0.946 ( -11.777 20.318 -0.806) 23.498 1.148 ( -11.129 16.949 0.768) 20.291 1.197 ( 1.401 -5.340 0.944) 5.600 1.587 ( 0.573 -2.957 0.846) 3.129 1.687 ( 1.904 -4.327 -1.324) 4.909 1.731 ( -0.207 1.471 0.478) 1.561 1.795 ( -2.326 -2.974 -1.199) 3.961 1.855 ( 1.334 -3.346 1.027) 3.746 1.950 ( 2.025 -1.174 0.597) 2.416 1.985 ( 2.575 -5.345 0.057) 5.934 2.001 ( -0.530 1.509 -0.265) 1.621 2.051 ( -1.147 2.291 1.336) 2.889 2.116 ( -0.045 0.089 -0.178) 0.204 2.181 ( -0.953 1.667 -0.280) 1.941 2.278 ( 0.186 -2.059 -1.223) 2.402 2.318 ( 1.124 -2.448 0.273) 2.708 2.341 ( 0.102 1.729 -0.345) 1.766 2.495 ( 1.135 -3.797 0.062) 3.964 2.534 ( 0.295 -5.071 -0.187) 5.083 2.560 ( 2.314 -4.715 -0.096) 5.253 2.719 ( 5.686 -3.815 1.287) 6.967 2.764 ( 3.814 1.587 0.647) 4.181 2.915 ( -0.641 3.006 0.349) 3.093 2.978 ( -0.720 -0.602 -1.323) 1.622 3.006 ( 0.964 0.380 -0.508) 1.154 3.078 ( -2.862 1.218 -0.198) 3.116 3.239 ( 1.758 0.107 0.449) 1.817 4.066 ( -0.232 -0.016 0.266) 0.353 4.073 ( -0.168 -0.924 1.090) 1.439 4.133 ( -0.076 0.904 -0.758) 1.182 4.142 ( 0.986 0.363 -0.671) 1.247 4.410 ( -1.626 0.774 1.451) 2.313 4.470 ( -0.964 -1.117 -1.259) 1.940 4.610 ( -0.193 -0.239 -0.838) 0.893 4.694 ( 1.181 -0.031 0.689) 1.368 4.806 ( 1.824 -1.556 -0.589) 2.468 4.919 ( 0.560 1.461 0.746) 1.733 4.963 ( -0.104 -0.238 -0.674) 0.723 5.050 ( 6.486 2.748 4.396) 8.303 5.125 ( 4.950 0.980 2.117) 5.472 5.171 ( 3.202 -1.693 -1.599) 3.959 5.235 ( -0.569 -1.275 3.902) 4.144 5.361 ( -9.403 -1.943 -3.842) 10.342 5.605 ( 3.925 5.901 -0.224) 7.091 5.690 ( -2.716 4.330 4.204) 6.618 5.985 ( -9.104 -6.789 -10.842) 15.701 6.108 ( 8.137 -10.799 -0.815) 13.546 6.357 ( 4.416 -3.563 1.045) 5.769 6.824 ( -4.623 -9.867 1.196) 10.962 7.214 ( -4.474 4.736 5.672) 8.639 7.357 ( -5.039 5.016 -3.923) 8.120 7.837 ( -4.708 -7.469 1.856) 9.022 7.970 ( -5.098 -0.080 -6.074) 7.930 8.167 ( 1.871 11.017 1.390) 11.261 8.442 ( 6.138 -4.355 0.195) 7.528 8.583 ( 4.633 -6.881 2.611) 8.696 9.074 ( 11.151 3.316 1.377) 11.715 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( 0.000 13.477 -0.000) 13.477 0.342 ( 0.000 17.700 -0.000) 17.700 0.572 ( 0.000 28.917 -0.000) 28.917 0.778 ( 0.000 6.790 -0.000) 6.790 0.894 ( 0.000 13.189 -0.000) 13.189 1.271 ( -0.000 -6.047 0.000) 6.047 1.605 ( -0.000 -1.026 0.000) 1.026 1.715 ( -0.000 -1.138 0.000) 1.138 1.767 ( -0.000 -2.429 0.000) 2.429 1.778 ( -0.000 -1.039 0.000) 1.039 1.871 ( -0.000 -0.739 0.000) 0.739 1.962 ( 0.000 4.734 -0.000) 4.734 1.982 ( 0.000 0.823 -0.000) 0.823 1.987 ( 0.000 0.959 -0.000) 0.959 2.083 ( -0.000 -5.243 0.000) 5.243 2.147 ( -0.000 -3.610 0.000) 3.610 2.155 ( 0.000 1.107 -0.000) 1.107 2.272 ( 0.000 1.384 -0.000) 1.384 2.323 ( 0.000 1.525 -0.000) 1.525 2.362 ( -0.000 -1.701 0.000) 1.701 2.565 ( -0.000 -6.442 0.000) 6.442 2.581 ( -0.000 -4.650 0.000) 4.650 2.622 ( -0.000 -5.483 0.000) 5.483 2.808 ( 0.000 2.734 -0.000) 2.734 2.837 ( -0.000 -1.255 0.000) 1.255 2.860 ( -0.000 -2.286 0.000) 2.286 2.971 ( 0.000 0.668 -0.000) 0.668 3.016 ( 0.000 1.226 -0.000) 1.226 3.021 ( 0.000 1.715 -0.000) 1.715 3.251 ( 0.000 0.689 -0.000) 0.689 4.058 ( 0.000 1.116 -0.000) 1.116 4.090 ( -0.000 -2.145 0.000) 2.145 4.125 ( 0.000 0.345 -0.000) 0.345 4.151 ( 0.000 0.024 -0.000) 0.024 4.386 ( 0.000 0.907 -0.000) 0.907 4.472 ( -0.000 -1.018 0.000) 1.018 4.611 ( -0.000 -0.492 0.000) 0.492 4.721 ( -0.000 -1.530 0.000) 1.530 4.832 ( -0.000 -0.947 0.000) 0.947 4.910 ( 0.000 1.549 -0.000) 1.549 4.955 ( 0.000 1.457 -0.000) 1.457 5.107 ( -0.000 -2.246 0.000) 2.246 5.188 ( -0.000 -0.150 0.000) 0.150 5.207 ( 0.000 1.906 -0.000) 1.906 5.226 ( -0.000 -2.548 0.000) 2.548 5.453 ( -0.000 -1.701 0.000) 1.701 5.510 ( 0.000 4.372 -0.000) 4.372 5.622 ( 0.000 3.996 -0.000) 3.996 5.784 ( -0.000 -0.739 0.000) 0.739 6.316 ( -0.000 -2.584 0.000) 2.584 6.444 ( -0.000 -11.129 0.000) 11.129 6.874 ( -0.000 -9.818 0.000) 9.818 7.116 ( 0.000 10.457 -0.000) 10.457 7.214 ( 0.000 4.436 -0.000) 4.436 7.836 ( -0.000 -1.780 0.000) 1.780 7.909 ( 0.000 1.323 -0.000) 1.323 8.076 ( 0.000 9.433 -0.000) 9.433 8.566 ( -0.000 -4.510 0.000) 4.510 8.695 ( -0.000 -6.898 0.000) 6.898 9.227 ( -0.000 -3.857 0.000) 3.857 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 9.913 0.000 4.977) 11.092 1.085 ( 12.618 0.000 -0.245) 12.621 1.176 ( -0.254 -0.000 -5.936) 5.941 1.223 ( 8.109 0.000 -0.245) 8.113 1.395 ( 4.781 0.000 1.737) 5.087 1.420 ( 6.665 0.000 -1.565) 6.846 1.527 ( -2.855 -0.000 -0.051) 2.855 1.588 ( -3.254 -0.000 -0.774) 3.345 1.645 ( -8.507 -0.000 -0.019) 8.507 1.686 ( -1.270 -0.000 2.255) 2.588 1.731 ( -4.434 -0.000 0.991) 4.543 1.748 ( -7.539 -0.000 0.021) 7.539 2.014 ( -1.173 -0.000 0.429) 1.249 2.029 ( -1.330 -0.000 -0.879) 1.594 2.102 ( -0.419 -0.000 1.499) 1.556 2.119 ( -0.035 -0.000 -0.900) 0.901 2.202 ( -0.391 -0.000 0.408) 0.565 2.208 ( -3.138 -0.000 -2.585) 4.066 2.334 ( 4.918 0.000 0.110) 4.919 2.383 ( 3.254 0.000 3.268) 4.612 2.470 ( 1.156 0.000 0.222) 1.177 2.490 ( 0.674 0.000 -0.728) 0.992 2.551 ( -3.007 -0.000 -0.053) 3.007 2.599 ( 1.398 0.000 0.012) 1.398 2.740 ( 3.189 0.000 -4.970) 5.905 2.800 ( 3.249 0.000 3.971) 5.131 2.974 ( -0.723 -0.000 0.309) 0.786 3.031 ( -4.742 -0.000 1.128) 4.874 3.105 ( -0.498 -0.000 -1.951) 2.014 3.154 ( 0.346 0.000 2.104) 2.132 4.054 ( 1.098 0.000 -0.838) 1.381 4.103 ( -1.304 -0.000 1.264) 1.816 4.125 ( 0.618 0.000 1.452) 1.578 4.179 ( 2.811 0.000 -1.566) 3.217 4.458 ( 1.236 0.000 -1.745) 2.139 4.557 ( -1.026 -0.000 1.745) 2.024 4.616 ( 0.439 0.000 1.201) 1.279 4.640 ( 0.091 0.000 4.476) 4.477 4.771 ( 0.194 0.000 -0.571) 0.603 4.799 ( 0.673 0.000 -1.335) 1.495 4.880 ( 0.284 0.000 -2.057) 2.076 4.964 ( 0.758 0.000 -1.209) 1.427 5.093 ( -4.745 -0.000 -4.070) 6.252 5.165 ( 2.704 0.000 -1.560) 3.122 5.365 ( -0.653 -0.000 -1.870) 1.981 5.464 ( 3.887 0.000 0.201) 3.892 5.538 ( -11.252 -0.000 15.198) 18.910 5.543 ( 4.428 0.000 -11.587) 12.405 6.019 ( 8.378 0.000 8.188) 11.714 6.125 ( -1.330 -0.000 -7.168) 7.290 6.567 ( -4.206 -0.000 9.253) 10.164 6.678 ( -11.950 -0.000 -13.171) 17.784 6.864 ( -12.235 -0.000 0.632) 12.252 7.362 ( -17.223 -0.000 -4.280) 17.747 7.627 ( -3.133 -0.000 4.008) 5.088 7.839 ( 3.157 0.000 5.460) 6.307 8.214 ( 4.640 0.000 0.218) 4.645 8.427 ( -0.551 -0.000 4.887) 4.918 8.772 ( 12.722 0.000 -5.031) 13.681 8.865 ( 0.980 0.000 -1.953) 2.185 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 4.166 0.002 4.064) 5.820 1.141 ( -0.422 2.635 -4.898) 5.578 1.226 ( 6.038 5.798 -0.693) 8.400 1.306 ( 6.034 6.965 1.099) 9.281 1.427 ( -2.432 -3.044 0.383) 3.915 1.477 ( -1.353 1.113 -0.145) 1.758 1.502 ( -1.739 1.587 -0.470) 2.401 1.531 ( -1.641 -0.332 -1.031) 1.966 1.568 ( 0.782 -5.839 -0.376) 5.903 1.647 ( -3.969 -2.887 -0.336) 4.920 1.657 ( -2.956 -2.754 1.821) 4.432 1.726 ( -2.584 -6.753 1.916) 7.480 1.984 ( 0.692 3.112 -0.323) 3.205 2.025 ( -1.305 0.204 -0.618) 1.459 2.055 ( -2.478 -0.077 0.401) 2.512 2.103 ( -2.123 -2.587 -0.276) 3.358 2.175 ( -0.592 0.345 -2.420) 2.515 2.217 ( 1.494 0.525 -0.609) 1.697 2.393 ( 3.794 4.535 1.676) 6.146 2.454 ( 2.868 0.944 1.035) 3.192 2.456 ( -0.291 4.153 0.382) 4.180 2.488 ( -2.829 -1.414 -0.141) 3.166 2.515 ( 0.021 -1.530 -0.283) 1.556 2.660 ( 5.341 -0.548 -1.534) 5.584 2.792 ( 3.546 2.187 -1.804) 4.540 2.848 ( 2.436 1.816 1.620) 3.443 2.951 ( -3.396 0.852 3.146) 4.707 2.966 ( -0.687 -0.973 -0.516) 1.298 3.095 ( -0.998 -1.133 -1.179) 1.915 3.162 ( -0.550 -1.134 1.255) 1.779 4.068 ( 0.386 0.832 0.284) 0.960 4.086 ( -0.575 -0.549 0.050) 0.797 4.144 ( 0.751 -0.167 1.691) 1.858 4.217 ( 2.826 1.682 -1.513) 3.620 4.466 ( 0.361 0.608 -1.537) 1.692 4.535 ( -1.784 -0.187 1.018) 2.062 4.630 ( 1.117 0.119 0.619) 1.282 4.659 ( 0.126 -0.490 4.168) 4.198 4.777 ( 1.395 1.157 -0.315) 1.839 4.804 ( 0.254 -0.763 -2.391) 2.522 4.879 ( -0.274 -2.192 -1.848) 2.880 4.958 ( -1.088 0.151 0.028) 1.099 5.057 ( 0.397 -0.144 -0.964) 1.052 5.189 ( -5.025 2.178 -3.209) 6.347 5.278 ( 6.047 2.006 -8.862) 10.914 5.394 ( -10.442 -3.204 9.569) 14.521 5.572 ( 7.577 3.123 7.185) 10.899 5.719 ( 12.749 -1.315 -4.299) 13.519 6.038 ( -2.088 4.781 -7.424) 9.073 6.145 ( 3.517 3.955 6.250) 8.190 6.313 ( -24.009 -4.518 -9.204) 26.107 6.565 ( -1.410 -6.008 10.499) 12.179 6.796 ( -0.191 0.752 -2.753) 2.861 7.130 ( -12.612 -10.872 -1.892) 16.758 7.579 ( -0.964 3.660 0.093) 3.786 7.929 ( 0.476 -5.417 4.151) 6.841 8.259 ( 1.457 1.158 -0.613) 1.959 8.464 ( 3.472 1.917 6.833) 7.901 8.814 ( -0.665 5.589 -2.280) 6.073 8.952 ( 7.822 -0.814 -4.716) 9.170 ======================= Grid point 22 (16/95) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -1.784 3.179 1.697) 4.021 1.081 ( -0.389 4.735 -0.741) 4.808 1.175 ( -3.067 7.435 -0.000) 8.043 1.255 ( 0.481 12.229 -0.491) 12.248 1.422 ( -1.174 -0.987 1.562) 2.189 1.456 ( -0.493 -1.423 1.229) 1.944 1.502 ( 1.539 -1.275 -1.631) 2.580 1.523 ( 2.421 -0.770 -1.807) 3.118 1.636 ( -1.088 -6.673 -0.061) 6.761 1.673 ( 2.128 -4.878 -0.561) 5.351 1.709 ( -0.023 -6.980 1.836) 7.217 1.772 ( 0.603 -5.662 1.205) 5.820 1.956 ( -3.137 2.583 -0.948) 4.173 1.983 ( 2.173 1.923 -0.351) 2.923 2.073 ( 0.853 -2.758 0.113) 2.889 2.102 ( -1.325 -3.245 -1.048) 3.659 2.161 ( -0.062 -0.067 -0.651) 0.657 2.218 ( 0.069 1.894 -1.330) 2.315 2.343 ( -3.343 4.742 0.353) 5.812 2.388 ( -2.597 3.962 -1.457) 4.956 2.462 ( 1.543 1.955 0.896) 2.647 2.486 ( 0.271 1.977 1.720) 2.634 2.549 ( 2.652 -0.611 0.167) 2.727 2.699 ( -2.569 3.532 -2.734) 5.153 2.774 ( 2.266 1.683 0.374) 2.847 2.887 ( 2.280 2.750 3.273) 4.845 2.941 ( 1.569 -2.451 -0.652) 2.982 2.979 ( 0.324 -0.470 0.780) 0.967 3.091 ( -0.983 -2.279 -0.692) 2.576 3.169 ( -0.284 -1.373 0.310) 1.436 4.051 ( -1.378 0.110 1.240) 1.857 4.099 ( 1.310 0.323 -0.597) 1.475 4.156 ( 0.040 0.054 1.187) 1.189 4.220 ( 0.890 3.160 -1.387) 3.563 4.451 ( -0.622 0.966 -0.688) 1.339 4.513 ( -1.206 0.039 -0.003) 1.206 4.647 ( 0.759 0.401 -1.778) 1.974 4.671 ( 0.083 0.026 2.745) 2.746 4.773 ( -0.260 0.488 -2.526) 2.586 4.840 ( 3.532 -0.195 2.866) 4.553 4.904 ( 0.426 -3.069 -2.452) 3.952 4.940 ( -0.836 -0.303 0.265) 0.928 5.069 ( -3.655 -0.121 -5.205) 6.361 5.081 ( 1.871 -0.704 0.727) 2.128 5.285 ( -8.467 -1.745 8.250) 11.949 5.408 ( 10.620 2.132 -1.951) 11.006 5.667 ( 3.670 7.470 9.303) 12.482 5.802 ( -0.234 1.442 -8.919) 9.038 5.976 ( -12.147 -3.931 0.825) 12.794 6.027 ( 6.759 2.425 -6.650) 9.787 6.160 ( -0.691 3.052 -2.194) 3.822 6.693 ( -1.615 -7.656 5.491) 9.559 6.801 ( 3.874 -8.267 5.473) 10.644 7.178 ( 0.478 -19.387 -6.849) 20.567 7.534 ( -1.664 1.260 -0.352) 2.116 7.954 ( -4.394 -4.767 2.504) 6.950 8.245 ( -1.170 1.328 -1.885) 2.586 8.518 ( 4.607 5.641 6.701) 9.897 8.707 ( -4.851 5.449 -0.585) 7.318 9.044 ( 6.578 3.470 -3.933) 8.413 ======================= Grid point 23 (17/95) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -4.698 10.945 -0.959) 11.950 1.007 ( -2.926 11.393 0.561) 11.776 1.061 ( -1.153 3.552 2.408) 4.444 1.155 ( -0.220 7.690 -0.566) 7.714 1.414 ( -1.216 3.134 1.121) 3.544 1.468 ( 0.207 -1.840 0.092) 1.853 1.563 ( 1.983 -1.892 -1.288) 3.028 1.576 ( 3.678 -5.089 -1.093) 6.373 1.701 ( -0.713 -5.200 -0.494) 5.272 1.730 ( 0.368 -6.070 1.767) 6.333 1.761 ( -2.255 5.357 -0.035) 5.813 1.810 ( 3.406 -2.908 0.521) 4.509 1.877 ( -3.034 2.428 -1.086) 4.035 2.015 ( 2.122 -0.681 -0.071) 2.230 2.107 ( -0.585 -0.553 -0.424) 0.910 2.126 ( 1.324 -3.863 0.418) 4.105 2.174 ( -0.288 -1.524 0.660) 1.686 2.190 ( 0.724 -0.254 -2.520) 2.635 2.261 ( -2.524 1.987 0.483) 3.248 2.316 ( -1.803 0.028 -1.245) 2.192 2.459 ( 0.732 1.316 -1.081) 1.853 2.493 ( 2.208 2.402 2.457) 4.084 2.575 ( -4.780 3.789 -1.674) 6.325 2.599 ( 1.771 -0.405 1.159) 2.155 2.782 ( 0.579 2.102 0.601) 2.262 2.926 ( 3.517 0.881 0.781) 3.709 2.971 ( -1.356 -2.071 -0.218) 2.485 2.993 ( 1.271 0.007 -0.134) 1.278 3.098 ( -1.100 -2.187 0.096) 2.450 3.188 ( 1.259 -1.227 -0.196) 1.769 4.035 ( -1.193 -0.694 1.061) 1.740 4.107 ( 0.627 1.345 0.204) 1.498 4.152 ( -0.336 0.160 -0.128) 0.394 4.191 ( 0.079 3.027 -0.994) 3.187 4.431 ( -0.700 0.260 -0.498) 0.897 4.490 ( -1.522 0.477 0.128) 1.600 4.632 ( -0.708 0.792 -2.282) 2.517 4.680 ( 0.021 -0.311 0.383) 0.494 4.762 ( 0.625 0.280 -2.075) 2.186 4.911 ( 0.086 -2.707 1.211) 2.967 4.931 ( 0.488 0.018 0.697) 0.851 4.957 ( 6.439 0.737 2.685) 7.015 5.050 ( 0.328 -3.003 -3.335) 4.499 5.127 ( 1.242 -0.949 3.430) 3.770 5.210 ( -4.569 -1.490 4.869) 6.841 5.475 ( -3.378 1.138 -3.070) 4.704 5.666 ( 9.919 4.388 1.547) 10.956 5.816 ( 2.433 1.869 0.427) 3.098 5.851 ( -4.187 0.851 -0.109) 4.274 6.031 ( -4.649 1.656 -4.658) 6.786 6.204 ( 8.434 -0.095 -2.304) 8.744 6.669 ( -5.810 -5.726 0.309) 8.163 7.091 ( 7.832 -14.774 10.248) 19.612 7.378 ( 6.027 -10.109 -10.599) 15.838 7.509 ( -5.091 -9.894 1.864) 11.282 7.914 ( -5.693 -5.812 0.207) 8.138 8.196 ( -2.149 0.108 -3.014) 3.703 8.544 ( 4.620 8.699 5.777) 11.419 8.565 ( -5.457 5.434 0.924) 7.756 9.092 ( 6.012 5.275 -2.365) 8.341 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -3.966 14.577 -1.288) 15.162 0.837 ( -2.163 14.558 -0.137) 14.718 1.012 ( 0.809 8.908 1.235) 9.029 1.115 ( -1.020 -1.271 1.683) 2.343 1.295 ( -0.804 14.777 -1.408) 14.866 1.489 ( -8.078 13.843 0.922) 16.054 1.529 ( -0.001 0.155 -0.255) 0.298 1.608 ( 0.971 -3.293 -0.687) 3.501 1.685 ( -0.194 -6.515 -0.768) 6.563 1.754 ( 3.021 -3.059 0.034) 4.299 1.799 ( -1.947 -0.414 -0.157) 1.997 1.860 ( 3.210 -6.634 0.929) 7.429 1.906 ( 2.960 -2.320 0.393) 3.781 2.025 ( -2.866 -0.184 -0.262) 2.883 2.082 ( 0.415 2.255 0.186) 2.301 2.163 ( -0.175 1.992 0.667) 2.108 2.194 ( 0.602 -5.266 0.071) 5.301 2.210 ( -0.575 -1.217 -0.498) 1.435 2.237 ( -0.340 -2.295 -0.948) 2.506 2.343 ( 2.289 -2.630 -0.970) 3.619 2.452 ( -3.272 -0.846 -0.064) 3.380 2.492 ( 1.062 1.235 -1.590) 2.276 2.523 ( 2.213 -0.287 1.938) 2.956 2.642 ( 1.210 -2.463 1.620) 3.187 2.790 ( 2.821 0.990 -0.555) 3.041 2.936 ( -3.272 -0.782 0.058) 3.364 2.976 ( 1.687 0.300 -0.373) 1.753 3.014 ( 1.483 0.155 -0.130) 1.496 3.085 ( -1.989 -0.435 0.166) 2.043 3.227 ( 1.594 -1.274 0.022) 2.041 4.032 ( -0.662 -1.433 0.576) 1.680 4.099 ( 0.123 1.573 0.661) 1.711 4.148 ( 0.029 0.196 -0.417) 0.462 4.164 ( 0.005 2.121 -0.943) 2.322 4.423 ( -0.171 0.232 0.338) 0.444 4.455 ( -1.811 0.218 -0.245) 1.840 4.610 ( -0.361 0.310 -1.338) 1.421 4.681 ( -0.430 -1.050 -0.163) 1.146 4.782 ( 1.669 -0.902 -0.813) 2.064 4.928 ( -0.601 -2.605 -0.291) 2.689 4.934 ( -0.008 0.004 0.788) 0.788 5.059 ( 0.828 -1.773 1.855) 2.696 5.140 ( 3.224 -0.882 2.735) 4.319 5.158 ( 5.648 0.844 0.616) 5.744 5.204 ( 4.107 -1.494 5.225) 6.812 5.361 ( -5.870 1.665 -3.865) 7.223 5.754 ( 3.597 9.093 1.157) 9.847 5.782 ( -3.487 4.983 -2.813) 6.700 5.853 ( -7.292 -6.449 -1.006) 9.786 5.978 ( 9.896 -3.740 -1.650) 10.707 6.310 ( 2.582 -1.142 -1.989) 3.454 6.644 ( -4.658 -7.784 0.160) 9.073 7.253 ( -1.030 -2.092 7.270) 7.635 7.398 ( -5.190 -0.653 -4.588) 6.958 7.643 ( 4.975 -13.509 0.621) 14.409 7.895 ( -5.809 -7.646 -4.440) 10.579 8.219 ( 3.439 -6.758 0.336) 7.590 8.446 ( -2.341 6.845 0.239) 7.238 8.542 ( 1.936 4.675 3.517) 6.163 9.142 ( 5.945 3.816 -0.658) 7.095 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 15.496 -0.000) 15.496 0.669 ( 0.000 16.382 -0.000) 16.382 0.925 ( 0.000 10.038 -0.000) 10.038 1.097 ( 0.000 17.120 -0.000) 17.120 1.173 ( 0.000 3.216 -0.000) 3.216 1.190 ( 0.000 16.525 -0.000) 16.525 1.570 ( -0.000 -2.659 0.000) 2.659 1.652 ( -0.000 -4.268 0.000) 4.268 1.726 ( -0.000 -4.348 0.000) 4.348 1.761 ( 0.000 0.831 -0.000) 0.831 1.848 ( -0.000 -3.309 0.000) 3.309 1.948 ( -0.000 -2.317 0.000) 2.317 1.959 ( -0.000 -5.306 0.000) 5.306 1.986 ( -0.000 -1.138 0.000) 1.138 2.063 ( 0.000 2.268 -0.000) 2.268 2.140 ( 0.000 3.500 -0.000) 3.500 2.191 ( 0.000 2.202 -0.000) 2.202 2.240 ( -0.000 -4.655 0.000) 4.655 2.285 ( -0.000 -6.049 0.000) 6.049 2.361 ( 0.000 2.032 -0.000) 2.032 2.456 ( -0.000 -5.589 0.000) 5.589 2.505 ( -0.000 -1.436 0.000) 1.436 2.558 ( -0.000 -1.098 0.000) 1.098 2.707 ( -0.000 -6.989 0.000) 6.989 2.833 ( 0.000 0.044 -0.000) 0.044 2.886 ( 0.000 0.824 -0.000) 0.824 2.984 ( 0.000 0.576 -0.000) 0.576 3.035 ( 0.000 0.485 -0.000) 0.485 3.051 ( 0.000 1.257 -0.000) 1.257 3.252 ( -0.000 -0.767 0.000) 0.767 4.044 ( -0.000 -2.029 0.000) 2.029 4.087 ( 0.000 1.486 -0.000) 1.486 4.139 ( 0.000 1.031 -0.000) 1.031 4.154 ( 0.000 0.402 -0.000) 0.402 4.410 ( 0.000 1.516 -0.000) 1.516 4.448 ( -0.000 -1.417 0.000) 1.417 4.605 ( -0.000 -0.058 0.000) 0.058 4.690 ( -0.000 -1.578 0.000) 1.578 4.809 ( -0.000 -1.290 0.000) 1.290 4.932 ( 0.000 0.558 -0.000) 0.558 4.947 ( -0.000 -2.333 0.000) 2.333 5.081 ( -0.000 -0.648 0.000) 0.648 5.170 ( -0.000 -2.998 0.000) 2.998 5.177 ( -0.000 -1.053 0.000) 1.053 5.263 ( 0.000 3.799 -0.000) 3.799 5.430 ( -0.000 -0.775 0.000) 0.775 5.585 ( 0.000 2.403 -0.000) 2.403 5.716 ( 0.000 5.908 -0.000) 5.908 5.788 ( 0.000 2.060 -0.000) 2.060 6.239 ( -0.000 -10.350 0.000) 10.350 6.274 ( -0.000 -1.178 0.000) 1.178 6.682 ( -0.000 -8.878 0.000) 8.878 7.254 ( 0.000 3.203 -0.000) 3.203 7.292 ( 0.000 2.974 -0.000) 2.974 7.804 ( -0.000 -2.056 0.000) 2.056 7.859 ( -0.000 -7.353 0.000) 7.353 8.318 ( 0.000 13.576 -0.000) 13.576 8.387 ( -0.000 -13.506 0.000) 13.506 8.565 ( -0.000 -4.252 0.000) 4.252 9.187 ( 0.000 0.153 -0.000) 0.153 ======================= Grid point 30 (20/95) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.124 0.000 3.391) 3.394 1.139 ( -0.198 -0.000 -3.255) 3.261 1.299 ( -2.478 -0.000 0.008) 2.478 1.342 ( -2.010 -0.000 0.672) 2.119 1.441 ( -2.214 -0.000 0.008) 2.214 1.476 ( 2.073 0.000 -2.729) 3.427 1.495 ( 1.036 0.000 1.585) 1.894 1.510 ( 1.522 0.000 0.441) 1.585 1.573 ( -0.802 -0.000 -0.751) 1.099 1.597 ( 6.777 0.000 -2.378) 7.182 1.606 ( -2.064 -0.000 3.585) 4.137 1.686 ( 1.469 0.000 2.132) 2.589 1.992 ( -2.526 -0.000 -1.880) 3.149 2.024 ( -0.312 -0.000 0.017) 0.312 2.025 ( 1.337 0.000 -0.057) 1.339 2.058 ( -0.849 -0.000 -0.350) 0.919 2.163 ( -0.581 -0.000 -1.175) 1.311 2.235 ( 0.555 0.000 -1.214) 1.335 2.389 ( -5.697 -0.000 -0.893) 5.766 2.444 ( -2.532 -0.000 0.108) 2.534 2.489 ( -0.716 -0.000 0.017) 0.716 2.496 ( 2.240 0.000 1.047) 2.473 2.544 ( 4.761 0.000 1.484) 4.987 2.725 ( 1.484 0.000 -3.150) 3.482 2.832 ( -2.416 -0.000 0.510) 2.469 2.880 ( 3.195 0.000 -0.688) 3.268 2.946 ( 0.162 0.000 -0.988) 1.001 2.946 ( 0.360 0.000 5.591) 5.602 3.072 ( -0.849 -0.000 -0.675) 1.085 3.150 ( -0.254 -0.000 0.119) 0.281 4.055 ( -1.750 -0.000 0.920) 1.977 4.099 ( 1.691 0.000 -0.648) 1.811 4.156 ( 0.121 0.000 1.531) 1.536 4.253 ( 0.718 0.000 -1.367) 1.544 4.469 ( 0.028 0.000 -1.881) 1.881 4.512 ( -1.099 -0.000 1.145) 1.587 4.651 ( 1.219 0.000 -1.215) 1.721 4.670 ( -0.157 -0.000 3.094) 3.098 4.781 ( -0.273 -0.000 -2.576) 2.590 4.839 ( 3.892 0.000 2.677) 4.724 4.859 ( -0.104 -0.000 -1.449) 1.453 4.936 ( -1.216 -0.000 0.029) 1.217 5.075 ( 1.593 0.000 0.941) 1.851 5.081 ( -5.075 -0.000 -7.748) 9.262 5.254 ( -7.654 -0.000 9.302) 12.046 5.441 ( 11.805 0.000 -1.654) 11.920 5.747 ( 8.232 0.000 7.309) 11.009 5.858 ( -21.890 -0.000 -6.872) 22.943 5.879 ( 4.414 0.000 -6.218) 7.626 6.040 ( 6.160 0.000 -8.150) 10.216 6.280 ( 5.950 0.000 6.592) 8.880 6.511 ( -4.043 -0.000 9.463) 10.290 6.860 ( 6.285 0.000 -4.859) 7.944 6.866 ( -8.818 -0.000 0.488) 8.831 7.554 ( -3.163 -0.000 -2.833) 4.246 7.905 ( -2.925 -0.000 3.400) 4.485 8.254 ( -1.666 -0.000 -2.851) 3.302 8.578 ( 5.792 0.000 7.301) 9.319 8.760 ( -6.334 -0.000 -0.459) 6.350 9.080 ( 7.636 0.000 -4.081) 8.658 ======================= Grid point 32 (21/95) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.918 2.950 2.551) 4.006 1.106 ( -1.331 3.008 -0.394) 3.312 1.201 ( -2.312 7.757 -0.315) 8.100 1.305 ( -2.389 3.331 0.093) 4.101 1.422 ( -0.867 -2.454 -0.579) 2.666 1.457 ( 1.329 3.538 1.574) 4.094 1.505 ( 1.941 -1.228 -1.529) 2.759 1.560 ( -0.342 -4.482 0.608) 4.536 1.606 ( 3.908 0.015 -1.098) 4.059 1.631 ( 1.358 -1.739 2.595) 3.406 1.740 ( 6.518 -3.645 -0.689) 7.499 1.767 ( 4.266 -3.518 0.460) 5.548 1.930 ( -2.525 2.363 -2.372) 4.194 2.019 ( 0.713 0.935 -0.361) 1.230 2.058 ( -0.051 -2.734 0.237) 2.745 2.070 ( 1.240 -1.832 -0.228) 2.224 2.154 ( -0.146 -0.429 0.147) 0.476 2.227 ( -0.264 1.657 -1.448) 2.216 2.287 ( -5.171 0.780 -0.084) 5.230 2.367 ( -3.794 3.827 -0.164) 5.392 2.467 ( -2.018 -0.796 -0.239) 2.182 2.524 ( 0.879 0.617 0.460) 1.168 2.610 ( 3.158 1.183 1.773) 3.810 2.649 ( -5.346 2.783 -3.136) 6.794 2.820 ( 0.577 2.235 0.876) 2.469 2.902 ( -1.575 -3.690 -1.015) 4.139 2.956 ( 1.991 1.319 1.823) 3.005 2.984 ( 0.831 -1.071 1.367) 1.925 3.064 ( -0.324 -0.895 0.012) 0.952 3.162 ( 1.160 -1.095 -0.689) 1.738 4.030 ( -1.401 0.005 0.830) 1.628 4.122 ( 1.238 0.164 -0.589) 1.380 4.153 ( -0.806 0.100 0.866) 1.187 4.238 ( -0.894 1.372 -0.908) 1.873 4.454 ( -0.159 1.692 -1.041) 1.993 4.499 ( -0.979 0.190 0.581) 1.154 4.648 ( -0.473 0.807 -2.790) 2.943 4.669 ( -0.733 -0.647 -0.029) 0.978 4.772 ( 0.138 0.557 -1.345) 1.462 4.862 ( -0.447 -1.972 0.256) 2.039 4.914 ( 1.179 -1.570 0.715) 2.089 4.943 ( 1.875 -0.891 3.179) 3.797 5.033 ( 3.838 0.641 -4.069) 5.630 5.114 ( 1.811 -0.385 3.332) 3.812 5.184 ( -4.580 -1.006 6.308) 7.860 5.527 ( -6.367 4.010 -2.444) 7.911 5.638 ( 1.653 -4.910 0.947) 5.266 5.858 ( 4.008 3.120 0.281) 5.087 5.893 ( 3.755 0.437 -5.558) 6.722 6.127 ( 0.898 3.476 -2.302) 4.264 6.283 ( 5.125 11.747 0.792) 12.841 6.560 ( -2.812 -10.502 0.503) 10.884 6.826 ( 4.594 -5.939 8.373) 11.246 7.059 ( 7.579 -14.803 -3.673) 17.031 7.478 ( -4.322 0.306 -4.357) 6.145 7.833 ( -7.834 -2.266 1.378) 8.271 8.203 ( -2.693 0.362 -3.658) 4.557 8.633 ( -7.259 2.015 1.626) 7.707 8.676 ( 5.359 3.724 5.725) 8.681 9.165 ( 5.236 2.035 -2.724) 6.243 ======================= Grid point 33 (22/95) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -2.021 11.213 0.062) 11.394 1.073 ( -0.665 0.962 1.916) 2.245 1.085 ( -0.838 10.868 -0.035) 10.900 1.220 ( -1.089 7.859 0.080) 7.934 1.440 ( -0.177 -4.281 -0.653) 4.334 1.482 ( 3.174 2.378 1.390) 4.202 1.575 ( 3.599 -3.761 -1.252) 5.354 1.582 ( -0.153 0.191 -0.866) 0.900 1.664 ( 1.941 -1.438 -0.408) 2.450 1.693 ( 0.638 -6.269 2.562) 6.803 1.773 ( -2.776 6.280 -0.120) 6.867 1.852 ( 0.389 1.432 -1.534) 2.135 1.883 ( 4.096 0.269 -1.157) 4.265 2.013 ( -1.344 -0.134 0.126) 1.357 2.084 ( 0.426 -2.721 0.067) 2.755 2.109 ( -0.159 -2.619 0.955) 2.792 2.155 ( -1.315 0.648 0.204) 1.480 2.208 ( 1.150 0.620 -0.086) 1.309 2.233 ( -0.317 -0.650 -1.231) 1.428 2.299 ( -0.826 -0.115 0.070) 0.837 2.444 ( -2.342 -1.310 0.212) 2.692 2.497 ( -3.281 -0.521 -0.781) 3.413 2.556 ( -0.350 3.293 -1.381) 3.588 2.646 ( 2.157 1.887 2.155) 3.586 2.805 ( 0.198 0.766 -1.261) 1.489 2.899 ( -2.774 -2.911 0.792) 4.098 2.980 ( 1.095 0.093 0.051) 1.100 3.007 ( 1.052 -0.683 0.048) 1.255 3.070 ( -0.500 -0.844 0.575) 1.137 3.197 ( 1.372 -1.622 -0.357) 2.154 4.016 ( -0.767 -0.385 0.533) 1.010 4.125 ( -0.072 1.067 0.227) 1.094 4.145 ( -0.180 -0.399 -0.283) 0.522 4.206 ( -0.673 1.860 -0.584) 2.062 4.435 ( 0.212 1.580 -0.346) 1.632 4.475 ( -1.370 1.163 0.288) 1.820 4.620 ( -0.660 0.665 -1.870) 2.092 4.660 ( -0.957 -1.029 -0.717) 1.578 4.773 ( 0.735 -0.132 -0.739) 1.051 4.877 ( -0.590 -2.591 0.628) 2.730 4.928 ( -0.082 -0.563 0.563) 0.800 4.986 ( 0.197 -4.418 -1.182) 4.578 5.139 ( 0.154 0.234 4.559) 4.568 5.149 ( -0.894 -0.970 1.787) 2.221 5.198 ( 12.338 0.319 5.230) 13.405 5.408 ( -2.503 2.965 -2.608) 4.676 5.700 ( -3.705 -6.343 -3.940) 8.335 5.878 ( 1.955 3.062 1.192) 3.823 5.934 ( -3.163 -0.785 -0.959) 3.397 5.980 ( 2.942 11.585 -0.284) 11.956 6.329 ( 4.882 3.544 -5.467) 8.141 6.557 ( -2.046 -1.240 1.721) 2.947 7.073 ( 4.070 -15.207 8.487) 17.884 7.331 ( 3.564 -13.108 0.997) 13.620 7.407 ( 2.394 -2.628 -7.350) 8.165 7.725 ( -9.591 -7.283 -0.885) 12.075 8.156 ( -1.274 -0.304 -2.362) 2.701 8.511 ( -4.980 1.934 1.836) 5.649 8.708 ( 3.154 8.011 3.360) 9.242 9.206 ( 3.370 2.542 -1.336) 4.427 ======================= Grid point 34 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 14.571 -0.000) 14.571 0.957 ( 0.000 13.611 -0.000) 13.611 1.072 ( 0.000 0.336 -0.000) 0.336 1.130 ( 0.000 8.010 -0.000) 8.010 1.463 ( 0.000 5.465 -0.000) 5.465 1.516 ( 0.000 2.139 -0.000) 2.139 1.518 ( 0.000 8.077 -0.000) 8.077 1.608 ( 0.000 6.695 -0.000) 6.695 1.642 ( -0.000 -3.490 0.000) 3.490 1.733 ( -0.000 -6.863 0.000) 6.863 1.761 ( -0.000 -3.489 0.000) 3.489 1.842 ( -0.000 -2.544 0.000) 2.544 1.959 ( 0.000 2.026 -0.000) 2.026 1.964 ( -0.000 -1.601 0.000) 1.601 2.106 ( 0.000 0.959 -0.000) 0.959 2.143 ( -0.000 -5.243 0.000) 5.243 2.144 ( -0.000 -3.128 0.000) 3.128 2.220 ( 0.000 0.753 0.000) 0.753 2.220 ( 0.000 1.443 0.000) 1.443 2.346 ( -0.000 -5.386 0.000) 5.386 2.400 ( 0.000 1.831 -0.000) 1.831 2.512 ( -0.000 -4.826 0.000) 4.826 2.525 ( 0.000 2.614 -0.000) 2.614 2.649 ( 0.000 1.569 -0.000) 1.569 2.818 ( -0.000 -1.472 0.000) 1.472 2.885 ( -0.000 -0.887 0.000) 0.887 2.989 ( -0.000 -0.115 0.000) 0.115 3.028 ( -0.000 -1.025 0.000) 1.025 3.065 ( 0.000 0.269 -0.000) 0.269 3.225 ( -0.000 -1.770 0.000) 1.770 4.016 ( -0.000 -0.885 0.000) 0.885 4.114 ( 0.000 1.181 -0.000) 1.181 4.147 ( -0.000 -0.163 0.000) 0.163 4.180 ( 0.000 2.021 -0.000) 2.021 4.431 ( 0.000 0.118 -0.000) 0.118 4.443 ( 0.000 1.901 -0.000) 1.901 4.608 ( 0.000 0.342 -0.000) 0.342 4.662 ( -0.000 -1.379 0.000) 1.379 4.787 ( -0.000 -0.988 0.000) 0.988 4.896 ( -0.000 -2.543 0.000) 2.543 4.933 ( -0.000 -0.377 0.000) 0.377 5.030 ( -0.000 -4.733 0.000) 4.733 5.141 ( -0.000 -0.102 0.000) 0.102 5.151 ( -0.000 -1.461 0.000) 1.461 5.341 ( 0.000 3.932 -0.000) 3.932 5.419 ( -0.000 -0.352 0.000) 0.352 5.590 ( -0.000 -1.102 0.000) 1.102 5.839 ( 0.000 5.356 -0.000) 5.356 5.864 ( 0.000 4.730 -0.000) 4.730 6.067 ( -0.000 -5.694 0.000) 5.694 6.295 ( 0.000 3.941 -0.000) 3.941 6.566 ( -0.000 -3.034 0.000) 3.034 7.220 ( -0.000 -7.665 0.000) 7.665 7.321 ( 0.000 0.296 -0.000) 0.296 7.652 ( -0.000 -11.364 0.000) 11.364 7.680 ( -0.000 -12.985 0.000) 12.985 8.171 ( -0.000 -5.749 0.000) 5.749 8.458 ( 0.000 1.588 -0.000) 1.588 8.646 ( 0.000 10.554 -0.000) 10.554 9.215 ( 0.000 2.042 -0.000) 2.042 ======================= Grid point 41 (24/95) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.316 0.000 2.305) 2.327 1.091 ( -1.842 -0.000 -0.237) 1.857 1.222 ( -0.467 -0.000 -0.505) 0.687 1.301 ( -0.315 -0.000 0.669) 0.740 1.383 ( -1.394 -0.000 -0.617) 1.524 1.493 ( -0.029 -0.000 1.529) 1.529 1.511 ( 0.085 0.000 0.165) 0.186 1.546 ( 3.664 0.000 -2.122) 4.234 1.621 ( 0.253 0.000 2.747) 2.759 1.725 ( 3.513 0.000 -0.730) 3.588 1.797 ( 4.318 0.000 -0.043) 4.318 1.858 ( 6.187 0.000 -1.332) 6.328 1.894 ( -2.137 -0.000 -2.557) 3.332 2.035 ( 0.535 0.000 -0.469) 0.711 2.043 ( -0.352 -0.000 1.638) 1.676 2.084 ( 1.627 0.000 0.082) 1.629 2.151 ( -0.070 -0.000 0.442) 0.448 2.222 ( -2.525 -0.000 0.560) 2.586 2.238 ( 0.711 0.000 -1.228) 1.419 2.316 ( -4.755 -0.000 0.598) 4.792 2.409 ( -3.030 -0.000 -0.432) 3.061 2.497 ( -3.884 -0.000 -0.463) 3.911 2.596 ( -1.158 -0.000 -2.471) 2.729 2.670 ( 2.693 0.000 1.655) 3.160 2.826 ( -3.298 -0.000 -2.144) 3.934 2.848 ( -0.014 -0.000 2.343) 2.343 2.981 ( 0.171 0.000 0.438) 0.470 2.998 ( 1.000 0.000 0.290) 1.041 3.061 ( 0.264 0.000 0.437) 0.511 3.178 ( 1.356 0.000 -0.501) 1.446 4.013 ( -0.844 -0.000 0.460) 0.962 4.136 ( 0.521 0.000 -0.509) 0.728 4.140 ( -0.930 -0.000 0.384) 1.006 4.224 ( -0.953 -0.000 -0.378) 1.026 4.462 ( 0.138 0.000 -0.662) 0.676 4.485 ( -0.923 -0.000 0.388) 1.001 4.630 ( -0.885 -0.000 -3.042) 3.168 4.648 ( -0.940 -0.000 -0.262) 0.976 4.773 ( 0.038 0.000 -0.649) 0.650 4.843 ( -0.598 -0.000 0.432) 0.738 4.917 ( 0.585 0.000 -0.299) 0.657 4.943 ( -0.412 -0.000 1.069) 1.146 5.137 ( -0.652 -0.000 2.104) 2.203 5.143 ( -1.352 -0.000 4.306) 4.513 5.202 ( 13.023 0.000 5.024) 13.959 5.448 ( -1.496 -0.000 -2.110) 2.586 5.627 ( -1.518 -0.000 -3.365) 3.692 5.903 ( -4.623 -0.000 -4.346) 6.345 5.928 ( 0.915 0.000 1.650) 1.887 6.117 ( -0.596 -0.000 1.237) 1.373 6.419 ( 3.505 0.000 -10.039) 10.634 6.542 ( 5.460 0.000 4.242) 6.914 6.872 ( 2.070 0.000 10.516) 10.718 7.147 ( 12.024 0.000 -1.394) 12.104 7.399 ( -3.042 -0.000 -5.390) 6.189 7.658 ( -11.552 -0.000 -0.152) 11.553 8.160 ( -1.458 -0.000 -2.678) 3.049 8.531 ( -5.943 -0.000 2.003) 6.271 8.788 ( 3.656 0.000 3.378) 4.978 9.231 ( 2.538 0.000 -1.469) 2.932 ======================= Grid point 43 (25/95) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.000 7.613 -0.000) 7.613 1.076 ( 0.000 0.460 -0.000) 0.460 1.175 ( 0.000 8.244 -0.000) 8.244 1.274 ( 0.000 5.080 -0.000) 5.080 1.391 ( -0.000 -4.187 0.000) 4.187 1.504 ( -0.000 -1.492 0.000) 1.492 1.545 ( -0.000 -5.708 0.000) 5.708 1.590 ( -0.000 -0.803 0.000) 0.803 1.643 ( -0.000 -4.567 0.000) 4.567 1.729 ( 0.000 4.437 -0.000) 4.437 1.807 ( 0.000 5.401 -0.000) 5.401 1.865 ( 0.000 1.502 -0.000) 1.502 1.926 ( -0.000 -2.042 0.000) 2.042 2.006 ( 0.000 3.169 -0.000) 3.169 2.069 ( -0.000 -2.663 0.000) 2.663 2.097 ( 0.000 0.974 -0.000) 0.974 2.150 ( 0.000 0.202 -0.000) 0.202 2.208 ( -0.000 -0.375 0.000) 0.375 2.249 ( 0.000 0.999 -0.000) 0.999 2.269 ( -0.000 -2.452 0.000) 2.452 2.395 ( -0.000 -2.880 0.000) 2.880 2.453 ( 0.000 0.020 -0.000) 0.020 2.576 ( 0.000 1.950 -0.000) 1.950 2.696 ( 0.000 1.999 -0.000) 1.999 2.788 ( -0.000 -1.212 0.000) 1.212 2.859 ( -0.000 -1.371 0.000) 1.371 2.984 ( -0.000 -0.238 0.000) 0.238 3.010 ( -0.000 -0.615 0.000) 0.615 3.066 ( -0.000 -0.090 0.000) 0.090 3.195 ( -0.000 -1.080 0.000) 1.080 4.007 ( -0.000 -0.173 0.000) 0.173 4.129 ( 0.000 0.443 -0.000) 0.443 4.140 ( -0.000 -0.319 0.000) 0.319 4.211 ( 0.000 0.890 -0.000) 0.890 4.454 ( 0.000 1.582 -0.000) 1.582 4.473 ( 0.000 0.918 -0.000) 0.918 4.615 ( 0.000 0.295 -0.000) 0.295 4.642 ( -0.000 -0.583 0.000) 0.583 4.774 ( -0.000 -0.348 0.000) 0.348 4.850 ( -0.000 -2.152 0.000) 2.152 4.924 ( -0.000 -0.382 0.000) 0.382 4.952 ( -0.000 -2.257 0.000) 2.257 5.130 ( -0.000 -0.606 0.000) 0.606 5.143 ( 0.000 0.092 -0.000) 0.092 5.384 ( 0.000 0.324 -0.000) 0.324 5.433 ( 0.000 1.663 -0.000) 1.663 5.570 ( -0.000 -0.705 0.000) 0.705 5.825 ( -0.000 -3.378 0.000) 3.378 5.927 ( 0.000 1.587 -0.000) 1.587 6.108 ( 0.000 5.323 -0.000) 5.323 6.409 ( 0.000 5.760 -0.000) 5.760 6.572 ( 0.000 3.342 -0.000) 3.342 6.981 ( -0.000 -13.083 0.000) 13.083 7.311 ( -0.000 -1.609 0.000) 1.609 7.408 ( -0.000 -9.875 0.000) 9.875 7.522 ( -0.000 -2.599 0.000) 2.599 8.142 ( 0.000 0.310 -0.000) 0.310 8.478 ( 0.000 0.577 -0.000) 0.577 8.802 ( 0.000 4.555 -0.000) 4.555 9.245 ( 0.000 0.917 -0.000) 0.917 ======================= Grid point 85 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( 3.999 0.000 12.701) 13.315 0.277 ( -1.513 -0.000 13.566) 13.650 0.498 ( 0.834 0.000 24.309) 24.323 0.648 ( -1.422 -0.000 -5.804) 5.975 0.695 ( 0.214 0.000 -6.287) 6.291 1.234 ( -0.100 -0.000 -10.686) 10.687 1.627 ( 0.518 0.000 1.237) 1.341 1.696 ( -0.549 -0.000 -1.743) 1.827 1.812 ( -3.058 -0.000 1.277) 3.314 1.832 ( -0.358 -0.000 1.184) 1.237 1.875 ( 1.503 0.000 -0.756) 1.683 1.885 ( 1.560 0.000 0.125) 1.565 1.962 ( -0.515 -0.000 -0.201) 0.553 1.972 ( 0.750 0.000 -0.345) 0.825 2.132 ( -1.345 -0.000 -1.134) 1.760 2.172 ( 0.528 0.000 -1.770) 1.847 2.200 ( -1.346 -0.000 1.641) 2.123 2.250 ( 0.266 0.000 -0.156) 0.308 2.256 ( 3.524 0.000 2.180) 4.144 2.338 ( -1.770 -0.000 -2.122) 2.763 2.629 ( 2.952 0.000 -0.584) 3.009 2.646 ( 0.214 0.000 -1.201) 1.219 2.716 ( 2.774 0.000 0.405) 2.804 2.727 ( -0.174 -0.000 0.398) 0.435 2.760 ( -1.058 -0.000 0.243) 1.086 2.798 ( -2.621 -0.000 -2.320) 3.500 3.003 ( 0.025 0.000 0.661) 0.661 3.004 ( -0.274 -0.000 0.372) 0.462 3.036 ( 1.661 0.000 5.202) 5.461 3.215 ( -0.715 -0.000 -2.564) 2.661 4.060 ( -0.930 -0.000 1.318) 1.613 4.114 ( -0.729 -0.000 0.029) 0.730 4.117 ( 0.397 0.000 -0.540) 0.670 4.135 ( 1.428 0.000 -1.378) 1.984 4.411 ( -3.233 -0.000 1.564) 3.591 4.465 ( 1.476 0.000 -0.515) 1.563 4.633 ( 0.515 0.000 0.155) 0.538 4.639 ( 0.276 0.000 1.378) 1.406 4.810 ( 2.223 0.000 -4.538) 5.054 4.830 ( -1.707 -0.000 -3.017) 3.467 4.920 ( -0.439 -0.000 1.944) 1.993 4.974 ( 1.280 0.000 0.554) 1.395 5.162 ( 1.238 0.000 2.193) 2.519 5.195 ( 3.560 0.000 0.634) 3.616 5.296 ( -17.672 -0.000 1.056) 17.704 5.346 ( 6.896 0.000 -1.986) 7.176 5.482 ( 4.560 0.000 2.490) 5.195 5.588 ( -5.282 -0.000 0.047) 5.282 6.269 ( 9.401 0.000 1.294) 9.490 6.483 ( -2.645 -0.000 -5.835) 6.407 6.947 ( 6.017 0.000 -1.048) 6.108 6.981 ( -2.266 -0.000 -0.462) 2.313 7.041 ( -7.280 -0.000 4.918) 8.786 7.188 ( 9.210 0.000 0.648) 9.232 7.825 ( -1.400 -0.000 0.853) 1.640 7.860 ( 1.938 0.000 -0.682) 2.054 7.869 ( 5.772 0.000 1.385) 5.936 7.974 ( -5.225 -0.000 -2.373) 5.738 8.959 ( -10.691 -0.000 0.091) 10.691 8.962 ( 2.084 0.000 -0.030) 2.084 ======================= Grid point 86 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 9.929 -3.851 8.391) 13.558 0.495 ( 8.497 -3.064 12.830) 15.690 0.699 ( 7.532 -0.533 -3.585) 8.359 0.730 ( 14.120 -9.355 10.018) 19.679 0.808 ( 10.374 -10.114 -5.600) 15.533 1.177 ( -1.234 0.864 -10.040) 10.152 1.636 ( -0.217 1.947 0.458) 2.011 1.681 ( -0.748 -1.630 -0.931) 2.021 1.777 ( -1.237 1.253 1.438) 2.274 1.845 ( 0.765 -0.455 0.854) 1.234 1.871 ( 1.804 3.437 -0.314) 3.894 1.947 ( 2.181 -3.786 0.205) 4.374 1.969 ( 0.539 0.729 -0.307) 0.957 2.001 ( 1.805 -0.714 -0.478) 1.999 2.074 ( -3.898 2.817 -0.093) 4.811 2.144 ( -0.604 3.310 -0.284) 3.376 2.199 ( 0.693 0.074 1.664) 1.804 2.271 ( 0.676 -1.789 -1.284) 2.304 2.293 ( -2.233 -1.043 -2.042) 3.201 2.322 ( 2.249 -0.548 1.097) 2.562 2.582 ( -3.174 5.397 -0.576) 6.288 2.642 ( -0.411 3.720 -0.410) 3.765 2.677 ( -3.818 -1.093 -4.014) 5.647 2.697 ( -2.546 5.996 0.131) 6.515 2.704 ( -5.048 -1.922 0.085) 5.403 2.826 ( -0.130 -6.031 0.515) 6.055 3.012 ( 0.800 0.435 0.301) 0.959 3.032 ( 1.554 -1.296 1.144) 2.325 3.083 ( 2.185 0.088 3.799) 4.383 3.188 ( -1.661 -0.811 -3.147) 3.649 4.047 ( -1.032 -0.341 0.635) 1.259 4.100 ( -0.039 1.235 -0.369) 1.290 4.124 ( 0.364 -0.268 -0.463) 0.647 4.148 ( 0.405 0.033 -0.135) 0.428 4.393 ( 0.105 -0.237 1.077) 1.108 4.499 ( 2.193 0.011 0.211) 2.203 4.636 ( -0.288 -0.391 0.437) 0.654 4.660 ( 0.385 -1.665 1.311) 2.154 4.799 ( -0.682 -0.652 -2.297) 2.483 4.811 ( -2.082 -2.105 -5.357) 6.121 4.913 ( -1.035 -0.135 1.357) 1.712 4.986 ( -2.007 -0.554 0.372) 2.115 5.127 ( -4.176 1.594 -0.295) 4.479 5.223 ( 4.241 0.905 -0.736) 4.398 5.265 ( 3.529 0.050 1.105) 3.699 5.472 ( -5.514 -1.945 -3.550) 6.840 5.502 ( 8.864 2.280 4.755) 10.315 5.568 ( 3.220 -4.533 2.275) 6.008 6.211 ( -13.093 8.432 -4.151) 16.117 6.311 ( -5.995 -0.268 0.671) 6.038 6.737 ( -5.021 23.134 5.349) 24.269 6.937 ( 4.820 12.037 0.239) 12.968 7.012 ( -3.614 -9.043 0.788) 9.771 7.370 ( 9.242 -3.256 2.815) 10.195 7.873 ( 2.372 -3.735 -2.944) 5.315 7.905 ( -0.736 -15.215 -1.653) 15.322 7.993 ( 3.977 -4.787 -2.549) 6.725 8.266 ( 17.037 -3.658 -6.750) 18.687 8.710 ( -13.965 4.789 3.954) 15.284 8.917 ( -7.030 -0.077 -0.301) 7.037 ======================= Grid point 87 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 10.301 -2.462 3.295) 11.092 0.686 ( 8.088 -3.376 11.027) 14.086 0.833 ( 10.065 -0.172 -3.912) 10.800 0.995 ( 4.995 -1.992 -11.171) 12.398 1.127 ( 13.725 -10.307 3.653) 17.549 1.244 ( 9.986 -11.290 -0.537) 15.082 1.577 ( -2.910 3.529 -0.289) 4.583 1.671 ( -2.867 0.849 0.137) 2.993 1.755 ( -0.475 -0.554 0.881) 1.144 1.849 ( 0.274 1.722 -0.389) 1.787 1.877 ( -0.838 2.808 -0.337) 2.950 1.915 ( -3.365 1.657 0.957) 3.871 1.979 ( -0.062 2.150 -0.164) 2.158 2.002 ( -0.536 2.484 0.808) 2.667 2.039 ( 0.290 0.352 0.754) 0.881 2.110 ( 0.238 -1.785 -1.216) 2.173 2.221 ( 1.568 0.219 1.167) 1.967 2.264 ( -0.644 0.097 -1.121) 1.296 2.302 ( -2.249 -0.526 -1.026) 2.527 2.355 ( 3.090 -1.415 1.184) 3.599 2.491 ( -1.739 2.881 -0.834) 3.467 2.548 ( -5.432 5.842 -0.684) 8.006 2.590 ( -3.236 3.320 -1.589) 4.901 2.601 ( -2.948 0.136 -0.171) 2.956 2.673 ( -0.803 -0.315 -0.107) 0.869 2.854 ( -2.721 -4.036 1.273) 5.032 3.007 ( -1.085 0.837 0.579) 1.487 3.058 ( 0.680 1.219 1.118) 1.788 3.121 ( 1.060 -1.248 -0.275) 1.660 3.171 ( -0.500 -1.118 -0.742) 1.432 4.040 ( -0.482 -0.684 -0.143) 0.849 4.090 ( 0.631 1.592 -0.139) 1.718 4.130 ( 0.072 -0.516 -0.441) 0.682 4.152 ( 0.041 -0.092 0.970) 0.975 4.408 ( 0.917 -0.305 0.009) 0.967 4.531 ( 2.007 0.993 0.377) 2.270 4.636 ( -0.738 -0.927 -0.358) 1.238 4.688 ( 0.638 -1.229 2.352) 2.729 4.779 ( -2.423 -1.761 -2.884) 4.158 4.787 ( -0.870 -0.565 -0.858) 1.346 4.902 ( -0.862 -0.567 0.817) 1.317 4.957 ( -1.848 -1.961 0.791) 2.808 5.077 ( 0.310 2.594 -2.275) 3.464 5.235 ( -1.344 2.585 -3.060) 4.225 5.305 ( 2.282 2.214 2.997) 4.370 5.360 ( -6.307 -3.793 -2.965) 7.934 5.566 ( -3.039 -0.508 0.607) 3.140 5.731 ( 9.436 2.126 3.867) 10.417 5.955 ( -3.539 6.333 -4.897) 8.753 6.214 ( -7.942 -2.168 5.043) 9.654 6.525 ( -0.380 13.957 2.665) 14.214 6.911 ( 5.157 11.194 -1.022) 12.366 7.020 ( -6.099 -8.762 -0.868) 10.711 7.500 ( 0.982 -2.210 4.193) 4.841 7.949 ( 1.360 -4.798 -3.369) 6.018 8.051 ( 4.227 -5.270 -2.452) 7.187 8.151 ( 4.540 -13.385 -2.243) 14.311 8.294 ( -5.819 8.208 5.534) 11.483 8.483 ( -5.515 10.018 -2.794) 11.772 8.840 ( -1.788 -4.130 -1.599) 4.776 ======================= Grid point 88 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 8.831 -0.596 -0.690) 8.878 0.886 ( 8.200 -3.807 6.865) 11.352 0.990 ( 8.852 -0.651 -1.773) 9.051 1.009 ( 1.423 -0.599 -7.944) 8.092 1.416 ( 8.751 -5.861 2.037) 10.728 1.476 ( 0.161 -0.016 -1.163) 1.174 1.540 ( 1.673 -2.438 0.078) 2.958 1.593 ( -0.438 -3.389 0.285) 3.429 1.711 ( -7.040 5.962 0.680) 9.250 1.775 ( -0.658 -3.850 0.570) 3.948 1.876 ( 0.554 2.470 -1.487) 2.936 1.878 ( -2.276 0.021 -0.139) 2.280 1.925 ( -0.465 4.599 0.708) 4.676 1.983 ( -0.465 -0.476 -0.304) 0.731 2.035 ( 1.954 1.442 1.791) 3.017 2.165 ( 1.318 -3.157 -0.464) 3.453 2.198 ( -4.274 2.106 0.018) 4.765 2.250 ( 1.274 -0.185 0.585) 1.414 2.274 ( -0.327 -0.341 -1.242) 1.329 2.394 ( -5.447 3.956 0.012) 6.732 2.411 ( -3.225 5.601 -0.198) 6.466 2.458 ( 4.570 -1.760 0.831) 4.967 2.561 ( -1.623 -0.195 0.011) 1.634 2.577 ( 3.850 -0.104 -1.825) 4.262 2.684 ( 0.509 -1.811 -0.844) 2.062 2.822 ( -4.164 -0.256 1.758) 4.527 2.972 ( -1.803 0.563 0.129) 1.893 3.035 ( -1.576 1.983 -0.110) 2.536 3.139 ( -0.561 -2.146 -1.197) 2.520 3.185 ( 1.229 0.293 1.008) 1.616 4.043 ( 0.127 -0.539 -0.457) 0.718 4.090 ( 0.923 1.234 0.341) 1.578 4.131 ( -0.388 -0.190 -0.250) 0.500 4.163 ( 0.472 -0.925 1.441) 1.777 4.424 ( 0.782 -0.232 -0.830) 1.163 4.540 ( 0.509 1.832 -1.099) 2.197 4.622 ( -1.098 -0.410 -1.465) 1.876 4.709 ( 0.100 0.254 2.941) 2.953 4.765 ( -0.702 -2.144 -0.782) 2.388 4.778 ( -0.687 -0.439 -0.884) 1.203 4.905 ( 0.011 -1.187 0.118) 1.192 4.965 ( -0.506 -1.770 0.150) 1.847 5.075 ( 1.563 0.152 -0.632) 1.692 5.140 ( -4.516 -1.420 -5.213) 7.042 5.286 ( -4.697 2.677 0.377) 5.419 5.353 ( 4.022 0.239 3.007) 5.028 5.501 ( -1.252 0.781 0.796) 1.676 5.769 ( 2.414 5.938 -2.861) 7.020 5.949 ( 1.035 0.018 2.087) 2.330 6.125 ( -5.975 -0.227 3.356) 6.857 6.485 ( 4.737 3.659 0.885) 6.051 6.870 ( 1.076 8.994 0.413) 9.067 6.966 ( -7.206 -3.112 0.508) 7.866 7.463 ( -8.739 -2.905 2.786) 9.621 7.890 ( -8.470 2.358 0.429) 8.803 8.056 ( -3.703 -0.561 -2.011) 4.251 8.226 ( -0.129 5.341 -0.554) 5.371 8.280 ( 5.495 -1.281 -5.742) 8.050 8.437 ( 6.471 -4.061 4.463) 8.848 8.882 ( 1.189 -3.425 -1.603) 3.964 ======================= Grid point 89 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 4.174 0.757 -3.644) 5.592 1.007 ( 0.469 -0.131 -2.536) 2.583 1.051 ( 4.340 -3.055 3.331) 6.266 1.111 ( 4.338 -0.970 0.108) 4.447 1.410 ( -0.715 1.516 -0.847) 1.877 1.463 ( -2.042 2.350 -0.941) 3.252 1.545 ( -5.342 2.951 0.407) 6.116 1.596 ( 3.113 -3.109 0.383) 4.416 1.710 ( 0.456 -2.958 0.717) 3.077 1.793 ( -1.270 1.812 0.059) 2.213 1.818 ( -0.149 -2.928 -0.944) 3.080 1.881 ( -1.069 -0.060 0.241) 1.097 1.906 ( 1.309 0.581 -1.483) 2.062 1.995 ( 1.029 0.175 0.462) 1.142 2.079 ( 2.998 0.662 1.976) 3.651 2.134 ( -2.562 -1.203 1.189) 3.070 2.198 ( -0.196 -1.250 -1.135) 1.700 2.259 ( -1.402 -1.080 -1.100) 2.083 2.270 ( 0.476 1.257 -0.205) 1.360 2.289 ( -1.260 2.733 0.626) 3.074 2.316 ( -1.838 3.554 0.348) 4.016 2.532 ( 1.034 0.231 0.161) 1.072 2.564 ( 2.415 -0.212 0.017) 2.425 2.666 ( 0.467 -3.176 1.968) 3.765 2.689 ( 1.079 -1.830 -4.259) 4.760 2.754 ( -1.162 2.742 0.680) 3.055 2.948 ( -1.001 0.529 0.254) 1.160 2.986 ( -1.756 1.143 0.386) 2.131 3.140 ( -0.488 -0.901 -1.039) 1.459 3.200 ( 0.554 0.470 0.767) 1.057 4.049 ( 0.455 0.036 -0.315) 0.554 4.098 ( 0.941 0.766 0.712) 1.407 4.122 ( -0.657 -0.128 0.009) 0.670 4.184 ( -0.090 -0.892 1.543) 1.785 4.437 ( 0.877 -0.556 -1.468) 1.799 4.508 ( -0.966 1.694 -3.531) 4.034 4.608 ( -0.534 0.176 -0.846) 1.015 4.703 ( -0.372 1.575 0.779) 1.796 4.759 ( -0.990 0.210 -1.261) 1.617 4.785 ( 0.280 -2.250 0.397) 2.302 4.920 ( 0.353 -1.229 -0.504) 1.374 4.965 ( -0.450 -0.456 -0.077) 0.646 5.058 ( -1.840 -0.415 -0.934) 2.105 5.157 ( 0.842 -1.546 -2.065) 2.714 5.217 ( -1.407 -4.872 3.887) 6.389 5.456 ( 6.949 1.774 4.641) 8.543 5.520 ( 5.493 6.184 2.266) 8.576 5.727 ( -1.186 1.089 -7.446) 7.619 5.908 ( -8.433 -2.577 6.339) 10.860 6.059 ( -0.680 1.516 -1.425) 2.189 6.522 ( -2.864 -0.132 -5.829) 6.497 6.798 ( -0.231 3.581 5.308) 6.407 6.904 ( 1.437 1.678 6.130) 6.516 7.361 ( -6.468 -4.937 -2.585) 8.538 7.754 ( -5.425 2.405 4.336) 7.350 7.982 ( 0.268 3.415 -5.168) 6.200 8.212 ( 1.447 1.865 0.354) 2.387 8.347 ( 4.714 3.266 -5.779) 8.141 8.586 ( 1.957 -5.714 5.142) 7.932 8.911 ( -0.505 -2.425 -1.847) 3.090 ======================= Grid point 90 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -4.667 4.030 -2.287) 6.577 0.981 ( -3.989 0.876 -1.558) 4.372 1.090 ( -3.209 0.045 0.379) 3.232 1.135 ( -0.781 -1.308 0.693) 1.674 1.436 ( 3.478 -1.793 -1.677) 4.257 1.450 ( 1.273 -1.931 -0.212) 2.322 1.532 ( 3.946 -2.915 0.547) 4.936 1.597 ( -3.355 2.255 0.394) 4.062 1.708 ( -0.882 3.317 0.757) 3.515 1.793 ( 2.617 -0.589 -0.076) 2.684 1.814 ( -0.961 3.105 -0.932) 3.382 1.869 ( -1.286 -1.406 -0.133) 1.910 1.916 ( -0.301 -2.270 -0.781) 2.420 1.996 ( 1.122 3.371 0.102) 3.554 2.097 ( -4.255 -1.250 2.666) 5.175 2.108 ( 1.275 0.475 0.448) 1.432 2.194 ( -0.058 0.171 -1.391) 1.403 2.250 ( -0.436 0.033 0.174) 0.470 2.272 ( -1.044 -2.597 -0.688) 2.882 2.309 ( 4.099 -0.868 0.200) 4.194 2.312 ( 2.087 -2.217 0.423) 3.074 2.537 ( -3.546 1.536 0.284) 3.875 2.541 ( -0.982 0.962 0.231) 1.394 2.609 ( -2.533 0.406 -1.056) 2.775 2.737 ( 0.659 0.846 -0.529) 1.195 2.813 ( 6.531 -2.295 -1.119) 7.012 2.917 ( -1.359 1.353 1.177) 2.250 2.977 ( 0.661 -0.388 0.194) 0.791 3.139 ( 0.074 -0.278 -1.073) 1.111 3.199 ( -0.222 0.779 0.780) 1.125 4.054 ( 0.669 0.603 -0.346) 0.965 4.109 ( 0.799 0.433 0.581) 1.078 4.114 ( -0.674 -0.474 0.214) 0.851 4.175 ( -1.789 0.258 1.541) 2.375 4.455 ( 0.504 -1.448 -1.510) 2.152 4.478 ( 0.119 -0.023 -3.568) 3.570 4.594 ( 0.035 1.141 -0.644) 1.310 4.679 ( -0.464 1.923 0.303) 2.001 4.738 ( -0.996 -0.129 -0.618) 1.179 4.813 ( 0.797 -0.694 0.818) 1.336 4.936 ( 0.343 -1.133 -0.955) 1.521 4.958 ( -0.323 0.722 0.538) 0.956 5.058 ( 0.687 -2.250 -1.749) 2.932 5.185 ( 4.626 0.854 -2.196) 5.192 5.299 ( -1.021 -8.657 7.540) 11.526 5.475 ( -4.355 6.015 2.702) 7.903 5.515 ( 3.840 9.235 -3.773) 10.690 5.728 ( 1.386 -4.185 -3.299) 5.506 5.836 ( -3.220 -1.698 7.116) 7.993 6.064 ( 1.420 -2.688 -3.004) 4.274 6.379 ( -8.946 -1.243 -0.506) 9.046 6.820 ( 2.121 -2.045 -0.351) 2.968 7.096 ( 15.768 -1.937 11.273) 19.480 7.327 ( -2.862 -5.633 -6.408) 8.999 7.685 ( -0.416 4.814 3.161) 5.774 8.005 ( 6.800 0.877 -4.195) 8.038 8.207 ( -1.534 -0.357 0.336) 1.611 8.331 ( 1.143 6.697 -4.530) 8.165 8.614 ( -4.980 -2.285 4.221) 6.916 8.903 ( -1.944 -1.390 -1.930) 3.072 ======================= Grid point 91 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -9.827 5.756 0.988) 11.431 0.842 ( -9.776 2.726 0.623) 10.168 0.993 ( -6.924 0.159 -1.678) 7.126 1.133 ( -1.257 -1.662 -3.790) 4.325 1.412 ( -9.942 6.493 1.415) 11.958 1.529 ( 1.164 0.013 -1.404) 1.824 1.538 ( 0.681 -0.078 1.007) 1.218 1.569 ( -3.487 5.089 0.747) 6.214 1.686 ( 6.785 -5.929 0.636) 9.033 1.752 ( 0.475 3.814 0.139) 3.846 1.864 ( -2.255 -3.632 -0.652) 4.325 1.888 ( 5.035 -3.117 -0.203) 5.926 1.943 ( 0.856 0.077 1.057) 1.362 1.976 ( 1.564 3.165 -1.004) 3.670 2.060 ( -2.988 -3.418 1.733) 4.860 2.162 ( -0.719 2.784 -0.159) 2.880 2.167 ( 3.294 -2.479 -0.560) 4.160 2.227 ( -1.156 1.030 -0.014) 1.548 2.284 ( -0.360 -1.379 -0.346) 1.467 2.402 ( 3.342 -4.999 -0.180) 6.016 2.417 ( 4.723 -3.581 0.105) 5.928 2.429 ( -3.631 1.576 0.446) 3.983 2.549 ( -2.345 0.512 -0.996) 2.599 2.561 ( 1.828 0.735 -0.288) 1.992 2.736 ( 0.540 1.237 -1.283) 1.862 2.889 ( 0.600 2.261 3.850) 4.505 2.922 ( 3.417 -1.571 -1.707) 4.130 3.004 ( 1.022 -1.351 -0.300) 1.720 3.137 ( -0.209 0.624 -1.017) 1.211 3.189 ( 0.104 0.662 0.852) 1.084 4.059 ( 0.820 0.628 -0.693) 1.244 4.105 ( -0.392 0.501 0.048) 0.637 4.119 ( 0.118 -0.302 0.368) 0.491 4.143 ( -2.016 -0.103 1.342) 2.424 4.463 ( -0.766 -1.804 -2.175) 2.927 4.490 ( 0.891 -0.435 0.220) 1.015 4.590 ( 1.146 1.067 -0.714) 1.721 4.655 ( 0.228 2.524 0.624) 2.610 4.734 ( 0.451 -0.704 0.143) 0.848 4.835 ( 2.131 0.851 0.336) 2.319 4.945 ( 0.050 -0.846 -1.033) 1.336 4.950 ( 0.026 1.069 1.159) 1.577 5.079 ( -0.134 -1.411 -3.019) 3.335 5.251 ( 3.484 1.480 -1.388) 4.031 5.349 ( -3.875 3.160 1.228) 5.149 5.406 ( 2.147 -5.494 4.938) 7.693 5.433 ( -0.619 3.630 -6.359) 7.348 5.745 ( 0.114 -0.203 -3.525) 3.533 5.861 ( -0.648 -0.500 8.433) 8.473 6.140 ( 2.062 -7.728 -3.522) 8.739 6.324 ( -1.638 -4.501 5.403) 7.221 6.891 ( 1.953 -4.676 -0.811) 5.132 7.309 ( -1.649 -4.392 -5.865) 7.511 7.415 ( 9.313 -2.156 13.898) 16.868 7.678 ( 8.660 6.603 -5.381) 12.147 8.112 ( 1.996 1.544 -2.102) 3.285 8.185 ( -0.776 0.773 0.779) 1.344 8.281 ( 6.069 2.788 -3.132) 7.377 8.509 ( -9.901 -1.594 2.199) 10.267 8.869 ( -1.516 0.602 -1.716) 2.367 ======================= Grid point 92 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -10.522 3.709 6.946) 13.142 0.629 ( -12.359 4.191 3.204) 13.438 0.862 ( -7.629 0.384 -2.837) 8.149 1.045 ( -12.177 7.510 -2.421) 14.510 1.121 ( -11.042 9.254 -3.166) 14.751 1.286 ( -6.974 6.682 1.434) 9.765 1.611 ( 1.823 -1.796 -0.666) 2.645 1.666 ( 4.327 -4.058 0.898) 6.000 1.717 ( 0.102 0.909 0.271) 0.954 1.849 ( -1.916 -3.833 -0.603) 4.328 1.880 ( 4.454 -5.666 0.839) 7.255 1.918 ( 0.838 4.739 0.103) 4.813 1.971 ( 1.003 -1.827 -0.049) 2.085 2.014 ( 2.304 -0.888 1.295) 2.788 2.058 ( -0.403 0.684 0.594) 0.992 2.114 ( -0.926 -1.083 -1.376) 1.981 2.193 ( -1.325 0.822 0.928) 1.815 2.257 ( 2.655 -1.244 -0.482) 2.972 2.275 ( -0.845 0.756 -1.673) 2.021 2.357 ( -1.331 1.594 1.291) 2.445 2.491 ( 2.430 -3.197 -0.772) 4.089 2.535 ( 2.582 -4.975 -1.808) 5.889 2.568 ( 3.822 -4.250 0.445) 5.733 2.607 ( 5.333 1.787 -0.313) 5.633 2.733 ( 0.824 0.219 -1.237) 1.502 2.888 ( 1.261 3.242 1.362) 3.735 2.972 ( 1.758 0.089 1.909) 2.597 3.017 ( -1.049 -1.593 -0.236) 1.922 3.103 ( -1.974 1.891 -0.349) 2.756 3.204 ( 1.610 0.083 -0.335) 1.646 4.067 ( 0.732 0.029 -0.444) 0.857 4.095 ( 0.303 1.092 0.302) 1.173 4.117 ( -0.187 0.203 -1.022) 1.059 4.130 ( -1.248 -1.613 1.391) 2.468 4.459 ( -0.518 -1.090 -1.836) 2.198 4.485 ( -2.022 0.461 2.501) 3.249 4.604 ( 1.271 0.083 -0.280) 1.304 4.652 ( 2.249 3.450 0.360) 4.134 4.769 ( 2.162 -1.609 -0.650) 2.773 4.861 ( 3.009 3.244 -1.427) 4.649 4.940 ( -0.387 1.245 1.807) 2.229 4.965 ( 1.753 -1.019 -0.440) 2.075 5.094 ( 2.720 -1.759 -0.991) 3.387 5.233 ( -3.971 2.258 -6.578) 8.009 5.251 ( -2.492 2.528 5.452) 6.506 5.359 ( 0.703 2.771 -4.753) 5.547 5.613 ( 6.291 -6.100 7.674) 11.648 5.752 ( 4.920 0.103 -5.926) 7.703 5.834 ( -5.171 -0.472 1.905) 5.531 6.230 ( -1.569 -12.037 -0.805) 12.165 6.430 ( 5.362 -6.091 6.886) 10.643 6.950 ( -0.554 -5.590 -0.947) 5.696 7.285 ( -4.846 -5.834 -8.416) 11.329 7.433 ( -4.338 9.793 13.482) 17.218 7.804 ( 7.432 2.354 -7.326) 10.698 8.021 ( -5.303 4.664 -1.010) 7.134 8.127 ( 1.770 8.849 0.873) 9.067 8.358 ( -7.671 -0.740 2.054) 7.976 8.532 ( 13.916 -7.568 -2.229) 15.997 8.866 ( 3.568 -0.135 -2.204) 4.196 ======================= Grid point 93 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( -11.394 -2.343 11.081) 16.065 0.399 ( -9.539 5.932 10.329) 15.260 0.635 ( -16.380 15.185 9.727) 24.362 0.743 ( -6.145 0.192 -4.263) 7.481 0.843 ( -10.040 9.359 -4.912) 14.578 1.237 ( 0.960 -1.544 -7.065) 7.295 1.627 ( -0.373 -0.078 0.409) 0.559 1.701 ( 0.719 0.825 -0.987) 1.474 1.782 ( 1.984 -5.030 1.695) 5.667 1.836 ( -2.797 -3.292 0.266) 4.328 1.880 ( 1.022 4.398 0.031) 4.515 1.934 ( -2.150 5.091 0.094) 5.527 1.957 ( -0.996 -3.406 -0.545) 3.590 2.021 ( -2.482 2.167 -0.072) 3.296 2.098 ( 3.269 -4.866 0.281) 5.869 2.153 ( 0.791 -2.318 -1.786) 3.031 2.181 ( 1.418 -0.032 3.006) 3.324 2.237 ( -0.845 1.503 -1.269) 2.141 2.271 ( 0.476 2.559 -0.881) 2.748 2.353 ( 0.328 0.130 -0.140) 0.379 2.586 ( 3.481 -4.738 -0.598) 5.910 2.600 ( 1.518 -3.191 -1.700) 3.922 2.649 ( 2.365 -1.505 -0.850) 2.929 2.700 ( 6.465 1.761 0.030) 6.701 2.749 ( 0.934 -0.370 -1.325) 1.663 2.862 ( -0.854 3.659 -0.576) 3.801 2.999 ( 0.975 0.479 4.152) 4.292 3.009 ( -1.039 -1.097 0.500) 1.591 3.044 ( -2.596 1.983 0.148) 3.270 3.222 ( 0.768 0.185 -1.572) 1.760 4.069 ( -0.480 0.291 1.364) 1.475 4.107 ( 1.693 -0.098 -1.205) 2.080 4.114 ( 0.005 -0.423 -0.881) 0.977 4.127 ( -0.629 -0.346 0.404) 0.823 4.447 ( -2.088 -0.600 0.894) 2.349 4.461 ( -0.265 -0.088 -0.120) 0.304 4.625 ( 0.965 -0.343 0.366) 1.088 4.646 ( 1.735 4.657 -1.150) 5.102 4.795 ( 0.424 0.017 -2.174) 2.215 4.872 ( 2.269 3.997 -2.234) 5.110 4.925 ( -0.756 0.893 2.317) 2.596 4.980 ( -0.780 -0.276 -0.562) 1.000 5.148 ( -0.272 -0.404 -2.886) 2.927 5.174 ( 0.209 1.039 2.526) 2.739 5.267 ( 4.085 -3.040 0.039) 5.092 5.356 ( 6.888 5.635 0.685) 8.926 5.643 ( -10.761 -1.132 -0.313) 10.825 5.661 ( -8.792 0.929 -1.343) 8.943 5.992 ( 16.081 -6.171 -2.270) 17.373 6.347 ( 3.135 -10.639 6.158) 12.686 6.643 ( 6.585 -14.949 6.120) 17.443 6.975 ( -2.020 -4.961 -1.226) 5.495 7.201 ( -5.873 -0.335 -5.035) 7.743 7.243 ( -10.482 8.792 8.559) 16.138 7.808 ( -0.155 0.100 -4.625) 4.628 7.898 ( -1.512 6.784 -0.774) 6.994 8.048 ( -4.251 5.298 -2.614) 7.278 8.207 ( -6.107 13.298 -3.308) 15.003 8.811 ( 10.052 -7.290 -0.225) 12.419 8.979 ( 7.211 -1.762 -3.388) 8.160 ======================= Grid point 95 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 13.842 0.000 5.287) 14.817 0.654 ( 8.193 0.000 12.386) 14.851 0.870 ( 10.472 0.000 -4.552) 11.419 0.929 ( 12.640 0.000 -8.050) 14.986 0.999 ( 17.871 0.000 6.127) 18.892 1.149 ( 3.100 0.000 -6.972) 7.630 1.628 ( -2.937 -0.000 -0.847) 3.057 1.653 ( -0.873 -0.000 0.003) 0.873 1.764 ( -1.379 -0.000 1.981) 2.414 1.839 ( -1.318 -0.000 0.445) 1.391 1.919 ( -4.486 -0.000 -0.483) 4.511 1.927 ( 0.632 0.000 0.313) 0.706 2.008 ( 1.302 0.000 -1.580) 2.047 2.011 ( 2.405 0.000 1.229) 2.701 2.060 ( 0.802 0.000 2.483) 2.609 2.109 ( -4.123 -0.000 -1.900) 4.540 2.230 ( 1.741 0.000 1.716) 2.444 2.251 ( -0.615 -0.000 -1.558) 1.675 2.280 ( 1.096 0.000 -1.258) 1.668 2.352 ( 1.157 0.000 1.123) 1.612 2.535 ( -5.878 -0.000 -0.329) 5.887 2.561 ( -6.005 -0.000 -0.013) 6.005 2.607 ( -1.978 -0.000 -3.712) 4.206 2.645 ( -2.084 -0.000 -0.799) 2.231 2.704 ( -3.676 -0.000 0.123) 3.678 2.787 ( 0.330 0.000 2.141) 2.166 3.021 ( -0.578 -0.000 1.751) 1.844 3.057 ( 1.832 0.000 -0.305) 1.857 3.136 ( 2.387 0.000 2.818) 3.693 3.137 ( -2.608 -0.000 -3.501) 4.366 4.033 ( -0.547 -0.000 0.183) 0.577 4.109 ( 0.581 0.000 -0.607) 0.840 4.124 ( -0.034 -0.000 -0.542) 0.543 4.153 ( 0.069 0.000 1.084) 1.086 4.406 ( 0.986 0.000 0.300) 1.030 4.543 ( 2.534 0.000 0.767) 2.648 4.625 ( -0.639 -0.000 -0.623) 0.892 4.669 ( 1.158 0.000 1.199) 1.667 4.762 ( -1.624 -0.000 -4.050) 4.364 4.780 ( -0.357 -0.000 -0.840) 0.913 4.896 ( -1.363 -0.000 1.741) 2.211 4.936 ( -2.650 -0.000 1.856) 3.235 5.106 ( -0.450 -0.000 -2.658) 2.696 5.284 ( -9.505 -0.000 -7.014) 11.813 5.288 ( 2.865 0.000 0.923) 3.010 5.342 ( 2.816 0.000 0.559) 2.871 5.557 ( -1.955 -0.000 -0.528) 2.025 5.757 ( 13.728 0.000 6.056) 15.005 6.066 ( -6.274 -0.000 -10.596) 12.314 6.143 ( -11.577 -0.000 11.513) 16.327 6.752 ( -7.966 -0.000 -8.473) 11.630 6.845 ( -5.004 -0.000 7.083) 8.672 7.131 ( 4.544 0.000 4.033) 6.075 7.448 ( 1.240 0.000 2.140) 2.473 7.800 ( 5.948 0.000 -6.651) 8.923 7.897 ( -1.911 -0.000 2.087) 2.829 8.114 ( 12.561 0.000 -7.490) 14.624 8.381 ( -12.504 -0.000 8.523) 15.132 8.627 ( 8.690 0.000 -6.830) 11.053 8.770 ( -9.648 -0.000 3.575) 10.289 ======================= Grid point 96 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 9.204 -0.852 8.329) 12.442 0.873 ( 12.640 2.628 2.743) 13.199 1.003 ( 3.713 0.643 -9.890) 10.583 1.024 ( 9.471 2.126 -4.359) 10.641 1.288 ( 11.870 -4.989 2.072) 13.042 1.332 ( 11.230 -7.827 0.475) 13.697 1.558 ( -3.009 2.938 -0.155) 4.208 1.625 ( -3.263 0.022 -0.587) 3.315 1.736 ( -1.842 1.339 1.715) 2.851 1.792 ( -8.417 1.640 0.559) 8.593 1.829 ( -1.895 -3.938 0.642) 4.418 1.870 ( -6.014 -0.199 -0.151) 6.019 2.010 ( -0.800 2.716 -0.349) 2.853 2.021 ( -0.865 3.060 -1.799) 3.653 2.076 ( 3.588 1.197 1.493) 4.066 2.109 ( 1.802 -2.340 -0.088) 2.955 2.231 ( -3.128 0.891 -0.113) 3.254 2.256 ( -1.869 -1.112 -1.186) 2.477 2.259 ( 1.185 1.658 0.226) 2.051 2.400 ( 3.750 -2.786 1.386) 4.873 2.467 ( -3.353 1.209 0.375) 3.584 2.475 ( -2.067 1.600 -0.505) 2.662 2.588 ( 1.385 1.404 -2.497) 3.182 2.593 ( -1.678 2.280 -0.023) 2.831 2.652 ( -2.150 -1.644 -0.644) 2.782 2.812 ( 0.800 -0.552 2.473) 2.657 2.996 ( -1.732 1.613 0.702) 2.469 3.074 ( -1.904 1.717 -1.280) 2.865 3.090 ( -0.101 -2.393 -1.413) 2.781 3.177 ( 1.114 -0.791 1.416) 1.968 4.033 ( 0.377 -0.299 -0.183) 0.515 4.116 ( 0.960 0.988 -0.405) 1.436 4.126 ( 0.321 -0.340 -0.417) 0.627 4.157 ( -0.028 0.043 1.850) 1.851 4.422 ( 0.854 -0.070 -0.311) 0.912 4.571 ( 1.115 1.299 0.301) 1.738 4.613 ( -0.723 -0.357 -1.519) 1.719 4.702 ( 1.691 -0.732 0.678) 1.964 4.735 ( -0.721 -0.677 -1.443) 1.750 4.776 ( -0.080 -0.026 -1.080) 1.083 4.885 ( -0.739 -0.637 1.577) 1.854 4.923 ( -0.533 -1.730 0.780) 1.971 5.089 ( 0.021 0.917 -3.199) 3.327 5.118 ( -6.994 -0.914 -4.995) 8.644 5.328 ( -0.120 1.231 -2.696) 2.967 5.386 ( 3.402 2.324 1.790) 4.492 5.485 ( -2.975 -1.337 -0.043) 3.262 5.928 ( 4.304 8.320 -0.385) 9.375 5.949 ( -3.522 0.229 4.010) 5.342 6.072 ( -2.260 -5.606 5.479) 8.158 6.577 ( -3.511 6.203 -5.854) 9.224 6.837 ( -5.321 -7.995 4.916) 10.788 7.070 ( -4.706 10.426 4.221) 12.193 7.427 ( -7.969 -2.163 -0.127) 8.258 7.860 ( -3.208 -2.766 -2.294) 4.817 7.921 ( -1.962 -10.076 1.262) 10.342 8.183 ( -6.162 -0.335 2.584) 6.690 8.288 ( 10.264 0.411 -8.724) 13.477 8.609 ( 2.310 11.558 3.782) 12.378 8.807 ( 4.140 -5.244 -1.146) 6.779 ======================= Grid point 97 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 5.540 2.136 -2.453) 6.424 1.009 ( 5.147 -0.645 1.172) 5.318 1.027 ( 7.684 3.622 -0.751) 8.528 1.143 ( 7.749 3.821 -1.132) 8.714 1.452 ( -0.300 0.657 0.281) 0.775 1.493 ( 2.647 -4.656 0.162) 5.358 1.534 ( -3.540 4.005 -0.528) 5.371 1.552 ( 0.203 -5.138 0.439) 5.161 1.646 ( -4.572 0.520 0.860) 4.681 1.721 ( -1.173 -3.838 0.365) 4.030 1.774 ( -6.366 -2.828 -0.502) 6.984 1.862 ( -1.083 -5.852 1.640) 6.173 1.942 ( -0.937 4.307 -0.323) 4.420 1.998 ( 0.393 2.190 -2.214) 3.139 2.113 ( -0.647 0.288 0.564) 0.905 2.125 ( -0.744 0.446 1.521) 1.751 2.168 ( -0.671 -1.256 -1.858) 2.341 2.223 ( -3.335 -1.726 0.186) 3.759 2.296 ( 4.426 3.061 0.429) 5.398 2.396 ( -0.031 5.800 -0.087) 5.801 2.428 ( -0.954 4.555 0.301) 4.664 2.510 ( 3.865 -3.178 0.252) 5.010 2.550 ( -0.413 0.292 0.430) 0.664 2.621 ( -1.038 -1.888 1.080) 2.410 2.663 ( 4.301 -0.785 -3.824) 5.808 2.819 ( 0.369 3.545 1.968) 4.071 2.961 ( -0.202 0.899 -0.302) 0.970 3.012 ( -2.888 1.347 -0.639) 3.250 3.108 ( -0.400 -2.054 -0.565) 2.168 3.196 ( -0.025 -0.781 0.649) 1.016 4.047 ( 0.946 -0.172 -0.226) 0.987 4.118 ( -0.111 0.592 0.870) 1.058 4.132 ( 1.228 1.303 -0.727) 1.933 4.169 ( 0.530 -0.635 1.640) 1.837 4.432 ( 0.601 -0.022 -1.235) 1.374 4.549 ( -1.267 2.401 -1.872) 3.298 4.604 ( 0.029 -0.380 -1.625) 1.669 4.723 ( 0.262 0.452 -0.266) 0.586 4.747 ( 0.920 -1.056 1.047) 1.749 4.766 ( -0.278 0.044 -1.702) 1.725 4.893 ( -0.167 -1.405 0.922) 1.689 4.941 ( 0.074 -1.834 -0.536) 1.912 5.053 ( -1.542 -0.974 -1.485) 2.352 5.092 ( 1.492 -1.454 -2.041) 2.916 5.214 ( -5.343 1.900 -1.627) 5.900 5.477 ( 6.536 -0.372 3.167) 7.273 5.547 ( 7.022 -0.489 0.599) 7.064 5.833 ( -5.708 2.627 6.807) 9.264 5.885 ( -4.723 3.471 -3.527) 6.840 6.116 ( 1.960 3.748 1.742) 4.574 6.493 ( -4.301 -1.161 -5.761) 7.283 6.846 ( -4.841 -5.456 10.866) 13.087 6.863 ( -9.317 2.074 0.706) 9.572 7.283 ( -9.217 -3.528 -3.539) 10.484 7.738 ( -9.115 -0.015 5.511) 10.652 7.998 ( 1.874 -4.810 -2.481) 5.727 8.181 ( -0.428 -3.040 -3.340) 4.537 8.392 ( 6.277 1.162 -6.076) 8.813 8.628 ( 8.652 8.501 4.214) 12.841 8.884 ( 1.681 -1.264 -0.134) 2.107 ======================= Grid point 98 (38/95) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -0.174 4.025 -3.489) 5.329 1.068 ( 3.318 7.611 -1.739) 8.483 1.100 ( 1.642 0.100 3.119) 3.527 1.165 ( -0.492 5.452 0.047) 5.474 1.427 ( 1.732 1.138 -1.336) 2.465 1.455 ( -1.263 2.211 -0.629) 2.623 1.495 ( -1.593 -0.767 0.727) 1.912 1.562 ( -1.825 -5.277 0.396) 5.597 1.687 ( 0.821 -4.683 0.262) 4.761 1.726 ( -3.182 -5.201 -0.776) 6.146 1.775 ( 0.617 -4.754 0.332) 4.805 1.886 ( -2.226 -2.930 1.300) 3.902 1.920 ( 2.083 1.891 0.349) 2.835 1.966 ( -2.230 -0.014 -1.649) 2.773 2.088 ( -0.505 -1.948 -0.010) 2.012 2.140 ( -1.921 0.834 0.206) 2.105 2.158 ( 0.750 -2.346 0.170) 2.468 2.202 ( -1.100 -0.744 0.240) 1.349 2.321 ( 2.060 5.087 0.587) 5.520 2.335 ( -0.594 6.159 -0.416) 6.201 2.394 ( 3.622 4.748 0.040) 5.972 2.537 ( 0.451 -0.608 0.220) 0.788 2.550 ( -5.197 -0.716 1.558) 5.473 2.622 ( 1.648 0.385 -2.518) 3.034 2.745 ( 2.406 0.541 0.676) 2.557 2.806 ( 4.789 1.605 -1.920) 5.403 2.952 ( -0.934 2.015 0.728) 2.337 2.974 ( 0.185 -0.078 0.088) 0.219 3.116 ( -0.475 -1.910 -0.478) 2.025 3.198 ( -0.720 -0.803 0.318) 1.125 4.064 ( 1.248 0.260 -0.225) 1.295 4.106 ( -1.165 0.008 1.465) 1.872 4.138 ( 1.553 2.114 -0.856) 2.760 4.181 ( -0.330 0.144 1.381) 1.427 4.434 ( 0.038 -0.450 -2.244) 2.289 4.498 ( -0.830 1.993 -2.339) 3.183 4.607 ( 0.435 0.091 -1.128) 1.213 4.707 ( -0.690 1.111 -0.463) 1.388 4.742 ( -0.634 0.518 -1.268) 1.510 4.799 ( 2.342 -0.940 1.145) 2.771 4.909 ( 0.117 -1.631 0.008) 1.635 4.951 ( -0.329 -1.318 -0.312) 1.393 5.031 ( -0.627 -0.119 -1.400) 1.538 5.155 ( 0.785 -5.348 3.968) 6.705 5.198 ( 4.874 0.013 -1.163) 5.011 5.552 ( -3.318 0.637 5.004) 6.038 5.661 ( 2.760 -0.663 -4.311) 5.162 5.721 ( 0.525 9.956 -2.543) 10.289 5.807 ( 1.199 -1.224 6.279) 6.508 6.081 ( 0.038 4.633 -2.578) 5.302 6.328 ( -14.891 -3.415 2.299) 15.450 6.770 ( -1.680 -3.025 -1.032) 3.611 6.974 ( 6.616 -9.599 9.536) 15.061 7.205 ( -5.769 -9.019 -6.417) 12.482 7.659 ( -3.200 -1.633 5.485) 6.557 8.050 ( 1.612 -2.577 -4.410) 5.356 8.165 ( -2.210 -0.089 -2.785) 3.556 8.435 ( 3.563 3.568 -4.426) 6.709 8.683 ( 4.283 8.113 4.902) 10.402 8.899 ( 0.711 0.855 -0.786) 1.362 ======================= Grid point 99 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -5.061 9.274 -1.014) 10.614 0.971 ( -3.424 10.498 -0.123) 11.043 1.044 ( -4.130 5.020 -0.878) 6.560 1.114 ( -1.052 0.133 -0.769) 1.310 1.457 ( 1.652 -1.662 0.428) 2.382 1.480 ( 2.708 -0.731 -1.020) 2.984 1.525 ( -4.672 -0.172 -0.536) 4.706 1.564 ( 4.319 -5.775 0.817) 7.258 1.730 ( -0.114 2.324 0.395) 2.360 1.755 ( -0.797 -5.873 -0.381) 5.939 1.794 ( -0.569 -1.619 0.076) 1.717 1.856 ( -2.408 1.620 1.102) 3.104 1.917 ( -2.497 -2.232 -0.911) 3.471 1.975 ( 2.626 -1.928 0.894) 3.378 2.088 ( -0.409 3.068 -0.595) 3.152 2.128 ( 1.449 -1.560 0.299) 2.150 2.177 ( -0.238 -1.601 -0.023) 1.619 2.215 ( -0.483 -3.292 0.577) 3.377 2.278 ( -0.836 3.481 0.893) 3.690 2.311 ( 1.555 -0.375 -0.881) 1.826 2.427 ( 2.565 1.954 -0.620) 3.284 2.462 ( -2.551 2.610 1.617) 3.992 2.560 ( 1.262 0.144 -0.098) 1.274 2.588 ( -2.027 1.896 -2.320) 3.618 2.754 ( 0.508 0.893 -0.580) 1.180 2.903 ( 5.551 -0.167 -0.206) 5.558 2.931 ( 0.695 1.710 1.034) 2.116 2.987 ( 0.750 -0.481 -0.015) 0.891 3.128 ( -0.108 -1.449 -0.161) 1.462 3.192 ( -0.786 -0.550 0.102) 0.965 4.077 ( 0.785 0.922 -0.513) 1.315 4.095 ( -0.797 -0.790 1.444) 1.829 4.132 ( 0.447 1.951 -1.072) 2.271 4.162 ( -1.282 1.221 1.049) 2.058 4.431 ( -0.465 -1.181 -1.998) 2.367 4.485 ( 0.861 0.246 -0.623) 1.091 4.608 ( 0.369 0.561 -0.617) 0.912 4.687 ( -0.374 0.730 -0.477) 0.949 4.731 ( 0.150 0.266 0.604) 0.676 4.853 ( 4.398 0.976 0.779) 4.572 4.923 ( -0.013 -1.318 -0.737) 1.510 4.958 ( -0.028 -0.574 0.491) 0.755 5.037 ( -0.259 -2.562 -1.799) 3.141 5.233 ( 1.068 -4.294 5.099) 6.752 5.324 ( 10.249 0.038 -1.442) 10.350 5.415 ( -8.385 3.186 4.201) 9.905 5.530 ( -5.782 4.224 -7.474) 10.351 5.769 ( 4.473 3.242 -3.083) 6.327 5.870 ( 0.766 1.600 5.625) 5.898 6.043 ( -1.499 -2.028 -5.053) 5.648 6.222 ( -3.446 -5.552 10.123) 12.049 6.785 ( -2.458 -5.901 -1.841) 6.652 7.201 ( 1.507 -8.239 -10.179) 13.182 7.288 ( 9.809 -11.005 12.846) 19.554 7.695 ( 1.842 -5.385 2.013) 6.037 8.054 ( -7.319 -6.173 -2.084) 9.799 8.122 ( 1.520 1.128 -4.523) 4.903 8.429 ( 3.776 6.733 -2.714) 8.182 8.622 ( -2.117 10.431 4.949) 11.738 8.899 ( 1.926 2.817 -2.336) 4.136 ======================= Grid point 100 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -7.304 11.797 1.344) 13.940 0.793 ( -5.586 11.495 2.638) 13.050 0.926 ( -2.969 6.280 -2.129) 7.265 1.085 ( -1.562 -0.244 -5.912) 6.120 1.312 ( -10.578 9.586 2.003) 14.416 1.515 ( -7.619 11.032 -0.199) 13.409 1.556 ( 3.311 -5.339 1.446) 6.447 1.586 ( 1.060 1.375 0.318) 1.765 1.715 ( 3.913 -7.095 -0.089) 8.103 1.767 ( -1.892 -1.044 0.498) 2.217 1.799 ( 0.514 -0.892 -0.406) 1.107 1.896 ( 1.841 -5.836 0.408) 6.133 1.920 ( 0.229 -4.545 -0.055) 4.551 2.040 ( -0.956 2.992 -0.066) 3.142 2.047 ( 3.142 -0.127 0.191) 3.150 2.150 ( -1.220 2.811 -0.630) 3.128 2.211 ( 2.703 -3.113 0.525) 4.157 2.228 ( -1.004 2.645 1.649) 3.275 2.246 ( 0.022 -4.275 -1.058) 4.404 2.365 ( -1.689 -3.011 0.481) 3.486 2.418 ( 3.016 -2.175 -1.129) 3.886 2.476 ( 0.910 0.471 -1.339) 1.687 2.522 ( 0.215 -0.228 0.261) 0.408 2.621 ( 4.072 -0.501 -0.228) 4.109 2.742 ( 0.086 0.946 -1.412) 1.702 2.942 ( 1.851 2.088 1.212) 3.043 2.974 ( 2.866 0.143 1.445) 3.213 2.996 ( -0.514 -0.753 0.003) 0.912 3.124 ( -1.515 0.215 0.233) 1.548 3.198 ( 1.122 -0.819 -0.806) 1.606 4.071 ( -0.409 -0.035 -0.245) 0.478 4.102 ( 0.388 -0.236 0.165) 0.484 4.117 ( -0.202 0.993 0.420) 1.097 4.132 ( -0.765 1.208 -0.435) 1.495 4.434 ( -0.093 -1.294 -0.934) 1.598 4.489 ( -1.275 -0.047 1.206) 1.755 4.608 ( 0.395 0.241 0.281) 0.541 4.686 ( 0.829 0.122 -0.032) 0.838 4.748 ( 1.663 -0.601 0.528) 1.845 4.923 ( 2.564 2.187 -0.890) 3.485 4.934 ( 1.377 -0.973 -0.418) 1.737 4.976 ( 3.858 1.624 0.573) 4.225 5.056 ( 1.770 -2.474 -0.845) 3.157 5.265 ( -3.724 0.805 -3.347) 5.071 5.296 ( -2.354 1.785 6.575) 7.209 5.395 ( -2.886 -0.760 -0.461) 3.020 5.533 ( 11.657 0.907 -0.351) 11.698 5.774 ( 2.665 1.950 -5.362) 6.298 5.829 ( -4.739 0.356 -0.287) 4.761 6.038 ( -3.509 -7.172 1.791) 8.183 6.321 ( 3.095 -5.292 7.626) 9.785 6.778 ( -6.250 -10.206 -4.246) 12.698 7.245 ( 2.258 0.003 -5.929) 6.345 7.544 ( 2.259 -2.206 14.237) 14.583 7.790 ( 1.712 -4.972 -3.927) 6.563 7.968 ( -7.325 -9.176 -0.617) 11.757 8.165 ( 3.576 -1.072 -1.293) 3.951 8.420 ( -0.958 2.789 -2.068) 3.602 8.518 ( 4.904 9.402 3.119) 11.053 8.900 ( 3.954 3.844 -5.287) 7.640 ======================= Grid point 101 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -4.027 10.742 6.419) 13.146 0.595 ( -5.068 13.240 5.352) 15.153 0.818 ( -1.070 7.622 -3.370) 8.402 0.965 ( -7.335 14.178 -0.613) 15.975 1.046 ( -8.102 10.181 -4.093) 13.639 1.253 ( -5.554 7.532 0.645) 9.381 1.618 ( 0.553 -0.998 1.588) 1.956 1.668 ( 1.652 -5.825 -0.035) 6.055 1.731 ( 0.937 1.422 -0.765) 1.867 1.779 ( -1.752 -3.311 0.169) 3.750 1.875 ( 1.934 -4.875 0.637) 5.283 1.957 ( -0.563 2.437 -0.488) 2.549 1.975 ( 2.429 -4.771 0.160) 5.356 2.002 ( -1.179 -1.693 -0.275) 2.081 2.078 ( -1.764 3.747 1.241) 4.324 2.093 ( 0.787 -1.537 -2.117) 2.732 2.198 ( -0.079 1.765 1.921) 2.610 2.259 ( 0.147 -0.694 -1.499) 1.658 2.287 ( 1.505 -1.307 -0.926) 2.197 2.351 ( -0.676 -0.568 0.390) 0.965 2.488 ( 1.805 -4.321 -0.634) 4.726 2.516 ( 1.595 -4.865 -0.786) 5.179 2.574 ( 1.804 -3.352 0.580) 3.850 2.705 ( 3.768 -3.030 -2.240) 5.329 2.758 ( 4.027 1.231 -0.761) 4.279 2.924 ( -2.180 2.330 0.141) 3.194 3.002 ( 1.196 0.316 0.354) 1.286 3.010 ( 1.143 0.415 3.804) 3.994 3.080 ( -2.635 1.621 0.445) 3.125 3.223 ( 1.173 -0.319 -1.961) 2.308 4.069 ( -0.215 -0.719 -0.132) 0.762 4.098 ( -1.214 -0.150 0.542) 1.337 4.114 ( 0.663 0.459 -0.258) 0.846 4.125 ( 0.922 0.292 -0.729) 1.211 4.447 ( 0.574 -0.891 -0.896) 1.388 4.451 ( -2.956 0.349 2.182) 3.691 4.620 ( 0.784 -0.079 1.191) 1.428 4.695 ( 0.240 0.256 -0.299) 0.461 4.790 ( 1.780 -0.624 -0.813) 2.053 4.927 ( 0.996 0.947 -0.644) 1.518 4.946 ( 0.346 -0.460 -0.202) 0.610 5.012 ( 2.476 3.391 -3.880) 5.717 5.151 ( -1.242 0.608 -3.192) 3.479 5.175 ( 4.577 -0.434 1.853) 4.957 5.264 ( -1.519 2.197 0.722) 2.767 5.449 ( 8.516 2.083 7.302) 11.409 5.613 ( -4.767 -0.197 2.107) 5.215 5.678 ( -9.505 0.340 -4.659) 10.591 5.857 ( 5.314 -4.213 -3.573) 7.665 6.142 ( 7.640 -8.508 7.676) 13.772 6.419 ( -1.920 -9.103 2.754) 9.702 6.770 ( -5.740 -12.625 -5.585) 14.951 7.245 ( 2.088 4.217 -0.980) 4.807 7.430 ( -12.477 7.066 7.548) 16.204 7.801 ( -0.632 -0.501 -2.552) 2.677 7.993 ( -2.732 -3.994 6.277) 7.926 8.157 ( 0.913 11.465 -2.555) 11.781 8.399 ( 2.640 0.263 -3.805) 4.638 8.637 ( 5.960 -7.284 2.271) 9.682 8.949 ( 7.525 0.729 -10.743) 13.137 ======================= Grid point 102 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 4.163 8.334 11.432) 14.747 0.430 ( -1.038 13.262 8.031) 15.538 0.704 ( -0.280 13.964 5.264) 14.926 0.734 ( -0.865 13.960 2.143) 14.150 0.823 ( 0.454 11.371 -6.916) 13.316 1.200 ( -0.417 -2.026 -7.301) 7.588 1.625 ( -0.427 -0.430 1.714) 1.818 1.699 ( 0.143 -0.169 -1.595) 1.610 1.767 ( -0.571 -3.528 0.836) 3.670 1.796 ( 1.559 -2.273 0.907) 2.902 1.875 ( -3.002 0.443 0.388) 3.059 1.944 ( 2.071 1.865 -2.037) 3.452 1.977 ( 0.938 2.545 0.664) 2.792 2.002 ( -2.237 1.632 0.629) 2.840 2.085 ( 1.529 -5.385 0.060) 5.598 2.105 ( -1.581 -2.260 -1.926) 3.364 2.193 ( -0.699 -0.523 1.736) 1.943 2.274 ( 2.790 1.151 -2.077) 3.664 2.297 ( 0.198 1.442 0.335) 1.494 2.341 ( -1.437 -0.038 -1.157) 1.845 2.563 ( -0.917 -5.575 -0.174) 5.653 2.578 ( 1.705 -5.896 -0.237) 6.142 2.634 ( 0.742 -4.892 0.957) 5.040 2.744 ( -1.225 -1.338 -5.542) 5.832 2.818 ( 1.364 2.654 0.479) 3.022 2.845 ( -1.583 2.705 -0.692) 3.209 3.016 ( 0.723 1.224 0.925) 1.696 3.022 ( -1.140 1.498 0.353) 1.915 3.042 ( 1.575 0.460 4.585) 4.870 3.222 ( -0.374 0.545 -2.817) 2.893 4.066 ( -0.735 0.445 0.648) 1.076 4.091 ( -0.686 -1.800 -0.141) 1.931 4.120 ( 0.523 0.208 -0.277) 0.628 4.139 ( 1.029 0.218 -0.920) 1.398 4.408 ( -2.031 0.375 1.826) 2.757 4.470 ( 1.348 -0.517 -0.454) 1.513 4.635 ( 0.342 0.023 1.526) 1.564 4.682 ( -0.367 1.870 -1.390) 2.359 4.806 ( 0.982 0.408 -1.784) 2.077 4.922 ( -2.939 2.558 -1.462) 4.162 4.928 ( -1.586 3.085 -5.367) 6.390 4.971 ( 1.887 -0.674 -0.983) 2.232 5.171 ( 3.146 0.950 1.465) 3.598 5.224 ( 1.503 2.401 0.636) 2.903 5.294 ( 3.204 -2.423 2.115) 4.540 5.329 ( -14.771 1.052 -2.474) 15.013 5.547 ( 3.250 5.653 0.299) 6.527 5.616 ( -1.905 2.906 1.049) 3.630 6.107 ( 12.805 -15.406 9.292) 22.083 6.339 ( -4.872 -8.831 -1.875) 10.258 6.516 ( 1.938 -17.068 10.264) 20.011 6.809 ( -0.937 -11.521 -5.053) 12.615 7.164 ( -10.216 8.266 4.767) 13.979 7.266 ( 7.217 6.313 2.567) 9.926 7.814 ( 2.338 -0.612 0.811) 2.550 7.973 ( 0.355 2.694 2.443) 3.654 8.043 ( 1.105 11.058 -1.724) 11.246 8.341 ( 0.545 16.138 -14.738) 21.862 8.775 ( -3.508 -11.288 4.401) 12.613 9.002 ( -0.223 -1.015 -11.032) 11.081 ======================= Grid point 105 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 7.593 0.000 5.512) 9.383 1.017 ( 2.642 0.000 -8.710) 9.102 1.099 ( 11.375 0.000 1.566) 11.482 1.202 ( 9.826 0.000 -1.714) 9.974 1.399 ( 4.331 0.000 -0.122) 4.333 1.436 ( 4.531 0.000 1.641) 4.819 1.534 ( -1.838 -0.000 0.704) 1.968 1.565 ( -3.352 -0.000 -1.189) 3.557 1.658 ( -8.604 -0.000 1.350) 8.709 1.716 ( -6.545 -0.000 -1.743) 6.773 1.742 ( -1.089 -0.000 2.605) 2.823 1.768 ( -5.218 -0.000 0.724) 5.268 2.002 ( -1.310 -0.000 -1.712) 2.156 2.012 ( -0.889 -0.000 -0.335) 0.950 2.106 ( -0.893 -0.000 -0.512) 1.029 2.130 ( 0.724 0.000 1.129) 1.341 2.160 ( -4.574 -0.000 -1.688) 4.875 2.203 ( -1.226 -0.000 0.043) 1.227 2.347 ( 6.411 0.000 0.753) 6.455 2.441 ( 2.763 0.000 1.651) 3.219 2.470 ( 0.778 0.000 -1.007) 1.273 2.476 ( 1.161 0.000 0.532) 1.277 2.562 ( -4.439 -0.000 1.229) 4.606 2.595 ( 0.121 0.000 -0.446) 0.463 2.656 ( 5.747 0.000 -3.361) 6.658 2.861 ( 2.930 0.000 2.543) 3.880 2.975 ( -2.153 -0.000 0.029) 2.153 3.021 ( -2.819 -0.000 -2.390) 3.696 3.087 ( -0.038 -0.000 0.019) 0.043 3.184 ( -0.309 -0.000 0.718) 0.782 4.045 ( 1.163 0.000 -0.130) 1.170 4.122 ( -0.321 -0.000 0.632) 0.709 4.149 ( 2.256 0.000 -1.412) 2.661 4.162 ( 0.184 0.000 2.010) 2.018 4.432 ( 0.646 0.000 -0.616) 0.892 4.578 ( -1.400 -0.000 -0.322) 1.437 4.600 ( 0.119 0.000 -1.871) 1.875 4.720 ( 1.794 0.000 -5.461) 5.748 4.743 ( 0.814 0.000 4.718) 4.788 4.766 ( -0.695 -0.000 -1.332) 1.503 4.878 ( -0.427 -0.000 1.731) 1.782 4.916 ( 1.163 0.000 -1.326) 1.764 5.036 ( -0.541 -0.000 -1.079) 1.207 5.090 ( 0.675 0.000 -3.793) 3.852 5.245 ( -7.326 -0.000 -4.168) 8.428 5.457 ( 3.570 0.000 -1.554) 3.894 5.548 ( 9.329 0.000 4.854) 10.517 5.827 ( -9.524 -0.000 12.276) 15.537 5.950 ( -2.379 -0.000 -10.315) 10.586 6.156 ( 6.341 0.000 5.558) 8.432 6.510 ( -6.702 -0.000 -3.898) 7.753 6.749 ( -2.986 -0.000 7.814) 8.365 6.899 ( -17.530 -0.000 3.203) 17.820 7.239 ( -13.742 -0.000 -3.993) 14.310 7.760 ( -6.571 -0.000 4.768) 8.119 7.907 ( 3.472 0.000 1.096) 3.641 8.149 ( 1.549 0.000 -5.439) 5.655 8.407 ( 7.198 0.000 -7.082) 10.098 8.748 ( 6.753 0.000 3.408) 7.564 8.853 ( 3.257 0.000 1.026) 3.415 ======================= Grid point 106 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.438 1.377 -5.092) 5.811 1.098 ( 3.178 -0.060 3.807) 4.959 1.219 ( 5.815 7.148 0.101) 9.215 1.311 ( 6.763 6.730 -0.574) 9.558 1.436 ( -2.507 -4.117 0.550) 4.851 1.469 ( 0.159 1.310 -0.666) 1.479 1.495 ( -2.976 1.358 -0.091) 3.272 1.520 ( -1.897 0.980 0.104) 2.137 1.574 ( -1.276 -6.015 0.835) 6.205 1.630 ( -4.346 -3.668 -0.827) 5.747 1.692 ( -1.387 -1.125 1.065) 2.080 1.768 ( -2.789 -6.522 1.483) 7.247 1.972 ( 0.178 2.300 -0.902) 2.477 1.998 ( -1.099 1.215 -1.296) 2.089 2.062 ( -2.446 -0.271 0.210) 2.469 2.091 ( -2.850 -2.674 -0.654) 3.963 2.160 ( 0.761 0.219 0.745) 1.087 2.204 ( 0.679 0.140 -0.287) 0.750 2.425 ( 3.588 5.099 0.944) 6.305 2.449 ( -0.465 4.678 -0.207) 4.706 2.461 ( 0.786 1.819 -0.366) 2.015 2.512 ( 0.270 -2.240 0.228) 2.268 2.516 ( -1.685 -2.808 2.113) 3.897 2.624 ( 3.215 0.102 -2.210) 3.903 2.761 ( 6.950 0.628 -1.547) 7.148 2.862 ( -0.691 3.659 0.573) 3.767 2.955 ( -1.886 -2.012 -0.525) 2.807 2.988 ( 0.650 1.112 -0.192) 1.302 3.085 ( -0.584 -0.773 0.272) 1.006 3.175 ( -1.326 -1.161 -0.018) 1.762 4.066 ( 1.423 0.046 -0.074) 1.426 4.110 ( -1.392 0.217 1.713) 2.218 4.172 ( 1.276 0.895 -0.348) 1.597 4.181 ( 1.392 0.111 -0.566) 1.507 4.437 ( 0.310 0.406 -1.039) 1.158 4.539 ( -1.495 1.643 -0.850) 2.378 4.601 ( 0.399 -0.379 -2.050) 2.123 4.723 ( -0.487 0.570 -2.643) 2.747 4.750 ( -0.591 0.151 -1.261) 1.401 4.777 ( 2.599 -1.019 1.586) 3.211 4.882 ( -0.146 -0.898 1.585) 1.827 4.932 ( -0.108 -0.317 -1.265) 1.309 5.049 ( -1.014 1.640 -1.451) 2.413 5.085 ( 0.762 -2.331 0.992) 2.645 5.199 ( 5.728 0.026 -2.125) 6.110 5.493 ( -2.249 -3.413 -0.174) 4.092 5.720 ( 6.524 4.014 4.648) 8.960 5.781 ( 2.740 -1.600 10.026) 10.517 5.845 ( -3.414 2.750 -10.998) 11.840 6.169 ( -7.975 0.752 -1.113) 8.087 6.335 ( -8.109 5.888 8.440) 13.102 6.724 ( -2.700 -1.056 -2.239) 3.663 6.792 ( 0.937 -7.911 8.755) 11.837 7.009 ( -14.281 -8.223 -7.136) 17.958 7.675 ( -4.407 1.727 6.106) 7.726 7.967 ( 0.106 -3.530 -0.759) 3.612 8.156 ( 0.531 -0.838 -7.573) 7.638 8.494 ( 6.512 1.955 -5.153) 8.531 8.834 ( 4.673 6.375 3.355) 8.587 8.905 ( 2.663 -1.140 1.868) 3.447 ======================= Grid point 107 (45/95) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.121 5.471 -1.826) 5.769 1.119 ( -0.617 1.321 2.533) 2.922 1.171 ( -1.914 7.754 -0.451) 7.999 1.231 ( -0.852 13.572 -1.408) 13.671 1.461 ( -0.426 2.332 0.685) 2.468 1.467 ( 1.714 -1.149 -1.454) 2.524 1.473 ( -1.862 -4.700 0.009) 5.055 1.493 ( 2.827 -0.716 0.749) 3.011 1.638 ( -0.195 -5.788 0.463) 5.810 1.659 ( 2.360 -5.558 -0.992) 6.120 1.748 ( 1.173 -5.459 1.482) 5.777 1.792 ( -1.774 -6.506 0.356) 6.753 1.928 ( -3.002 2.186 -1.054) 3.860 1.977 ( 1.986 1.460 -0.233) 2.476 2.068 ( 0.467 -2.222 -0.399) 2.305 2.086 ( -0.826 -3.136 -0.282) 3.255 2.173 ( 0.562 -0.504 1.459) 1.642 2.202 ( -0.236 1.817 0.020) 1.832 2.365 ( -2.361 5.771 0.579) 6.262 2.373 ( -3.323 3.582 0.899) 4.968 2.456 ( -0.380 1.819 -1.119) 2.170 2.520 ( 0.560 1.264 1.475) 2.022 2.554 ( 3.242 0.174 0.558) 3.295 2.628 ( -1.962 1.872 -4.227) 5.022 2.783 ( 0.645 2.674 0.271) 2.764 2.905 ( 5.909 -0.070 -1.128) 6.016 2.938 ( -1.002 -1.231 0.433) 1.646 2.993 ( 0.538 1.151 0.106) 1.275 3.093 ( 0.003 -1.676 0.935) 1.919 3.167 ( -1.210 -1.833 -0.433) 2.239 4.087 ( -1.602 0.149 1.622) 2.285 4.090 ( 1.315 0.101 0.184) 1.332 4.173 ( 0.496 1.515 -1.859) 2.449 4.183 ( -0.458 1.116 0.038) 1.207 4.428 ( -0.095 0.839 -0.946) 1.268 4.506 ( -0.132 1.780 -0.491) 1.851 4.606 ( 0.181 -0.685 -1.661) 1.805 4.691 ( -1.649 -0.050 -2.093) 2.665 4.739 ( -0.072 0.368 -0.425) 0.567 4.858 ( 5.505 -0.624 0.352) 5.551 4.901 ( 1.012 -1.329 0.934) 1.914 4.926 ( -0.497 -1.461 -0.188) 1.554 5.009 ( -1.648 -0.299 0.056) 1.676 5.161 ( 3.290 -2.623 5.360) 6.815 5.345 ( 11.340 1.426 -4.261) 12.198 5.432 ( -7.762 -1.711 4.474) 9.121 5.618 ( -6.430 6.061 -6.474) 10.954 5.813 ( -0.376 -0.443 -2.849) 2.908 5.914 ( 3.643 2.441 3.498) 5.609 6.022 ( -4.295 -3.224 3.210) 6.257 6.222 ( -0.138 9.377 7.106) 11.766 6.688 ( -5.743 -3.601 -3.823) 7.782 6.981 ( 2.601 -14.361 -11.298) 18.456 7.004 ( 5.891 -16.252 12.205) 21.161 7.620 ( -4.296 -1.415 5.869) 7.409 7.957 ( -4.924 -3.730 -2.235) 6.569 8.136 ( -0.749 0.035 -5.800) 5.848 8.550 ( 6.071 5.093 -4.655) 9.191 8.794 ( -2.917 6.659 7.173) 10.213 8.965 ( 5.050 3.368 -2.371) 6.517 ======================= Grid point 108 (46/95) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -4.167 11.478 -0.190) 12.213 1.023 ( -3.467 11.166 1.190) 11.752 1.082 ( -0.945 5.105 -0.297) 5.201 1.113 ( 0.092 8.229 -3.260) 8.852 1.443 ( -3.254 2.888 0.759) 4.417 1.473 ( 1.603 -2.079 0.868) 2.765 1.531 ( 3.383 -1.672 -1.584) 4.092 1.571 ( 2.888 -5.409 0.710) 6.173 1.700 ( 0.255 -4.719 0.230) 4.731 1.752 ( 1.721 -1.931 0.349) 2.610 1.777 ( -1.470 1.848 0.563) 2.428 1.812 ( 0.057 -4.303 0.068) 4.304 1.857 ( -2.685 1.523 -0.378) 3.110 2.013 ( 1.839 -1.281 -0.171) 2.248 2.093 ( 0.362 -1.282 -0.668) 1.490 2.133 ( 2.321 -3.724 -0.167) 4.391 2.169 ( -0.656 0.955 0.742) 1.375 2.196 ( 0.034 -0.695 1.405) 1.568 2.287 ( -3.500 2.646 2.470) 5.036 2.301 ( -0.578 -0.045 -0.417) 0.714 2.430 ( 0.801 1.899 -1.523) 2.562 2.511 ( -2.228 2.008 -1.923) 3.563 2.541 ( -1.365 1.424 -0.487) 2.032 2.609 ( 3.156 0.206 0.118) 3.165 2.767 ( -0.143 1.615 -1.515) 2.219 2.951 ( 0.186 -1.334 0.977) 1.664 2.977 ( 2.865 -0.009 0.314) 2.882 2.991 ( 0.281 0.396 0.223) 0.534 3.113 ( -0.290 -1.141 1.527) 1.928 3.173 ( 0.575 -1.663 -1.223) 2.142 4.065 ( -1.603 -0.270 1.585) 2.270 4.109 ( 1.140 0.409 -0.135) 1.219 4.150 ( -0.056 1.975 -3.060) 3.643 4.155 ( -1.320 1.213 0.763) 1.948 4.421 ( 0.183 0.252 0.059) 0.317 4.492 ( -0.644 0.616 0.070) 0.894 4.609 ( 0.056 -0.261 -0.142) 0.302 4.672 ( -0.715 -1.246 -1.211) 1.879 4.744 ( 1.063 0.023 0.317) 1.110 4.904 ( 0.154 -1.375 -0.485) 1.467 4.939 ( -0.052 -1.455 -0.525) 1.548 4.997 ( 0.173 -1.078 -0.503) 1.202 5.018 ( 10.535 0.776 2.317) 10.815 5.253 ( 1.855 -1.918 3.900) 4.726 5.307 ( -6.978 -0.431 5.258) 8.747 5.402 ( -4.009 2.841 -2.403) 5.470 5.596 ( 14.209 3.238 -5.965) 15.747 5.766 ( -5.034 -4.164 -4.625) 8.004 5.881 ( -3.265 4.975 -0.861) 6.013 5.993 ( -1.395 3.478 4.608) 5.940 6.247 ( 2.966 -1.852 4.559) 5.745 6.611 ( -6.894 -6.545 -5.336) 10.901 7.194 ( 9.895 -7.747 -7.035) 14.402 7.336 ( 8.206 -17.634 12.843) 23.308 7.595 ( -6.564 -9.027 4.953) 12.211 7.870 ( -7.716 -3.766 -4.171) 9.546 8.123 ( 1.131 -0.862 -1.803) 2.296 8.557 ( 3.162 8.438 -4.733) 10.179 8.684 ( -3.833 7.082 8.596) 11.779 8.991 ( 4.962 4.944 -6.583) 9.612 ======================= Grid point 109 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -2.924 13.926 2.023) 14.373 0.860 ( -2.360 13.767 2.391) 14.171 0.998 ( 0.279 10.132 -2.237) 10.379 1.046 ( -1.294 1.575 -7.109) 7.395 1.315 ( -1.676 13.964 2.334) 14.257 1.504 ( -7.002 12.063 0.504) 13.957 1.549 ( 1.681 -5.212 1.267) 5.621 1.616 ( -0.164 1.645 1.602) 2.302 1.681 ( 0.701 -6.144 0.349) 6.194 1.756 ( 1.870 -1.649 0.243) 2.505 1.797 ( -0.264 -0.833 0.069) 0.877 1.872 ( 2.087 -5.741 0.109) 6.110 1.891 ( 2.054 -5.500 -1.814) 6.145 2.015 ( -3.070 0.685 -0.639) 3.210 2.094 ( 1.287 1.782 0.688) 2.303 2.163 ( -1.001 2.553 -0.410) 2.772 2.197 ( 0.516 -4.202 -0.388) 4.251 2.211 ( 0.267 -4.823 0.255) 4.837 2.236 ( -0.765 1.526 2.245) 2.820 2.335 ( 1.261 -1.817 -0.317) 2.234 2.439 ( -1.968 -1.044 -0.757) 2.353 2.456 ( 2.965 -0.715 -1.760) 3.522 2.548 ( 0.710 -0.427 0.343) 0.896 2.643 ( 0.129 -1.638 -1.376) 2.143 2.773 ( 3.434 0.204 -0.607) 3.493 2.940 ( -3.070 -0.496 0.319) 3.126 3.008 ( 1.353 -0.284 2.089) 2.505 3.013 ( 1.559 0.052 0.497) 1.637 3.102 ( -1.771 0.657 1.741) 2.568 3.206 ( 1.567 -1.342 -2.083) 2.932 4.050 ( -1.120 -0.799 1.069) 1.743 4.111 ( -0.468 1.076 -0.318) 1.216 4.128 ( 0.248 0.873 -1.367) 1.641 4.136 ( 0.581 0.860 -0.597) 1.197 4.430 ( 0.549 -0.542 0.324) 0.837 4.462 ( -2.249 0.738 0.795) 2.497 4.620 ( 0.771 -0.093 1.587) 1.767 4.678 ( -0.211 -1.617 0.056) 1.632 4.776 ( 2.008 -0.730 0.251) 2.151 4.917 ( 0.177 -1.372 -0.746) 1.571 4.941 ( -0.505 -0.410 -0.203) 0.681 5.022 ( 1.752 -1.922 -2.128) 3.360 5.166 ( -0.431 1.146 -1.533) 1.962 5.184 ( 0.862 0.846 -0.135) 1.215 5.320 ( -0.940 3.489 0.650) 3.672 5.406 ( 9.034 -3.930 12.449) 15.876 5.647 ( -12.543 -2.883 -7.306) 14.799 5.718 ( 3.658 8.799 -1.648) 9.670 5.842 ( 3.921 0.131 -7.085) 8.099 6.022 ( 7.461 -3.180 9.732) 12.668 6.280 ( -4.799 -5.598 -2.578) 7.811 6.576 ( -2.864 -6.609 -5.200) 8.884 7.315 ( 3.645 2.416 -0.604) 4.414 7.469 ( -11.550 -2.669 8.082) 14.348 7.710 ( 5.936 -14.718 4.976) 16.632 7.833 ( -2.036 -7.622 -0.332) 7.896 8.209 ( 4.420 -8.049 -0.436) 9.193 8.447 ( -2.057 11.750 -3.048) 12.312 8.616 ( -1.751 3.071 5.860) 6.843 9.011 ( 6.127 4.385 -11.288) 13.572 ======================= Grid point 110 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 1.734 11.898 6.427) 13.634 0.709 ( -0.185 14.929 3.838) 15.416 0.888 ( -0.665 10.086 -3.852) 10.817 0.982 ( -0.780 3.460 -10.372) 10.962 1.162 ( 2.950 22.757 3.884) 23.274 1.268 ( -2.386 11.028 1.620) 11.399 1.599 ( -1.820 -2.610 2.507) 4.051 1.653 ( 1.910 -4.112 -0.006) 4.534 1.724 ( -0.278 -2.378 -0.009) 2.394 1.759 ( 0.855 -0.257 -0.361) 0.963 1.863 ( -0.993 -3.774 1.540) 4.196 1.938 ( 0.030 -3.529 -0.818) 3.622 1.949 ( -1.086 -3.690 -0.738) 3.916 1.961 ( 1.058 -2.345 -2.298) 3.450 2.077 ( -1.269 2.785 1.213) 3.292 2.126 ( 1.033 3.907 -1.112) 4.192 2.203 ( -1.323 0.845 0.838) 1.779 2.256 ( 1.675 -3.733 -1.287) 4.289 2.268 ( 0.138 -4.391 1.498) 4.642 2.347 ( 0.684 1.260 -1.149) 1.837 2.464 ( 0.457 -4.662 0.455) 4.707 2.497 ( -0.008 -1.346 -0.931) 1.637 2.559 ( -0.452 -2.425 0.755) 2.580 2.662 ( -1.307 -5.469 -3.595) 6.674 2.846 ( 1.554 0.304 0.985) 1.865 2.880 ( -1.081 0.697 -0.590) 1.415 3.030 ( 0.209 -0.410 2.633) 2.673 3.039 ( 0.319 0.486 0.395) 0.703 3.064 ( -0.636 1.654 2.323) 2.922 3.224 ( 0.195 -0.458 -2.765) 2.809 4.051 ( -0.468 -1.542 0.619) 1.727 4.085 ( -0.957 1.028 -0.455) 1.477 4.128 ( 0.702 0.573 -0.598) 1.086 4.145 ( 1.041 0.455 -0.796) 1.387 4.422 ( -1.531 1.045 1.150) 2.181 4.452 ( 1.106 -1.162 0.232) 1.621 4.639 ( 0.685 0.176 2.439) 2.539 4.690 ( 0.024 -0.666 0.233) 0.706 4.808 ( 0.888 -0.386 0.256) 1.001 4.928 ( -0.392 -0.338 -0.560) 0.763 4.942 ( 0.370 -1.887 -0.591) 2.012 4.991 ( -4.197 2.213 -6.066) 7.702 5.173 ( 3.253 -1.374 1.177) 3.722 5.225 ( 0.571 -2.561 2.124) 3.376 5.288 ( 2.292 2.969 1.167) 3.928 5.356 ( -15.412 1.083 -2.991) 15.737 5.658 ( -0.690 4.319 -1.087) 4.507 5.695 ( 8.735 5.517 4.175) 11.143 5.879 ( 6.168 -6.827 5.529) 10.734 6.188 ( -11.939 -8.104 -5.994) 15.625 6.301 ( 11.514 -6.685 5.014) 14.227 6.603 ( 0.072 -8.674 -6.863) 11.061 7.269 ( -9.119 2.575 3.668) 10.161 7.371 ( 5.703 3.394 2.727) 7.175 7.820 ( -1.892 -0.091 4.823) 5.181 7.949 ( 4.175 -7.293 5.194) 9.879 8.280 ( -3.214 10.749 -2.996) 11.612 8.354 ( 2.119 -7.705 -3.765) 8.834 8.602 ( -3.103 -4.770 4.371) 7.175 9.019 ( 2.652 3.347 -14.122) 14.754 ======================= Grid point 111 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 5.755 8.325 8.775) 13.395 0.612 ( 3.566 11.431 6.131) 13.453 0.778 ( 1.656 7.461 -5.609) 9.480 0.945 ( 7.309 7.253 -6.507) 12.180 1.068 ( 7.621 15.639 1.636) 17.474 1.218 ( 5.472 9.244 -0.587) 10.758 1.589 ( -2.504 -2.780 0.892) 3.846 1.709 ( -2.975 -2.109 0.514) 3.683 1.725 ( 2.927 -0.640 -0.063) 2.997 1.805 ( 2.595 -3.040 -0.378) 4.015 1.846 ( -1.668 -1.350 0.365) 2.177 1.951 ( -2.211 -3.326 0.739) 4.062 1.972 ( -3.295 -6.717 -0.624) 7.508 2.007 ( 2.402 1.417 -0.513) 2.836 2.029 ( -0.431 3.189 -0.313) 3.233 2.114 ( 1.295 1.431 -0.194) 1.940 2.196 ( 0.678 0.228 0.950) 1.189 2.278 ( -0.999 -1.442 -1.793) 2.508 2.319 ( 1.329 -1.344 1.406) 2.356 2.336 ( 0.345 2.242 -1.093) 2.518 2.487 ( -1.760 -3.347 -0.662) 3.839 2.523 ( -0.924 -6.685 -0.502) 6.768 2.590 ( -1.405 -5.034 2.035) 5.609 2.653 ( -3.322 -2.895 -3.930) 5.905 2.756 ( -5.886 2.240 -0.178) 6.301 2.917 ( 1.126 3.180 0.286) 3.386 3.005 ( -0.775 -0.076 0.349) 0.853 3.042 ( -0.339 -0.481 2.916) 2.975 3.091 ( 2.582 0.772 1.540) 3.104 3.206 ( -1.169 0.572 -2.769) 3.060 4.059 ( -0.971 0.488 -0.207) 1.106 4.067 ( 0.253 -1.498 0.272) 1.544 4.132 ( 0.526 0.511 -0.586) 0.939 4.151 ( 0.373 0.439 -0.038) 0.577 4.404 ( 0.021 0.859 0.736) 1.131 4.488 ( 1.755 -1.156 0.382) 2.136 4.648 ( 0.059 0.655 1.755) 1.874 4.689 ( -0.007 0.836 0.759) 1.129 4.812 ( -0.771 0.316 0.296) 0.884 4.869 ( -3.832 3.331 -6.326) 8.111 4.918 ( -0.686 0.237 -0.177) 0.747 4.983 ( 1.163 -1.524 -0.321) 1.944 5.100 ( -8.422 -0.148 -0.837) 8.465 5.204 ( 0.922 -1.090 -0.306) 1.460 5.255 ( 0.195 -0.913 4.127) 4.231 5.461 ( 11.415 -2.002 5.389) 12.781 5.544 ( -6.118 5.147 -3.553) 8.749 5.675 ( 0.538 6.470 0.429) 6.507 6.032 ( -12.445 -9.868 -6.837) 17.292 6.189 ( 8.294 -10.641 8.123) 15.748 6.412 ( -4.635 -7.734 3.493) 9.670 6.746 ( 5.727 -9.863 -5.095) 12.491 7.147 ( -2.087 5.087 0.308) 5.507 7.478 ( 6.847 6.310 5.771) 10.955 7.814 ( 2.718 -4.717 0.261) 5.450 8.079 ( 6.476 4.014 0.110) 7.620 8.159 ( -0.291 4.060 4.504) 6.071 8.353 ( -3.578 2.025 -8.150) 9.128 8.576 ( -9.367 -6.879 2.001) 11.792 8.938 ( -3.325 3.398 -8.719) 9.931 ======================= Grid point 115 (50/95) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 2.336 0.000 -3.090) 3.874 1.130 ( -0.328 -0.000 3.234) 3.251 1.302 ( -3.363 -0.000 0.073) 3.364 1.347 ( -1.573 -0.000 -0.028) 1.573 1.442 ( 2.096 0.000 -0.783) 2.237 1.456 ( -3.176 -0.000 1.460) 3.495 1.510 ( 2.535 0.000 -0.403) 2.566 1.530 ( 0.452 0.000 1.362) 1.435 1.549 ( 7.618 0.000 -1.894) 7.850 1.560 ( -1.895 -0.000 -0.297) 1.918 1.672 ( -0.521 -0.000 2.340) 2.397 1.702 ( -0.005 -0.000 -0.941) 0.941 1.953 ( -2.557 -0.000 -1.050) 2.764 2.013 ( 1.279 0.000 -1.032) 1.644 2.029 ( -0.693 -0.000 0.590) 0.910 2.048 ( -0.532 -0.000 -0.484) 0.720 2.171 ( 0.127 0.000 1.607) 1.612 2.217 ( 0.549 0.000 -0.100) 0.558 2.403 ( -5.593 -0.000 2.137) 5.988 2.444 ( -2.141 -0.000 -0.215) 2.151 2.487 ( -1.285 -0.000 -0.196) 1.300 2.506 ( 1.261 0.000 -0.176) 1.274 2.563 ( 5.006 0.000 0.824) 5.073 2.646 ( -0.766 -0.000 -4.500) 4.564 2.857 ( -0.943 -0.000 1.646) 1.897 2.861 ( 2.349 0.000 -1.101) 2.594 2.925 ( 2.112 0.000 -1.409) 2.539 3.008 ( 0.369 0.000 0.247) 0.444 3.079 ( -0.028 -0.000 1.677) 1.677 3.142 ( -1.306 -0.000 -0.855) 1.561 4.089 ( -1.937 -0.000 2.247) 2.967 4.090 ( 1.449 0.000 -0.172) 1.460 4.184 ( -0.243 -0.000 1.193) 1.217 4.198 ( 0.670 0.000 -3.984) 4.040 4.444 ( 0.306 0.000 -0.381) 0.488 4.529 ( -0.775 -0.000 0.334) 0.844 4.595 ( 0.023 0.000 -2.247) 2.247 4.690 ( -2.312 -0.000 -3.198) 3.946 4.742 ( -0.077 -0.000 -0.954) 0.957 4.844 ( 5.611 0.000 -1.763) 5.882 4.882 ( 0.103 0.000 1.560) 1.564 4.921 ( 0.433 0.000 2.032) 2.078 5.009 ( -2.275 -0.000 0.196) 2.283 5.136 ( 3.948 0.000 4.785) 6.203 5.367 ( 13.724 0.000 -5.464) 14.772 5.397 ( -6.707 -0.000 3.382) 7.512 5.737 ( -4.447 -0.000 -9.834) 10.793 5.750 ( -9.675 -0.000 2.346) 9.955 5.959 ( 10.797 0.000 1.686) 10.928 5.959 ( -5.583 -0.000 8.578) 10.235 6.425 ( 4.371 0.000 8.101) 9.205 6.632 ( -17.230 -0.000 -4.266) 17.750 6.757 ( 6.860 0.000 -5.795) 8.980 6.834 ( 4.289 0.000 3.852) 5.765 7.612 ( -6.252 -0.000 5.792) 8.523 7.920 ( -3.993 -0.000 -1.784) 4.373 8.134 ( -0.037 -0.000 -5.661) 5.661 8.600 ( 6.896 0.000 -6.035) 9.164 8.859 ( -4.451 -0.000 8.455) 9.555 9.001 ( 6.371 0.000 -2.544) 6.860 ======================= Grid point 117 (51/95) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.717 5.187 -1.684) 5.500 1.119 ( -1.369 0.772 1.423) 2.121 1.202 ( -2.209 7.100 0.429) 7.448 1.300 ( -2.003 5.109 -0.450) 5.506 1.423 ( -1.513 -1.175 0.451) 1.968 1.477 ( 2.438 -1.265 -0.930) 2.899 1.496 ( 0.724 1.998 1.946) 2.882 1.559 ( 2.411 1.121 -1.155) 2.899 1.591 ( 1.448 -4.612 0.760) 4.893 1.674 ( 4.274 -1.696 -0.036) 4.598 1.727 ( 3.683 -3.686 -0.426) 5.228 1.759 ( 3.349 -4.688 -0.691) 5.803 1.900 ( -2.566 1.732 0.141) 3.099 2.014 ( 1.020 1.392 -0.227) 1.741 2.052 ( 0.292 -2.027 -0.349) 2.078 2.068 ( 1.866 -2.502 -0.222) 3.129 2.179 ( 0.140 -0.403 2.086) 2.129 2.215 ( -0.221 1.532 0.310) 1.578 2.315 ( -5.183 0.866 2.768) 5.939 2.369 ( -3.515 4.693 0.288) 5.870 2.458 ( -1.593 -0.246 -0.570) 1.710 2.518 ( -0.831 -0.350 -1.212) 1.511 2.572 ( -4.034 1.369 -4.030) 5.864 2.630 ( 3.641 0.879 0.468) 3.775 2.812 ( -1.177 3.374 -1.270) 3.792 2.898 ( -0.421 -3.909 0.465) 3.959 2.975 ( 2.227 -0.106 -0.031) 2.229 3.001 ( -0.456 0.401 -0.254) 0.659 3.094 ( 0.517 -0.585 2.849) 2.954 3.142 ( 0.996 -1.229 -1.325) 2.064 4.063 ( -1.859 0.029 2.312) 2.967 4.111 ( 1.156 -0.028 -0.399) 1.224 4.169 ( -1.445 0.469 0.485) 1.595 4.182 ( -0.314 0.861 -3.964) 4.069 4.442 ( 0.397 1.322 0.235) 1.400 4.511 ( -1.079 0.877 0.288) 1.420 4.596 ( 0.310 -0.807 -1.103) 1.401 4.651 ( -1.448 -0.705 -2.535) 3.004 4.744 ( 0.724 -0.014 -0.349) 0.804 4.886 ( 0.329 -0.478 -0.112) 0.591 4.895 ( 0.346 -1.780 -0.364) 1.849 4.984 ( -1.229 -0.176 1.265) 1.772 5.041 ( 12.246 0.788 3.009) 12.635 5.217 ( 2.626 -1.266 5.699) 6.401 5.295 ( -7.209 -0.553 2.471) 7.640 5.485 ( -2.672 5.296 -2.952) 6.626 5.599 ( 0.929 -4.114 -0.973) 4.328 5.695 ( 1.454 -0.987 -7.933) 8.126 5.958 ( -0.361 2.318 4.310) 4.907 6.092 ( 4.501 2.919 1.207) 5.498 6.292 ( -8.111 6.858 -4.164) 11.409 6.540 ( -0.077 -1.916 -0.865) 2.103 6.960 ( 12.473 -11.161 -2.525) 16.927 7.026 ( 8.409 -11.631 7.931) 16.398 7.512 ( -8.494 -1.281 5.392) 10.142 7.814 ( -8.874 -1.638 -3.002) 9.510 8.127 ( 0.697 0.494 -0.786) 1.161 8.674 ( 5.702 3.287 -6.585) 9.310 8.776 ( -7.023 2.459 10.604) 12.954 9.064 ( 4.425 2.239 -6.449) 8.136 ======================= Grid point 118 (52/95) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -1.843 10.782 -0.418) 10.946 1.071 ( -2.218 2.907 -1.914) 4.127 1.099 ( -0.818 9.927 1.105) 10.021 1.203 ( -0.963 8.975 -1.592) 9.166 1.436 ( 0.673 -3.313 0.244) 3.389 1.520 ( 2.080 0.822 1.858) 2.908 1.553 ( 2.104 -2.762 -0.157) 3.475 1.571 ( 1.775 0.120 -0.530) 1.857 1.661 ( 1.863 -3.664 0.236) 4.118 1.751 ( 0.738 -4.477 2.401) 5.134 1.781 ( -2.446 4.969 0.808) 5.597 1.818 ( 2.851 -0.634 -2.323) 3.731 1.853 ( 1.444 1.711 -0.527) 2.300 2.013 ( -0.647 0.189 -0.083) 0.680 2.082 ( 0.980 -2.520 -0.150) 2.708 2.124 ( -0.281 -2.886 0.224) 2.908 2.175 ( -0.980 2.205 1.234) 2.711 2.199 ( 0.805 -0.119 0.102) 0.820 2.252 ( -1.996 0.092 2.610) 3.287 2.304 ( -0.215 0.136 0.198) 0.323 2.444 ( -1.650 -0.659 0.026) 1.777 2.449 ( -2.517 -0.222 -3.660) 4.447 2.540 ( 0.298 0.764 -0.382) 0.905 2.664 ( 1.072 2.446 -0.351) 2.694 2.771 ( 0.648 -0.013 -1.342) 1.490 2.911 ( -2.381 -2.498 0.365) 3.469 2.997 ( 0.194 -0.731 0.892) 1.170 3.003 ( 0.883 -0.834 -0.394) 1.277 3.107 ( -0.622 0.020 3.023) 3.087 3.179 ( 1.910 -1.336 -1.562) 2.806 4.042 ( -1.451 -0.134 2.024) 2.494 4.126 ( 0.615 0.242 -0.280) 0.717 4.140 ( -1.039 0.568 -0.570) 1.314 4.159 ( 0.202 1.150 -2.960) 3.182 4.437 ( 0.431 1.341 0.750) 1.595 4.481 ( -1.377 1.133 0.127) 1.788 4.613 ( 0.892 -0.667 0.772) 1.355 4.645 ( -0.127 -1.625 -0.822) 1.825 4.765 ( 1.315 -0.492 0.560) 1.511 4.894 ( -0.084 -0.877 0.357) 0.951 4.918 ( 0.213 -1.833 -0.999) 2.098 4.982 ( 0.041 -1.523 0.826) 1.733 5.187 ( -5.643 0.427 -1.406) 5.831 5.201 ( 1.780 1.569 2.814) 3.681 5.340 ( 12.002 -2.708 8.266) 14.823 5.395 ( 0.404 3.942 -0.802) 4.044 5.569 ( -10.183 -4.527 -3.898) 11.806 5.785 ( 4.808 -4.658 -10.249) 12.242 5.898 ( 0.060 7.564 -0.551) 7.584 6.068 ( 3.450 7.091 7.445) 10.845 6.207 ( -2.113 -1.950 -6.869) 7.447 6.534 ( 0.314 1.919 -2.729) 3.350 7.291 ( 7.447 -9.407 4.180) 12.705 7.313 ( 7.749 -14.746 4.757) 17.325 7.407 ( -6.116 -6.474 4.721) 10.080 7.678 ( -8.697 -6.594 -3.320) 11.408 8.147 ( 1.863 0.567 3.416) 3.932 8.638 ( -3.707 6.388 3.604) 8.218 8.691 ( -1.536 4.329 0.531) 4.624 9.084 ( 4.460 2.942 -10.185) 11.501 ======================= Grid point 119 (53/95) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.634 12.794 1.801) 12.936 0.975 ( -0.207 11.803 1.252) 11.871 1.011 ( -1.619 3.586 -4.873) 6.263 1.098 ( 0.396 9.852 -2.751) 10.237 1.480 ( 2.296 3.440 1.233) 4.316 1.505 ( -4.634 4.686 -0.036) 6.590 1.560 ( 4.913 4.656 2.474) 7.207 1.601 ( -1.850 2.717 -0.211) 3.294 1.678 ( 0.637 -0.039 2.707) 2.781 1.735 ( -0.260 -5.329 -0.090) 5.336 1.759 ( -2.716 -4.171 0.265) 4.985 1.838 ( 0.978 -1.588 -0.734) 2.005 1.933 ( 5.747 -0.367 -1.493) 5.949 1.958 ( -4.543 1.026 -1.001) 4.764 2.114 ( -0.938 -0.590 0.634) 1.277 2.137 ( 0.460 -4.651 -0.474) 4.698 2.164 ( -0.910 -1.655 1.401) 2.352 2.209 ( 1.645 1.547 -0.675) 2.357 2.236 ( -1.001 0.244 1.862) 2.128 2.357 ( 3.242 -3.151 -0.509) 4.550 2.394 ( -2.273 -0.034 0.370) 2.303 2.481 ( 1.202 -3.294 -2.432) 4.267 2.539 ( 0.484 1.202 0.992) 1.632 2.615 ( -2.153 1.542 -2.598) 3.710 2.834 ( 3.159 -1.393 1.255) 3.674 2.874 ( -2.421 -1.140 -0.799) 2.793 3.011 ( -0.135 -1.360 1.265) 1.862 3.030 ( 0.714 -1.375 0.071) 1.551 3.090 ( -1.546 0.991 2.737) 3.296 3.208 ( 0.606 -1.070 -1.809) 2.187 4.031 ( -0.814 -0.508 1.485) 1.768 4.109 ( -0.575 1.318 -0.825) 1.658 4.138 ( 0.538 0.318 -0.726) 0.958 4.157 ( 1.345 0.750 -1.637) 2.248 4.437 ( 0.054 0.275 0.660) 0.717 4.450 ( -0.405 1.525 0.470) 1.646 4.637 ( 0.742 -0.439 1.639) 1.852 4.667 ( 0.800 -1.500 0.512) 1.775 4.794 ( 0.893 -0.847 1.589) 2.010 4.901 ( -0.357 -1.398 0.094) 1.446 4.923 ( -0.599 -0.806 -0.580) 1.160 5.006 ( -0.818 -1.051 -3.065) 3.342 5.130 ( 0.446 -1.895 0.631) 2.046 5.193 ( -1.641 -0.890 3.203) 3.707 5.324 ( -8.740 -0.378 -3.266) 9.338 5.390 ( -4.098 3.580 0.125) 5.443 5.657 ( 14.954 -2.809 3.755) 15.672 5.801 ( -1.287 -0.602 -1.244) 1.888 5.840 ( -0.536 4.073 -2.826) 4.986 6.081 ( -6.891 -0.270 -1.545) 7.067 6.245 ( 11.938 0.482 -0.314) 11.951 6.503 ( -1.946 -1.712 -6.035) 6.568 7.264 ( -9.285 -3.554 5.171) 11.206 7.396 ( 2.361 -0.185 2.897) 3.741 7.673 ( 1.121 -14.878 2.903) 15.200 7.718 ( 3.583 -15.815 2.509) 16.408 8.189 ( 0.826 -1.695 3.478) 3.956 8.529 ( -0.943 9.631 -1.449) 9.785 8.597 ( -4.411 3.357 3.083) 6.342 9.091 ( 3.308 3.461 -11.542) 12.495 ======================= Grid point 120 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 4.409 10.988 4.859) 12.799 0.863 ( 0.943 13.365 2.212) 13.580 0.931 ( -0.505 6.229 -6.780) 9.221 1.032 ( 2.912 6.589 -4.676) 8.588 1.339 ( -0.244 12.090 1.887) 12.239 1.484 ( 4.742 9.097 0.562) 10.274 1.552 ( 0.028 2.710 1.279) 2.997 1.634 ( 0.941 -2.204 1.741) 2.962 1.705 ( 1.278 -3.642 0.712) 3.925 1.754 ( -4.824 -5.424 0.218) 7.262 1.792 ( 2.099 -2.996 -0.767) 3.738 1.847 ( -2.130 -3.035 -0.419) 3.732 1.888 ( -3.203 -2.075 -0.924) 3.927 2.018 ( 3.484 -0.493 -0.845) 3.619 2.087 ( -0.944 2.322 0.519) 2.560 2.156 ( -0.146 0.862 0.233) 0.905 2.186 ( 0.274 -3.469 -0.458) 3.510 2.230 ( 0.165 -0.269 0.126) 0.340 2.259 ( 1.818 -3.525 2.281) 4.576 2.363 ( -1.615 -0.538 0.077) 1.704 2.427 ( 1.394 -2.619 -1.983) 3.568 2.476 ( -1.636 1.038 -1.938) 2.740 2.531 ( -0.981 -0.069 1.528) 1.818 2.599 ( 0.051 -1.914 -1.668) 2.539 2.786 ( -4.565 0.971 -0.685) 4.717 2.939 ( 3.697 -0.692 0.343) 3.777 3.013 ( -3.009 0.483 0.599) 3.106 3.024 ( -1.114 -1.397 2.295) 2.908 3.093 ( 1.697 -0.647 1.218) 2.187 3.207 ( -0.846 -0.373 -1.937) 2.146 4.034 ( -0.176 -1.049 0.874) 1.377 4.086 ( -0.170 1.597 -0.667) 1.739 4.141 ( 0.554 0.401 -0.900) 1.130 4.166 ( 1.008 1.142 -0.510) 1.606 4.425 ( -0.066 1.256 0.622) 1.403 4.463 ( 1.412 -1.012 0.397) 1.783 4.653 ( 0.155 -0.267 1.375) 1.409 4.690 ( 0.377 -0.580 0.664) 0.959 4.810 ( -0.539 -0.305 2.241) 2.325 4.902 ( -2.015 -0.706 -3.919) 4.463 4.917 ( -0.164 -0.300 -0.802) 0.872 4.964 ( -0.260 0.832 -0.984) 1.315 5.115 ( -8.231 1.066 -1.794) 8.491 5.174 ( -0.673 -2.294 0.580) 2.460 5.225 ( -1.292 -2.336 6.001) 6.568 5.432 ( 8.177 -0.569 3.421) 8.882 5.662 ( -5.332 6.829 -4.257) 9.653 5.782 ( -1.817 0.124 -4.082) 4.470 5.884 ( -5.771 -0.398 -1.002) 5.871 6.031 ( 8.147 -5.712 5.111) 11.185 6.339 ( -3.476 -0.906 -0.678) 3.655 6.569 ( 7.451 -7.899 -5.732) 12.279 7.186 ( -4.823 -1.967 1.439) 5.404 7.516 ( 8.879 -2.999 4.848) 10.551 7.709 ( -6.321 -7.481 6.299) 11.645 7.952 ( 1.832 -14.633 0.346) 14.751 8.202 ( -1.239 0.005 0.349) 1.287 8.404 ( -1.719 7.115 -6.954) 10.096 8.544 ( -1.473 2.836 6.856) 7.564 9.039 ( -0.523 5.873 -9.798) 11.435 ======================= Grid point 121 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 4.208 9.735 0.113) 10.606 0.791 ( 6.392 7.621 6.531) 11.899 0.895 ( 6.119 5.754 -3.097) 8.952 1.020 ( 2.037 2.319 -7.351) 7.973 1.321 ( 8.592 8.751 2.196) 12.459 1.481 ( 2.496 4.449 -0.374) 5.115 1.537 ( 2.015 4.361 0.946) 4.896 1.632 ( -2.047 0.246 0.340) 2.089 1.738 ( -4.057 -6.959 0.162) 8.057 1.785 ( 2.941 -0.788 0.721) 3.129 1.840 ( 2.428 -0.905 -2.221) 3.413 1.856 ( -2.004 -3.572 1.246) 4.281 1.869 ( -1.986 -7.160 0.623) 7.456 2.022 ( -2.943 0.200 0.096) 2.951 2.053 ( 0.253 3.506 -0.271) 3.526 2.164 ( 2.018 2.193 -0.064) 2.981 2.213 ( 0.848 -1.477 0.388) 1.747 2.232 ( -1.573 -1.907 0.337) 2.495 2.295 ( -1.841 -1.440 0.525) 2.396 2.379 ( 2.783 -1.059 0.561) 3.030 2.424 ( -2.913 -4.251 -1.988) 5.524 2.452 ( -1.966 -0.277 -0.258) 2.002 2.534 ( 1.286 -0.613 -0.815) 1.641 2.599 ( -1.796 -0.571 -0.026) 1.885 2.706 ( -1.936 2.314 -0.992) 3.176 2.912 ( -4.701 2.129 1.206) 5.299 2.995 ( -0.835 -0.550 0.100) 1.005 3.029 ( -0.337 -1.605 1.076) 1.962 3.140 ( 2.452 -0.360 1.016) 2.678 3.180 ( -1.497 0.257 -1.571) 2.185 4.046 ( -0.054 -0.769 -0.090) 0.776 4.074 ( 0.418 0.759 0.155) 0.880 4.140 ( 0.020 0.461 -0.771) 0.899 4.164 ( 0.355 1.304 0.653) 1.501 4.420 ( 0.545 0.931 -0.154) 1.090 4.505 ( 1.634 -1.775 0.162) 2.418 4.648 ( -0.980 0.186 -0.675) 1.205 4.699 ( -0.047 -0.190 2.347) 2.355 4.797 ( -1.073 0.391 -0.598) 1.289 4.824 ( -3.191 2.584 -0.906) 4.205 4.914 ( 0.031 0.531 -0.606) 0.807 4.983 ( -0.091 -0.129 0.355) 0.389 5.043 ( 0.864 0.318 0.696) 1.154 5.184 ( -0.462 -2.884 -3.443) 4.515 5.255 ( 0.114 -2.792 6.309) 6.900 5.448 ( -8.050 5.011 -4.737) 10.600 5.546 ( -3.340 -2.514 2.216) 4.731 5.734 ( 0.552 3.542 -1.683) 3.960 5.861 ( 4.446 -3.519 -2.568) 6.224 6.208 ( -2.336 -2.346 4.692) 5.743 6.313 ( 3.250 -7.457 4.047) 9.086 6.740 ( 5.148 -7.945 -4.435) 10.455 7.110 ( -6.779 -0.247 -2.304) 7.164 7.574 ( -3.367 4.195 8.403) 9.977 7.865 ( 10.134 -13.869 1.863) 17.277 8.002 ( -8.473 -8.186 -4.015) 12.447 8.210 ( 4.377 1.580 0.481) 4.678 8.299 ( -6.543 -1.816 -4.942) 8.398 8.485 ( 0.009 11.248 3.822) 11.880 8.934 ( -1.027 6.351 -4.633) 7.928 ======================= Grid point 126 (56/95) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.861 -0.000 -1.884) 2.072 1.099 ( -1.888 -0.000 0.306) 1.912 1.222 ( -0.442 -0.000 0.463) 0.640 1.298 ( -0.873 -0.000 -0.847) 1.216 1.395 ( -1.212 -0.000 1.779) 2.152 1.499 ( -0.965 -0.000 -0.827) 1.271 1.515 ( -0.158 -0.000 0.254) 0.299 1.523 ( 2.771 0.000 -1.043) 2.961 1.670 ( 3.002 0.000 3.080) 4.301 1.745 ( 2.322 0.000 2.323) 3.284 1.789 ( 6.375 0.000 -1.878) 6.646 1.800 ( 4.368 0.000 -3.029) 5.315 1.876 ( -1.197 -0.000 0.836) 1.461 2.044 ( 0.803 0.000 1.268) 1.501 2.045 ( 0.449 0.000 -1.017) 1.112 2.085 ( 1.803 0.000 -0.295) 1.827 2.180 ( -0.655 -0.000 2.281) 2.373 2.225 ( 0.372 0.000 -0.300) 0.478 2.256 ( -3.284 -0.000 2.790) 4.309 2.326 ( -4.745 -0.000 -0.067) 4.746 2.399 ( -2.824 -0.000 -0.439) 2.858 2.461 ( -3.730 -0.000 -2.722) 4.618 2.558 ( 1.470 0.000 -0.965) 1.758 2.688 ( 2.679 0.000 0.288) 2.694 2.783 ( -2.736 -0.000 -2.100) 3.449 2.870 ( -1.159 -0.000 0.355) 1.213 2.987 ( -0.020 -0.000 0.215) 0.216 2.995 ( 0.125 0.000 -0.730) 0.741 3.107 ( -0.111 -0.000 3.498) 3.500 3.164 ( 2.059 0.000 -1.101) 2.335 4.042 ( -1.550 -0.000 2.374) 2.835 4.126 ( 0.846 0.000 -0.488) 0.976 4.147 ( -1.426 -0.000 0.333) 1.464 4.170 ( 0.069 0.000 -4.248) 4.248 4.458 ( 0.530 0.000 0.406) 0.667 4.494 ( -1.196 -0.000 0.348) 1.246 4.602 ( 1.086 0.000 0.197) 1.104 4.627 ( -0.132 -0.000 -1.728) 1.733 4.758 ( 0.932 0.000 0.763) 1.204 4.885 ( -0.359 -0.000 1.923) 1.956 4.896 ( 0.975 0.000 -1.470) 1.764 4.968 ( -1.099 -0.000 1.474) 1.838 5.188 ( -5.583 -0.000 -0.211) 5.587 5.228 ( -2.297 -0.000 5.932) 6.361 5.307 ( 17.275 0.000 3.781) 17.684 5.452 ( -6.127 -0.000 -10.738) 12.363 5.506 ( -1.271 -0.000 9.135) 9.223 5.729 ( -0.846 -0.000 -13.309) 13.336 5.964 ( -1.542 -0.000 2.108) 2.612 6.171 ( 2.117 0.000 4.236) 4.736 6.203 ( 2.579 0.000 -10.551) 10.862 6.581 ( 0.896 0.000 -0.551) 1.052 7.115 ( 4.551 0.000 11.389) 12.265 7.133 ( 14.800 0.000 -0.650) 14.814 7.380 ( -6.436 -0.000 2.714) 6.985 7.621 ( -11.740 -0.000 -3.119) 12.147 8.160 ( 2.134 0.000 4.837) 5.286 8.689 ( -8.210 -0.000 12.066) 14.594 8.745 ( 2.714 0.000 -7.828) 8.285 9.114 ( 3.624 0.000 -9.748) 10.400 ======================= Grid point 128 (57/95) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.026 6.815 -0.694) 6.850 1.055 ( -1.407 1.932 -1.761) 2.969 1.184 ( 0.113 7.516 1.021) 7.585 1.256 ( -0.209 5.401 -1.744) 5.679 1.413 ( 0.565 -3.554 2.057) 4.145 1.487 ( -1.148 -1.918 -1.070) 2.478 1.544 ( -0.165 -5.234 -0.124) 5.238 1.579 ( 1.864 -3.509 -1.592) 4.280 1.680 ( -3.797 -1.539 3.794) 5.584 1.757 ( 0.339 3.989 2.091) 4.517 1.806 ( 0.134 4.747 -0.284) 4.757 1.865 ( 2.760 1.569 -1.924) 3.712 1.908 ( 3.744 -1.798 0.574) 4.193 1.999 ( -2.786 2.753 -1.212) 4.100 2.072 ( -0.580 -2.089 0.469) 2.219 2.095 ( -0.301 0.973 -0.279) 1.056 2.170 ( -0.956 0.344 2.050) 2.288 2.223 ( -0.264 -0.185 1.251) 1.292 2.240 ( 1.282 0.255 -0.419) 1.373 2.285 ( -0.703 -2.642 0.868) 2.869 2.390 ( -0.109 -2.298 -0.442) 2.343 2.428 ( 1.557 0.012 -2.373) 2.838 2.583 ( 2.415 2.030 0.930) 3.289 2.666 ( -2.806 2.461 -2.438) 4.458 2.801 ( 3.836 -1.544 0.998) 4.254 2.843 ( -2.904 -1.693 -1.197) 3.568 2.987 ( -0.437 -0.891 0.226) 1.018 3.005 ( 0.530 -0.824 -0.468) 1.085 3.102 ( -1.490 0.293 3.078) 3.432 3.189 ( 0.733 -0.674 -0.738) 1.239 4.028 ( -0.908 -0.027 2.026) 2.221 4.129 ( -0.357 0.640 -0.160) 0.750 4.138 ( 0.505 -0.163 -0.239) 0.582 4.167 ( 1.303 0.245 -3.596) 3.833 4.460 ( 0.330 1.555 0.609) 1.702 4.478 ( -0.307 0.972 0.288) 1.059 4.625 ( 0.994 -0.434 -0.059) 1.086 4.638 ( 1.035 -1.377 -0.433) 1.776 4.781 ( 0.919 -0.446 2.435) 2.641 4.890 ( -0.035 0.204 2.329) 2.338 4.908 ( 0.243 -0.738 -0.983) 1.253 4.964 ( -0.616 -2.157 0.699) 2.350 5.117 ( -2.604 -0.040 -1.318) 2.919 5.192 ( -2.939 0.650 5.458) 6.233 5.292 ( -10.092 -1.906 -6.959) 12.406 5.479 ( -1.222 5.075 2.614) 5.838 5.597 ( 10.477 -3.686 1.479) 11.205 5.711 ( 4.383 -4.052 -8.515) 10.399 5.930 ( -1.521 2.504 0.963) 3.084 6.143 ( -2.981 3.312 -1.619) 4.741 6.305 ( 11.353 4.328 -2.591) 12.423 6.530 ( -3.919 3.088 -4.762) 6.897 7.121 ( -11.952 -8.494 11.148) 18.419 7.358 ( -1.628 -6.263 3.490) 7.353 7.425 ( 9.280 -6.585 -0.168) 11.380 7.489 ( 1.138 -3.858 -2.972) 5.001 8.209 ( 1.634 1.454 8.221) 8.507 8.607 ( -4.160 1.245 11.560) 12.349 8.704 ( -2.158 4.095 -9.556) 10.618 9.137 ( 3.501 1.260 -10.366) 11.014 ======================= Grid point 129 (58/95) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.507 8.186 0.535) 8.340 1.017 ( 1.258 4.614 -2.858) 5.571 1.098 ( 0.402 10.936 1.200) 11.009 1.201 ( 2.021 8.248 -1.625) 8.646 1.450 ( -2.008 -1.444 -0.011) 2.473 1.482 ( -1.147 -1.587 1.444) 2.433 1.579 ( -0.621 -2.284 -0.120) 2.370 1.626 ( -1.482 -3.136 2.202) 4.108 1.634 ( -3.477 -4.363 -1.545) 5.789 1.683 ( -2.631 -0.890 0.118) 2.780 1.787 ( 2.621 5.325 1.022) 6.022 1.861 ( -4.175 -0.928 -1.197) 4.441 1.895 ( 0.144 4.103 0.180) 4.110 2.006 ( 3.020 -0.427 -0.375) 3.073 2.077 ( -0.658 -2.594 -0.296) 2.692 2.106 ( 0.424 -2.313 0.588) 2.424 2.166 ( -0.156 0.294 0.826) 0.890 2.226 ( 0.522 -0.344 2.062) 2.155 2.250 ( 0.665 0.766 -0.315) 1.062 2.318 ( 0.324 -1.525 2.187) 2.686 2.422 ( 3.242 0.175 -2.481) 4.087 2.481 ( 2.698 -0.765 -1.833) 3.351 2.576 ( -1.588 3.623 -1.112) 4.109 2.606 ( 1.090 2.496 0.316) 2.742 2.794 ( -2.671 -0.180 -1.759) 3.203 2.902 ( 4.053 -2.896 0.916) 5.065 2.991 ( -0.793 -1.713 0.225) 1.901 3.008 ( -2.041 -0.913 0.408) 2.273 3.082 ( -0.772 -0.154 1.897) 2.054 3.194 ( -0.675 -0.802 -0.663) 1.241 4.025 ( -0.115 -0.079 1.493) 1.500 4.117 ( 0.109 1.399 -0.708) 1.572 4.144 ( 0.248 -0.164 -0.631) 0.697 4.186 ( 2.050 0.641 -1.830) 2.822 4.446 ( -0.014 1.622 0.966) 1.887 4.471 ( 0.812 1.346 -0.185) 1.582 4.641 ( 0.270 -0.753 -0.140) 0.812 4.668 ( 0.657 -1.748 -1.285) 2.267 4.805 ( 0.378 -0.142 3.296) 3.320 4.885 ( -1.039 -0.043 0.460) 1.137 4.909 ( -0.083 -0.475 -1.072) 1.176 4.973 ( -1.089 -1.157 -1.166) 1.971 5.110 ( -1.264 -2.588 -0.074) 2.881 5.136 ( -4.522 0.158 0.242) 4.532 5.183 ( -2.637 -1.660 6.203) 6.942 5.451 ( 3.201 2.473 0.509) 4.077 5.656 ( -3.697 -6.590 -6.202) 9.776 5.815 ( 0.292 6.521 -4.745) 8.070 5.948 ( 8.938 -2.282 3.102) 9.732 6.017 ( -4.706 7.675 -0.627) 9.025 6.373 ( -4.954 4.132 -2.212) 6.820 6.471 ( 7.771 -1.624 -4.347) 9.051 7.043 ( -11.769 -12.238 5.440) 17.828 7.362 ( -4.159 -12.775 3.632) 13.917 7.567 ( 2.092 -4.756 6.128) 8.035 7.695 ( 8.232 -9.084 -4.257) 12.977 8.225 ( 0.003 2.067 6.893) 7.196 8.558 ( -4.713 6.948 -11.025) 13.857 8.609 ( 2.342 2.913 10.109) 10.778 9.130 ( 1.269 3.387 -8.459) 9.200 ======================= Grid point 130 (59/95) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 3.525 6.219 1.002) 7.218 0.976 ( 2.148 9.427 -1.577) 9.797 1.030 ( 3.880 8.920 0.123) 9.728 1.136 ( 1.155 9.911 -2.134) 10.204 1.410 ( -0.112 0.720 0.709) 1.017 1.474 ( -1.498 -0.697 0.631) 1.768 1.564 ( -1.709 0.376 -1.156) 2.097 1.604 ( -3.754 -5.547 1.033) 6.777 1.697 ( 1.434 -7.051 -0.807) 7.240 1.723 ( 1.001 -6.994 1.232) 7.172 1.774 ( -0.879 2.164 0.248) 2.349 1.790 ( -1.533 0.400 -0.535) 1.672 1.892 ( 2.337 3.259 0.228) 4.017 2.015 ( -1.950 -0.192 -0.120) 1.963 2.092 ( -0.032 -1.262 -0.986) 1.602 2.147 ( -0.036 -3.828 1.079) 3.977 2.165 ( 0.576 -0.044 0.140) 0.594 2.241 ( -1.084 -1.381 1.297) 2.182 2.258 ( 1.865 2.421 0.732) 3.142 2.355 ( 2.994 0.348 2.746) 4.078 2.429 ( -1.243 2.875 -3.497) 4.695 2.467 ( -0.966 1.113 -0.797) 1.675 2.559 ( 2.079 0.915 -2.019) 3.039 2.603 ( 0.988 2.677 0.875) 2.985 2.749 ( -0.912 2.031 -1.666) 2.781 2.938 ( -5.419 0.646 1.445) 5.645 2.979 ( 0.864 -1.588 0.306) 1.834 2.993 ( -1.069 -1.945 -0.130) 2.223 3.108 ( 1.539 -2.261 1.197) 2.986 3.181 ( -1.202 -0.409 -0.897) 1.555 4.033 ( 0.385 -0.221 0.938) 1.038 4.101 ( 0.001 1.622 -0.446) 1.683 4.145 ( -0.043 -0.041 -0.917) 0.919 4.198 ( 1.183 1.973 -0.238) 2.312 4.440 ( 0.241 1.025 0.666) 1.247 4.479 ( 1.230 -0.130 -0.856) 1.504 4.643 ( -0.701 -0.590 -1.048) 1.392 4.680 ( -0.534 -1.703 -0.727) 1.927 4.804 ( -1.068 0.516 -0.640) 1.348 4.855 ( -1.930 0.504 1.370) 2.420 4.917 ( 0.739 -0.372 -0.908) 1.228 4.975 ( 0.121 -0.456 1.983) 2.039 5.073 ( 0.371 2.057 2.510) 3.266 5.124 ( -1.084 -3.124 -2.738) 4.293 5.203 ( -0.561 -2.580 6.557) 7.068 5.485 ( -2.140 -0.673 -1.756) 2.849 5.567 ( -7.342 4.102 -5.696) 10.158 5.800 ( 8.147 0.927 -0.866) 8.245 5.873 ( -2.344 7.103 0.034) 7.480 6.131 ( 5.924 -4.560 5.576) 9.326 6.252 ( -4.435 0.072 -0.492) 4.462 6.612 ( 6.095 -4.677 -4.348) 8.827 6.984 ( -11.501 -12.635 0.351) 17.089 7.499 ( -2.159 -21.705 3.711) 22.126 7.619 ( -1.008 0.919 8.603) 8.710 7.854 ( 4.805 -6.694 -5.723) 10.033 8.224 ( -0.212 1.282 2.783) 3.071 8.379 ( -4.188 6.852 -10.058) 12.870 8.653 ( 4.115 6.478 7.735) 10.897 9.062 ( -1.233 6.119 -5.100) 8.061 ======================= Grid point 131 (60/95) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 3.262 7.155 -3.098) 8.452 0.975 ( 5.321 5.064 3.224) 8.022 1.049 ( 5.781 5.489 -0.419) 7.983 1.062 ( 0.829 5.940 -2.515) 6.503 1.418 ( -1.258 -1.443 0.258) 1.932 1.474 ( -0.803 -2.100 -0.394) 2.283 1.545 ( 2.484 1.192 -0.698) 2.842 1.594 ( -4.760 -5.236 0.584) 7.100 1.734 ( -0.865 1.659 0.153) 1.877 1.765 ( -1.087 -6.579 -0.241) 6.673 1.798 ( 2.313 -1.050 -0.814) 2.668 1.847 ( 4.366 -4.466 2.478) 6.719 1.903 ( 2.508 2.760 -1.192) 3.915 1.964 ( -3.201 -0.085 0.718) 3.281 2.082 ( -0.186 2.242 -0.531) 2.312 2.167 ( -1.107 -1.187 0.551) 1.714 2.190 ( 0.832 -1.713 0.039) 1.905 2.240 ( -0.541 -1.769 -0.177) 1.859 2.260 ( 0.565 0.873 1.411) 1.753 2.333 ( -3.455 1.751 -1.907) 4.317 2.392 ( -2.898 2.158 0.728) 3.686 2.472 ( 4.021 0.021 1.188) 4.192 2.562 ( -1.256 -0.439 -0.039) 1.331 2.615 ( 5.158 3.745 -2.604) 6.886 2.722 ( 0.626 2.232 -0.988) 2.520 2.827 ( -7.221 0.460 1.268) 7.346 2.970 ( -1.572 0.008 -0.015) 1.572 2.999 ( -1.441 -1.893 0.139) 2.384 3.153 ( -0.298 -1.370 -0.244) 1.423 3.172 ( 1.169 -0.427 0.239) 1.267 4.044 ( 0.327 -0.255 0.197) 0.459 4.088 ( 0.154 0.893 0.278) 0.948 4.136 ( -0.533 0.281 -0.747) 0.960 4.191 ( 0.384 1.988 1.130) 2.319 4.435 ( 0.408 0.913 -0.541) 1.137 4.503 ( 0.577 -1.684 -1.963) 2.650 4.625 ( -1.170 -0.127 -1.583) 1.972 4.689 ( -0.442 -1.818 1.012) 2.127 4.774 ( -1.108 0.012 -1.638) 1.977 4.824 ( -1.214 2.745 2.150) 3.692 4.924 ( 0.492 0.604 -0.734) 1.070 4.976 ( -0.678 -0.289 0.111) 0.746 5.084 ( -0.183 0.763 2.936) 3.040 5.151 ( 2.207 -1.576 -5.650) 6.267 5.247 ( 0.391 -0.805 6.334) 6.397 5.394 ( -1.506 4.438 -2.661) 5.389 5.440 ( -3.601 -3.385 0.894) 5.022 5.771 ( -0.142 5.355 -3.518) 6.409 5.951 ( 4.636 0.432 0.710) 4.710 6.118 ( -6.731 -0.170 2.818) 7.299 6.395 ( 10.999 -6.077 6.245) 14.033 6.724 ( 1.879 -6.584 -2.729) 7.371 6.911 ( -8.568 -8.747 -1.122) 12.295 7.539 ( -8.064 3.540 3.227) 9.380 7.671 ( -2.392 -18.773 3.239) 19.200 8.006 ( 6.828 -5.760 -3.654) 9.652 8.140 ( -5.552 2.483 -2.626) 6.625 8.310 ( 2.708 1.983 -4.059) 5.267 8.640 ( 1.887 10.583 4.722) 11.741 8.969 ( -1.177 5.677 -2.127) 6.175 ======================= Grid point 137 (61/95) ======================= q-point: ( 0.56 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -1.066 -0.000 -1.255) 1.646 1.087 ( 2.393 0.000 -0.307) 2.413 1.242 ( 1.412 0.000 1.467) 2.036 1.275 ( 0.267 0.000 -1.767) 1.787 1.416 ( 1.088 0.000 2.564) 2.786 1.469 ( 0.466 0.000 -0.855) 0.974 1.506 ( -0.847 -0.000 -0.410) 0.941 1.559 ( -0.595 -0.000 -3.031) 3.089 1.604 ( -4.971 -0.000 3.767) 6.237 1.756 ( -3.931 -0.000 1.787) 4.318 1.787 ( -4.248 -0.000 -1.198) 4.413 1.848 ( -5.789 -0.000 -2.098) 6.158 1.959 ( 2.396 0.000 3.415) 4.172 1.988 ( 1.612 0.000 -3.449) 3.807 2.054 ( -1.172 -0.000 1.112) 1.616 2.083 ( -1.496 -0.000 -0.174) 1.506 2.167 ( -0.128 -0.000 1.874) 1.879 2.237 ( 3.162 0.000 2.134) 3.815 2.254 ( -0.129 -0.000 -0.208) 0.245 2.314 ( 4.739 0.000 0.465) 4.762 2.415 ( 3.295 0.000 0.213) 3.302 2.471 ( 3.929 0.000 -3.011) 4.950 2.623 ( -2.873 -0.000 -3.002) 4.155 2.644 ( 2.644 0.000 2.320) 3.518 2.787 ( -1.279 -0.000 -2.949) 3.214 2.861 ( 3.499 0.000 1.244) 3.713 2.972 ( -0.755 -0.000 -0.256) 0.797 2.997 ( -1.304 -0.000 -0.050) 1.305 3.082 ( -1.668 -0.000 2.193) 2.755 3.184 ( -0.725 -0.000 -0.047) 0.726 4.025 ( -0.013 -0.000 1.734) 1.734 4.132 ( 0.314 0.000 -0.335) 0.459 4.140 ( -0.143 -0.000 -0.360) 0.388 4.190 ( 2.521 0.000 -2.942) 3.875 4.479 ( 0.561 0.000 0.893) 1.054 4.484 ( 0.317 0.000 0.180) 0.364 4.635 ( 0.502 0.000 -3.139) 3.179 4.639 ( 0.455 0.000 -0.990) 1.089 4.804 ( 1.020 0.000 4.036) 4.163 4.896 ( -0.788 -0.000 -3.339) 3.431 4.919 ( -2.433 -0.000 -0.663) 2.522 4.924 ( 0.969 0.000 6.566) 6.637 5.086 ( -0.754 -0.000 -0.888) 1.164 5.140 ( -4.298 -0.000 -0.963) 4.405 5.166 ( -2.826 -0.000 6.144) 6.763 5.503 ( 0.493 0.000 1.852) 1.916 5.563 ( -0.989 -0.000 -8.036) 8.097 5.893 ( 11.493 0.000 -4.991) 12.530 5.915 ( -2.318 -0.000 1.223) 2.621 6.109 ( -1.937 -0.000 -1.657) 2.549 6.431 ( -7.438 -0.000 -6.646) 9.974 6.492 ( 9.039 0.000 -1.007) 9.095 6.870 ( -15.683 -0.000 10.091) 18.649 7.190 ( -9.617 -0.000 2.700) 9.989 7.528 ( 6.502 0.000 4.780) 8.070 7.617 ( 10.664 0.000 -4.455) 11.557 8.249 ( -0.746 -0.000 8.634) 8.666 8.629 ( -5.098 -0.000 -11.993) 13.032 8.637 ( 3.010 0.000 10.968) 11.373 9.163 ( 1.925 0.000 -8.021) 8.249 ======================= Grid point 139 (62/95) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.446 2.051 -0.869) 2.271 1.114 ( 3.335 4.124 0.501) 5.327 1.210 ( 1.535 8.772 0.421) 8.915 1.299 ( 3.233 2.657 -0.377) 4.202 1.435 ( -1.450 4.458 -0.702) 4.740 1.445 ( -0.656 -1.646 1.521) 2.335 1.538 ( -1.567 -1.798 1.221) 2.679 1.555 ( 0.365 -4.301 -0.152) 4.319 1.573 ( -0.437 -5.003 -0.819) 5.089 1.635 ( -4.505 2.102 0.221) 4.976 1.734 ( -6.947 -1.946 -1.463) 7.361 1.756 ( -4.253 -5.837 0.038) 7.222 1.961 ( 1.445 3.866 0.275) 4.136 2.020 ( -0.352 0.215 -0.541) 0.680 2.043 ( -0.104 -2.580 -0.506) 2.631 2.078 ( -0.889 -2.832 0.162) 2.973 2.180 ( 1.177 0.679 2.454) 2.805 2.247 ( -0.096 0.719 0.006) 0.726 2.314 ( 5.563 2.494 2.278) 6.509 2.381 ( 4.086 1.680 1.424) 4.642 2.464 ( 2.019 0.547 -0.703) 2.207 2.500 ( -0.811 1.145 -1.894) 2.357 2.561 ( -1.779 0.552 -2.739) 3.312 2.678 ( 3.419 2.892 -0.637) 4.523 2.782 ( 1.244 1.634 -1.635) 2.625 2.921 ( 1.198 -3.334 0.255) 3.552 2.944 ( -4.896 0.209 0.791) 4.964 2.967 ( -0.507 -1.053 0.020) 1.169 3.078 ( 0.347 -0.698 1.199) 1.430 3.167 ( -1.488 -0.666 -0.225) 1.645 4.035 ( 0.701 0.267 1.403) 1.591 4.126 ( -0.426 0.852 -0.380) 1.026 4.138 ( -0.188 -0.490 -0.614) 0.808 4.224 ( 2.353 0.577 -1.772) 3.002 4.473 ( 0.355 2.436 0.972) 2.647 4.493 ( 0.712 0.598 -0.241) 0.961 4.629 ( -0.431 -0.923 -2.656) 2.844 4.641 ( -0.766 -1.757 -3.249) 3.772 4.822 ( -1.085 1.477 -0.462) 1.890 4.851 ( -0.911 -0.992 2.161) 2.547 4.907 ( 0.649 -0.209 -0.968) 1.184 4.948 ( -1.422 -1.973 3.475) 4.241 5.080 ( -0.189 -0.818 -1.972) 2.143 5.118 ( -0.330 2.041 4.606) 5.048 5.158 ( -0.198 -2.161 5.792) 6.185 5.498 ( -2.048 1.701 -5.135) 5.784 5.588 ( 4.025 -1.389 -3.762) 5.682 5.863 ( 1.787 4.526 3.577) 6.039 5.980 ( 0.092 0.194 -0.660) 0.694 6.105 ( 4.294 3.630 -1.798) 5.903 6.277 ( -6.890 1.802 -3.419) 7.900 6.589 ( 3.212 1.124 1.104) 3.578 6.714 ( -11.071 -11.011 1.861) 15.725 7.127 ( -6.881 -14.163 3.369) 16.102 7.632 ( 3.422 0.539 7.579) 8.333 7.760 ( 6.764 -2.788 -5.597) 9.211 8.252 ( -0.365 0.994 4.797) 4.912 8.485 ( -5.615 3.241 -12.429) 14.018 8.737 ( 5.572 2.279 9.336) 11.109 9.145 ( -0.777 2.249 -4.780) 5.339 ======================= Grid point 140 (63/95) ======================= q-point: (-0.22 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.055 1.994 -1.433) 2.456 1.116 ( 2.954 7.459 1.856) 8.235 1.171 ( 3.167 6.828 -0.389) 7.537 1.243 ( -0.807 12.285 -1.368) 12.387 1.411 ( 0.920 -0.284 0.406) 1.045 1.441 ( -0.021 -1.190 -0.287) 1.224 1.526 ( -2.331 -0.965 0.435) 2.560 1.537 ( -1.564 -0.921 -0.275) 1.836 1.630 ( 1.365 -6.722 -0.364) 6.868 1.669 ( -2.800 -4.479 -1.142) 5.404 1.714 ( 3.036 -8.695 2.599) 9.569 1.759 ( -2.321 -6.008 -0.182) 6.443 1.957 ( 2.265 3.088 -0.719) 3.897 1.986 ( -1.952 1.682 -0.136) 2.580 2.064 ( -0.307 -2.304 -0.534) 2.385 2.108 ( 0.572 -3.846 -0.440) 3.913 2.199 ( 1.137 1.217 2.301) 2.841 2.231 ( -0.974 1.080 -0.370) 1.501 2.349 ( 2.917 5.785 0.649) 6.511 2.404 ( -2.440 4.598 -1.142) 5.329 2.449 ( 0.414 3.133 0.725) 3.242 2.467 ( 1.883 -0.566 0.834) 2.136 2.546 ( -1.212 -1.234 -0.116) 1.734 2.703 ( 4.389 4.209 -3.873) 7.210 2.767 ( -0.001 2.828 -0.017) 2.828 2.840 ( -6.937 0.887 0.374) 7.004 2.946 ( -1.605 -2.912 -0.031) 3.325 2.976 ( -0.034 -0.400 0.305) 0.504 3.111 ( 1.088 -2.161 1.081) 2.650 3.157 ( -0.397 -1.292 -0.739) 1.541 4.047 ( 0.668 0.627 0.945) 1.316 4.107 ( -0.616 0.844 0.164) 1.058 4.135 ( -0.534 -0.478 -0.824) 1.092 4.232 ( 0.301 1.910 -0.209) 1.945 4.459 ( 0.330 1.915 0.524) 2.013 4.493 ( 0.703 0.679 -2.083) 2.300 4.617 ( -1.295 -0.667 -2.348) 2.763 4.642 ( -0.532 -3.009 -1.347) 3.340 4.778 ( -1.406 0.496 -1.728) 2.283 4.862 ( -0.380 1.231 4.259) 4.450 4.925 ( 0.807 -0.372 -0.608) 1.077 4.955 ( -0.731 -2.083 1.029) 2.436 5.098 ( 1.628 -2.291 -2.831) 3.989 5.101 ( -0.493 1.004 1.607) 1.958 5.227 ( 3.832 -1.846 3.758) 5.676 5.413 ( -3.755 1.041 -1.076) 4.043 5.520 ( -3.981 6.592 -4.101) 8.725 5.913 ( -2.126 7.297 0.108) 7.601 5.987 ( 8.095 4.695 0.920) 9.403 6.127 ( -4.213 0.937 4.026) 5.903 6.265 ( 9.970 -6.893 5.696) 13.393 6.595 ( -5.999 -9.884 -0.119) 11.562 6.723 ( 1.991 -4.905 -4.045) 6.662 7.236 ( -2.520 -21.871 0.851) 22.032 7.643 ( -2.134 4.470 6.545) 8.208 7.882 ( 5.127 -6.349 -3.356) 8.824 8.225 ( -2.557 4.039 -1.342) 4.965 8.350 ( -1.725 2.168 -8.089) 8.550 8.798 ( 2.997 5.932 5.987) 8.945 9.070 ( -3.100 4.069 -1.667) 5.380 ======================= Grid point 141 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -2.765 0.611 -2.443) 3.740 1.071 ( -0.931 7.791 -1.205) 7.938 1.132 ( -0.079 5.746 1.369) 5.908 1.160 ( 0.549 3.099 0.213) 3.155 1.414 ( 1.810 1.781 -1.224) 2.819 1.457 ( 0.532 1.650 -0.420) 1.784 1.504 ( -0.107 -0.858 0.453) 0.976 1.573 ( 1.087 -4.640 0.379) 4.781 1.686 ( -0.983 -4.410 0.331) 4.531 1.720 ( 2.601 -4.785 -0.589) 5.478 1.783 ( -1.076 -5.901 -0.482) 6.018 1.867 ( 3.622 -6.608 2.077) 7.817 1.932 ( -1.747 1.859 0.537) 2.607 1.960 ( 1.615 3.275 -2.027) 4.177 2.079 ( 0.297 -1.457 -0.022) 1.487 2.161 ( 0.094 -3.582 -0.225) 3.590 2.179 ( -0.732 2.868 0.622) 3.025 2.223 ( 1.054 -0.795 0.441) 1.392 2.302 ( -2.972 3.247 -0.143) 4.404 2.329 ( 1.018 6.498 -0.327) 6.585 2.382 ( -2.402 5.139 0.223) 5.677 2.524 ( 1.477 -0.618 1.143) 1.968 2.543 ( -0.235 -1.677 -0.023) 1.693 2.703 ( -6.550 -0.441 1.562) 6.748 2.729 ( 1.082 1.485 -5.746) 6.033 2.755 ( 3.319 4.243 1.286) 5.538 2.935 ( -1.940 -0.966 0.700) 2.277 2.974 ( -0.171 -0.045 0.159) 0.238 3.136 ( 0.090 -1.183 -0.927) 1.506 3.179 ( 0.757 -1.664 0.723) 1.966 4.049 ( 0.069 0.316 0.189) 0.375 4.098 ( 0.249 0.471 0.583) 0.790 4.126 ( -0.552 -0.074 -0.445) 0.713 4.205 ( -1.461 1.422 1.247) 2.390 4.454 ( 0.892 1.284 -0.186) 1.575 4.491 ( 0.307 0.095 -4.138) 4.150 4.597 ( -1.125 -0.880 -1.372) 1.981 4.663 ( -0.260 -2.609 0.124) 2.625 4.757 ( -0.769 0.148 -0.357) 0.861 4.833 ( -1.248 2.530 0.524) 2.870 4.936 ( 0.894 0.406 -1.037) 1.428 4.957 ( -0.966 -1.201 0.719) 1.700 5.076 ( -0.776 1.248 0.904) 1.726 5.145 ( 1.271 -1.049 -3.370) 3.752 5.334 ( 6.318 -2.418 -1.574) 6.946 5.386 ( -1.608 1.814 4.437) 5.056 5.438 ( 1.746 -0.141 3.323) 3.757 5.790 ( -3.164 5.614 -1.763) 6.681 5.959 ( -6.885 2.656 2.580) 7.818 6.074 ( 1.167 3.459 0.408) 3.673 6.474 ( -1.740 -4.871 -5.170) 7.314 6.712 ( 11.006 -6.086 9.648) 15.851 6.820 ( 6.524 -4.381 0.375) 7.867 7.403 ( -0.520 -9.690 -5.944) 11.380 7.575 ( -1.803 -3.354 8.390) 9.214 8.001 ( 0.712 -2.511 -4.048) 4.817 8.131 ( 1.237 0.316 -1.971) 2.348 8.328 ( -0.081 -0.400 -3.892) 3.914 8.741 ( -2.743 8.794 3.418) 9.826 8.976 ( -3.108 3.458 -0.818) 4.721 ======================= Grid point 148 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.197 -0.000 -0.913) 1.505 1.180 ( 2.124 0.000 0.687) 2.232 1.315 ( 1.450 0.000 1.654) 2.200 1.322 ( 2.531 0.000 -1.163) 2.785 1.447 ( 0.875 0.000 0.135) 0.885 1.476 ( -1.408 -0.000 -0.116) 1.413 1.495 ( -3.462 -0.000 -0.617) 3.516 1.543 ( 2.417 0.000 -2.649) 3.586 1.549 ( -1.744 -0.000 4.498) 4.824 1.585 ( 1.955 0.000 0.147) 1.960 1.620 ( -3.767 -0.000 -1.731) 4.146 1.653 ( -2.277 -0.000 0.836) 2.425 2.007 ( 1.062 0.000 -0.127) 1.069 2.012 ( -0.253 -0.000 -1.524) 1.545 2.027 ( 0.170 0.000 0.311) 0.355 2.057 ( 0.780 0.000 -0.366) 0.861 2.210 ( 0.935 0.000 2.589) 2.753 2.242 ( -0.818 -0.000 -0.750) 1.110 2.425 ( 3.499 0.000 1.703) 3.891 2.442 ( 1.429 0.000 0.012) 1.429 2.479 ( -1.434 -0.000 -0.329) 1.472 2.483 ( -0.609 -0.000 -0.300) 0.679 2.518 ( -1.021 -0.000 -0.152) 1.032 2.733 ( 1.178 0.000 -4.123) 4.288 2.834 ( 1.148 0.000 -0.611) 1.300 2.856 ( -3.462 -0.000 0.029) 3.462 2.885 ( -2.200 -0.000 0.006) 2.200 2.969 ( 0.364 0.000 1.254) 1.306 3.091 ( 1.311 0.000 1.241) 1.806 3.138 ( -1.157 -0.000 -0.995) 1.526 4.057 ( 1.125 0.000 1.197) 1.643 4.114 ( -1.318 -0.000 0.784) 1.534 4.128 ( -0.535 -0.000 -1.225) 1.337 4.251 ( 0.679 0.000 -1.414) 1.569 4.494 ( 0.342 0.000 -0.694) 0.774 4.507 ( 0.254 0.000 1.768) 1.786 4.597 ( -0.665 -0.000 -4.058) 4.112 4.608 ( -1.192 -0.000 -2.729) 2.978 4.787 ( -1.567 -0.000 -2.481) 2.934 4.872 ( 0.289 0.000 6.039) 6.045 4.919 ( 1.374 0.000 -1.037) 1.722 4.924 ( -0.555 -0.000 1.716) 1.803 5.078 ( 1.710 0.000 -3.832) 4.197 5.117 ( -0.916 -0.000 1.749) 1.974 5.201 ( 2.721 0.000 3.779) 4.657 5.430 ( -3.937 -0.000 -1.984) 4.409 5.594 ( -3.101 -0.000 -5.649) 6.444 5.988 ( -0.610 -0.000 0.915) 1.100 6.079 ( 13.970 0.000 10.678) 17.584 6.154 ( -0.524 -0.000 0.942) 1.078 6.174 ( -1.059 -0.000 -1.754) 2.048 6.431 ( -7.593 -0.000 4.845) 9.007 6.758 ( 9.963 0.000 -8.310) 12.974 6.945 ( -6.141 -0.000 3.295) 6.969 7.705 ( 1.310 0.000 9.383) 9.474 7.800 ( 2.055 0.000 -6.482) 6.800 8.262 ( -0.319 -0.000 1.727) 1.757 8.377 ( -4.482 -0.000 -11.869) 12.687 8.857 ( 3.995 0.000 6.703) 7.803 9.109 ( -3.877 -0.000 -1.539) 4.171 ======================= Grid point 149 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -5.332 0.110 -1.620) 5.574 1.190 ( -0.343 1.528 -0.197) 1.578 1.246 ( -2.416 6.513 0.768) 6.989 1.278 ( -7.801 8.249 -0.880) 11.387 1.429 ( 2.428 -2.015 0.590) 3.210 1.477 ( 3.188 0.777 -0.219) 3.289 1.500 ( 0.141 -2.035 -0.581) 2.121 1.541 ( 1.668 2.344 -0.201) 2.884 1.594 ( -1.059 -3.086 1.460) 3.574 1.634 ( 4.643 -4.034 -0.773) 6.199 1.644 ( 1.204 -3.959 0.561) 4.176 1.723 ( 3.761 -7.390 1.521) 8.431 1.983 ( -0.825 2.451 -0.526) 2.639 2.015 ( 1.399 1.401 -1.349) 2.396 2.053 ( 1.762 -0.706 0.230) 1.912 2.101 ( 2.485 -2.274 -0.434) 3.396 2.213 ( -2.025 0.611 -1.080) 2.374 2.223 ( 0.272 0.287 1.250) 1.311 2.374 ( -3.850 3.921 0.333) 5.506 2.430 ( -2.407 -0.293 -0.190) 2.432 2.452 ( 0.730 4.176 -0.237) 4.245 2.506 ( -0.073 -1.144 0.720) 1.354 2.530 ( 1.054 0.390 1.679) 2.020 2.686 ( -5.597 -0.823 0.783) 5.712 2.757 ( -2.805 1.020 -6.411) 7.072 2.836 ( 0.445 3.164 2.258) 3.912 2.920 ( 2.378 -0.276 0.081) 2.395 2.973 ( -0.083 -0.436 0.071) 0.449 3.115 ( 0.675 -0.196 -0.167) 0.722 3.140 ( 0.578 -2.205 0.124) 2.283 4.066 ( 0.064 1.314 0.342) 1.359 4.101 ( -0.585 -0.706 1.224) 1.530 4.116 ( -0.586 -0.379 -0.835) 1.088 4.232 ( -1.818 1.034 -0.087) 2.093 4.490 ( 0.293 2.148 0.729) 2.287 4.503 ( 0.446 0.622 -2.393) 2.513 4.580 ( -0.885 -0.447 -2.501) 2.690 4.607 ( 0.025 -2.898 -1.007) 3.068 4.765 ( -0.342 0.538 -0.893) 1.097 4.869 ( -2.305 0.802 2.341) 3.381 4.926 ( -0.345 -0.973 1.845) 2.114 4.942 ( 1.435 -0.041 -1.188) 1.863 5.089 ( 0.513 0.052 1.449) 1.538 5.152 ( 4.492 1.935 -5.972) 7.719 5.230 ( 0.659 -4.461 -3.366) 5.627 5.400 ( -0.108 -0.731 2.195) 2.316 5.510 ( -2.677 3.514 0.921) 4.513 5.892 ( -7.477 3.685 7.526) 11.231 6.001 ( -7.257 1.474 -5.124) 9.005 6.167 ( 2.771 3.648 3.640) 5.851 6.395 ( 1.916 -0.856 -2.353) 3.153 6.574 ( 21.852 -6.727 12.787) 26.197 6.820 ( 5.594 5.251 -1.814) 7.884 7.065 ( 8.063 -17.599 -4.894) 19.967 7.674 ( -3.120 7.765 5.027) 9.762 7.849 ( 0.536 -9.179 -1.314) 9.288 8.221 ( -2.165 4.561 -2.858) 5.802 8.307 ( -1.063 -1.673 -6.823) 7.105 8.882 ( -0.867 4.926 2.885) 5.774 9.014 ( -6.425 0.416 0.784) 6.486 ======================= Grid point 150 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -8.763 -1.899 -0.813) 9.003 1.036 ( -10.841 5.420 0.280) 12.123 1.124 ( -5.680 3.621 -1.730) 6.954 1.177 ( -0.716 2.590 -1.204) 2.945 1.463 ( -0.952 -2.040 0.157) 2.256 1.505 ( 1.444 1.214 0.873) 2.079 1.526 ( 1.067 -0.290 -0.812) 1.372 1.570 ( -0.318 -3.448 0.259) 3.472 1.625 ( 3.243 0.978 1.495) 3.703 1.701 ( 0.281 -5.402 -0.182) 5.412 1.762 ( 6.615 -2.820 -0.343) 7.199 1.859 ( 2.863 -7.473 1.559) 8.153 1.944 ( -0.031 4.025 -0.620) 4.073 1.996 ( -0.682 3.632 -1.933) 4.171 2.100 ( 2.789 -0.699 0.427) 2.907 2.133 ( -1.362 0.830 1.468) 2.168 2.178 ( -0.787 -0.376 -1.611) 1.832 2.246 ( 2.132 -1.126 -0.074) 2.412 2.276 ( -3.000 2.509 0.322) 3.924 2.392 ( 0.699 4.474 0.629) 4.571 2.425 ( 0.987 3.820 -0.069) 3.947 2.481 ( -4.292 -1.744 0.481) 4.658 2.541 ( 0.887 0.687 0.313) 1.165 2.607 ( -4.466 -0.140 -0.340) 4.481 2.717 ( 0.132 -1.060 -3.492) 3.651 2.848 ( 1.466 0.234 4.512) 4.750 2.921 ( 0.405 2.249 -2.084) 3.093 2.991 ( 1.943 0.955 -0.309) 2.187 3.128 ( 0.435 -1.179 -1.464) 1.930 3.172 ( 0.263 -1.807 1.405) 2.304 4.052 ( -0.046 0.557 -0.247) 0.611 4.105 ( -0.335 -0.655 0.609) 0.955 4.114 ( 0.083 -0.349 -0.109) 0.375 4.185 ( -2.386 1.342 1.202) 2.990 4.479 ( 0.315 1.100 0.967) 1.498 4.496 ( 0.587 1.318 -4.233) 4.472 4.572 ( -0.015 -0.821 -1.432) 1.650 4.632 ( -0.340 -2.844 0.232) 2.874 4.749 ( -0.729 1.122 -0.173) 1.349 4.825 ( -1.354 0.123 0.107) 1.364 4.937 ( -0.164 -0.955 1.466) 1.757 4.952 ( 0.485 0.620 -1.196) 1.432 5.101 ( 0.572 2.137 -1.670) 2.772 5.167 ( 3.706 -0.950 -2.637) 4.647 5.336 ( 4.053 -5.825 -6.155) 9.394 5.408 ( -2.690 -3.824 0.587) 4.712 5.450 ( -0.933 5.594 6.378) 8.534 5.803 ( -1.577 3.657 0.538) 4.019 5.863 ( -5.464 0.831 5.117) 7.532 6.167 ( 2.491 6.562 1.471) 7.171 6.387 ( -1.439 1.149 -3.567) 4.014 6.850 ( 5.647 0.934 -0.018) 5.724 7.067 ( 20.312 -3.948 12.856) 24.361 7.364 ( 10.333 -8.069 -10.899) 17.049 7.552 ( -3.314 2.778 6.516) 7.820 7.968 ( 2.808 -10.866 -0.761) 11.248 8.151 ( 0.350 2.247 -2.508) 3.385 8.292 ( -0.710 -0.273 -4.302) 4.369 8.733 ( -9.062 8.361 2.209) 12.526 8.926 ( -4.471 -0.005 -0.446) 4.493 ======================= Grid point 158 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -10.029 -0.000 -0.628) 10.049 1.101 ( -11.699 -0.000 1.070) 11.748 1.199 ( -2.354 -0.000 -2.608) 3.513 1.204 ( -7.998 -0.000 -2.231) 8.304 1.404 ( -3.425 -0.000 1.734) 3.839 1.441 ( -6.562 -0.000 0.537) 6.584 1.538 ( 3.349 0.000 0.819) 3.448 1.583 ( 2.590 0.000 -1.225) 2.865 1.651 ( 6.315 0.000 0.653) 6.349 1.688 ( 3.755 0.000 2.452) 4.484 1.716 ( 6.598 0.000 -0.441) 6.612 1.750 ( 4.931 0.000 0.275) 4.939 1.995 ( 0.757 0.000 -1.287) 1.493 2.030 ( 0.699 0.000 -0.913) 1.149 2.086 ( 1.278 0.000 0.139) 1.286 2.138 ( 0.983 0.000 0.834) 1.289 2.180 ( -0.095 -0.000 -1.741) 1.743 2.231 ( 1.080 0.000 -0.478) 1.181 2.344 ( -4.502 -0.000 -0.417) 4.522 2.362 ( -2.382 -0.000 2.888) 3.744 2.466 ( -0.746 -0.000 -0.031) 0.747 2.496 ( -0.470 -0.000 -0.069) 0.475 2.562 ( 1.419 0.000 0.913) 1.688 2.599 ( -3.693 -0.000 0.172) 3.697 2.704 ( -1.206 -0.000 -5.446) 5.578 2.844 ( -1.009 -0.000 5.455) 5.547 2.957 ( -0.397 -0.000 -1.495) 1.547 3.002 ( 4.809 0.000 -1.436) 5.019 3.112 ( -0.531 -0.000 -1.835) 1.911 3.148 ( 1.083 0.000 2.117) 2.378 4.072 ( -0.316 -0.000 -1.542) 1.574 4.079 ( -0.967 -0.000 1.705) 1.960 4.115 ( 0.294 0.000 0.197) 0.354 4.203 ( -2.175 -0.000 0.641) 2.268 4.491 ( -0.827 -0.000 1.550) 1.757 4.511 ( 0.451 0.000 -3.172) 3.204 4.576 ( 0.219 0.000 -1.399) 1.416 4.586 ( 0.344 0.000 -0.893) 0.957 4.770 ( 0.661 0.000 -0.486) 0.820 4.814 ( -3.423 -0.000 0.124) 3.425 4.931 ( -0.273 -0.000 2.471) 2.486 4.959 ( 0.641 0.000 -1.377) 1.519 5.135 ( -3.265 -0.000 -3.931) 5.110 5.146 ( 5.693 0.000 0.046) 5.694 5.282 ( 8.252 0.000 -9.941) 12.920 5.360 ( -4.276 -0.000 1.018) 4.395 5.504 ( -1.162 -0.000 5.394) 5.517 5.856 ( -7.284 -0.000 -7.703) 10.602 5.858 ( -1.831 -0.000 13.406) 13.531 6.229 ( 1.813 0.000 3.118) 3.607 6.439 ( 3.153 0.000 -2.323) 3.916 6.849 ( 2.674 0.000 0.126) 2.677 6.999 ( 20.009 0.000 16.195) 25.742 7.245 ( 22.518 0.000 -12.040) 25.535 7.718 ( -3.101 -0.000 -5.531) 6.341 7.732 ( -2.571 -0.000 9.524) 9.865 8.187 ( -4.907 -0.000 -0.519) 4.935 8.291 ( 4.203 0.000 -7.833) 8.889 8.861 ( -11.768 -0.000 2.957) 12.134 8.888 ( -2.512 -0.000 -0.455) 2.552 ======================= Grid point 159 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -11.685 -1.876 2.872) 12.179 0.865 ( -14.701 3.232 2.198) 15.212 1.030 ( -8.835 3.307 -2.951) 9.884 1.149 ( -3.415 -0.759 -5.976) 6.925 1.279 ( -15.417 -6.321 0.995) 16.692 1.347 ( -8.143 -5.960 2.339) 10.358 1.589 ( 3.650 2.160 -0.189) 4.245 1.621 ( 2.994 0.515 -0.583) 3.093 1.701 ( 2.166 2.166 1.554) 3.435 1.792 ( 8.300 2.669 0.741) 8.750 1.834 ( 3.442 -5.083 1.489) 6.317 1.861 ( 5.967 -1.693 -0.753) 6.248 1.975 ( -1.335 3.918 -1.424) 4.377 2.013 ( -0.249 0.975 -0.640) 1.192 2.100 ( -3.412 0.548 0.759) 3.538 2.117 ( 1.124 -1.113 0.666) 1.716 2.204 ( 1.189 1.043 -0.464) 1.649 2.248 ( -0.431 2.273 -0.840) 2.461 2.274 ( 0.569 -0.340 -0.449) 0.801 2.366 ( -2.524 -3.773 1.621) 4.820 2.474 ( 3.315 1.792 0.205) 3.774 2.488 ( 2.056 1.247 -0.229) 2.415 2.559 ( -0.594 1.294 -1.724) 2.236 2.579 ( 1.834 2.280 0.069) 2.927 2.707 ( 1.488 -1.459 -2.117) 2.971 2.850 ( -0.560 -1.450 4.261) 4.535 2.951 ( 1.013 0.971 -0.729) 1.581 3.042 ( 1.370 2.455 -1.075) 3.010 3.106 ( -0.754 -2.242 -1.356) 2.726 3.175 ( 1.180 -0.584 1.426) 1.941 4.060 ( 0.439 0.708 -0.687) 1.080 4.084 ( -0.464 -1.488 0.622) 1.679 4.118 ( 0.115 0.034 -0.294) 0.317 4.167 ( -1.835 1.174 1.148) 2.463 4.488 ( -0.719 0.345 1.514) 1.711 4.493 ( -0.576 0.256 -2.110) 2.202 4.578 ( 1.309 0.066 -1.074) 1.695 4.606 ( 0.300 -2.160 -0.121) 2.184 4.763 ( 0.845 2.273 -0.646) 2.509 4.809 ( 0.919 -2.108 -0.538) 2.362 4.932 ( -0.602 -0.542 2.908) 3.018 4.957 ( 0.281 0.366 -0.983) 1.086 5.092 ( -0.227 0.184 -4.066) 4.077 5.233 ( 3.072 0.059 -2.244) 3.805 5.297 ( -4.062 -2.149 2.764) 5.363 5.353 ( 1.070 -2.160 -10.256) 10.535 5.521 ( 4.744 3.217 4.994) 7.602 5.752 ( -2.473 0.298 -3.525) 4.317 5.878 ( -1.061 0.819 9.340) 9.436 6.271 ( 3.912 3.157 3.578) 6.170 6.432 ( 1.768 7.577 -2.524) 8.179 6.917 ( 3.753 -2.952 -0.199) 4.780 7.306 ( 6.642 -2.475 14.752) 16.367 7.488 ( 1.018 5.142 -7.526) 9.171 7.616 ( 10.744 3.601 -5.181) 12.460 7.880 ( 4.822 -17.128 2.104) 17.918 8.098 ( -5.907 -1.924 -0.912) 6.279 8.382 ( 10.988 3.801 -5.280) 12.770 8.617 ( -14.505 5.939 3.977) 16.170 8.854 ( -1.841 -1.172 -1.198) 2.490 ======================= Grid point 168 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -9.932 -0.000 9.927) 14.043 0.636 ( -16.111 -0.000 4.708) 16.785 0.882 ( -12.832 -0.000 -1.823) 12.961 0.913 ( -19.330 -0.000 0.063) 19.330 0.993 ( -11.461 -0.000 -4.238) 12.219 1.253 ( -1.189 -0.000 -2.981) 3.209 1.632 ( 0.396 0.000 -0.943) 1.023 1.663 ( 3.081 0.000 0.042) 3.081 1.777 ( 2.487 0.000 3.036) 3.925 1.822 ( 1.634 0.000 -0.352) 1.671 1.910 ( -1.129 -0.000 -0.057) 1.130 1.942 ( -0.368 -0.000 -0.345) 0.505 1.977 ( 0.463 0.000 -0.676) 0.820 1.995 ( 4.948 0.000 1.450) 5.156 2.069 ( -1.454 -0.000 0.356) 1.497 2.143 ( 1.688 0.000 -0.398) 1.735 2.183 ( -1.869 -0.000 1.033) 2.135 2.260 ( -0.274 -0.000 -1.085) 1.119 2.265 ( -1.105 -0.000 -1.931) 2.225 2.340 ( 0.274 0.000 1.757) 1.779 2.549 ( 5.519 0.000 -0.714) 5.565 2.553 ( 4.943 0.000 0.360) 4.956 2.587 ( 2.685 0.000 -3.033) 4.051 2.635 ( 3.035 0.000 -0.351) 3.055 2.729 ( 2.163 0.000 -0.694) 2.272 2.845 ( -0.055 -0.000 1.628) 1.629 2.970 ( 0.831 0.000 2.070) 2.231 3.056 ( -2.243 -0.000 -0.654) 2.336 3.061 ( -1.220 -0.000 -0.161) 1.230 3.202 ( 1.771 0.000 -0.170) 1.779 4.070 ( -0.408 -0.000 1.811) 1.857 4.080 ( 1.707 0.000 -1.921) 2.570 4.117 ( -0.027 -0.000 -0.696) 0.696 4.149 ( -1.491 -0.000 0.939) 1.762 4.469 ( -0.996 -0.000 -2.297) 2.504 4.481 ( -1.465 -0.000 3.063) 3.395 4.596 ( 1.345 0.000 -0.655) 1.496 4.608 ( 1.160 0.000 -0.042) 1.161 4.799 ( 0.644 0.000 -2.466) 2.548 4.817 ( 2.915 0.000 -0.449) 2.950 4.925 ( -0.848 -0.000 3.369) 3.474 4.978 ( 1.592 0.000 -0.352) 1.631 5.120 ( 5.188 0.000 -0.529) 5.215 5.200 ( -3.685 -0.000 -7.436) 8.298 5.223 ( -3.632 -0.000 4.972) 6.157 5.331 ( -0.102 -0.000 -5.624) 5.625 5.673 ( 2.240 0.000 8.547) 8.836 5.763 ( 10.920 0.000 -7.572) 13.288 5.838 ( -6.965 -0.000 3.312) 7.712 6.366 ( 2.799 0.000 1.615) 3.232 6.546 ( 8.028 0.000 1.235) 8.123 6.949 ( 3.009 0.000 -0.592) 3.067 7.329 ( -6.745 -0.000 13.206) 14.829 7.416 ( -10.492 -0.000 -7.631) 12.973 7.732 ( 5.999 0.000 -6.096) 8.553 7.950 ( 8.820 0.000 -0.266) 8.824 7.977 ( -5.348 -0.000 -3.662) 6.482 8.393 ( -16.565 -0.000 5.552) 17.470 8.625 ( 15.539 0.000 -3.960) 16.035 8.873 ( 5.013 0.000 0.550) 5.043 ======================= Grid point 169 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -2.900 -0.000 -9.149) 9.598 0.486 ( 2.900 0.000 9.149) 9.598 0.523 ( 1.090 0.000 -9.995) 10.054 0.523 ( -1.090 -0.000 9.995) 10.054 0.933 ( -0.404 -0.000 -19.366) 19.370 0.933 ( 0.404 0.000 19.366) 19.370 1.658 ( -0.644 -0.000 -1.877) 1.984 1.658 ( 0.644 0.000 1.877) 1.984 1.844 ( 2.032 0.000 -1.508) 2.531 1.844 ( -2.032 -0.000 1.508) 2.531 1.869 ( 0.290 0.000 -1.423) 1.453 1.869 ( -0.290 -0.000 1.423) 1.453 1.965 ( 0.693 0.000 -0.413) 0.807 1.965 ( -0.693 -0.000 0.413) 0.807 2.134 ( 1.540 0.000 -1.454) 2.118 2.134 ( -1.540 -0.000 1.454) 2.118 2.237 ( 0.313 0.000 -1.506) 1.538 2.237 ( -0.313 -0.000 1.506) 1.538 2.295 ( -3.027 -0.000 -1.990) 3.622 2.295 ( 3.027 0.000 1.990) 3.622 2.628 ( -0.759 -0.000 -0.512) 0.916 2.628 ( 0.759 0.000 0.512) 0.916 2.726 ( -2.712 -0.000 -0.547) 2.766 2.726 ( 2.712 0.000 0.547) 2.766 2.767 ( 0.032 0.000 -0.688) 0.689 2.767 ( -0.032 -0.000 0.688) 0.689 3.009 ( -0.285 -0.000 -0.014) 0.285 3.009 ( 0.285 0.000 0.014) 0.285 3.141 ( -1.259 -0.000 -4.820) 4.982 3.141 ( 1.259 0.000 4.820) 4.982 4.093 ( 1.141 0.000 -1.834) 2.159 4.093 ( -1.141 -0.000 1.834) 2.159 4.117 ( -1.310 -0.000 0.347) 1.355 4.117 ( 1.310 0.000 -0.347) 1.355 4.445 ( 2.395 0.000 -1.563) 2.860 4.445 ( -2.395 -0.000 1.563) 2.860 4.646 ( 0.292 0.000 -0.868) 0.916 4.646 ( -0.292 -0.000 0.868) 0.916 4.776 ( -0.195 -0.000 -1.474) 1.487 4.776 ( 0.195 0.000 1.474) 1.487 4.958 ( 0.756 0.000 -1.723) 1.881 4.958 ( -0.756 -0.000 1.723) 1.881 5.195 ( 1.695 0.000 -0.880) 1.910 5.195 ( -1.695 -0.000 0.880) 1.910 5.316 ( -12.156 -0.000 1.038) 12.200 5.316 ( 12.156 0.000 -1.038) 12.200 5.550 ( -6.075 -0.000 -3.620) 7.072 5.550 ( 6.075 0.000 3.620) 7.072 6.349 ( -10.543 -0.000 -6.515) 12.393 6.349 ( 10.543 0.000 6.515) 12.393 6.954 ( -2.889 -0.000 -1.395) 3.208 6.954 ( 2.889 0.000 1.395) 3.208 7.149 ( 10.661 0.000 -4.528) 11.583 7.149 ( -10.661 -0.000 4.528) 11.583 7.843 ( -3.589 -0.000 0.930) 3.707 7.843 ( 3.589 0.000 -0.930) 3.707 7.916 ( -8.684 -0.000 -3.141) 9.234 7.916 ( 8.684 0.000 3.141) 9.234 8.961 ( -4.685 -0.000 0.085) 4.686 8.961 ( 4.685 0.000 -0.085) 4.686 ======================= Grid point 171 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 8.762 0.875 -7.157) 11.348 0.603 ( 7.858 -2.003 1.886) 8.326 0.643 ( 9.268 -6.376 -5.386) 12.472 0.702 ( 10.654 -6.083 8.315) 14.820 0.914 ( 4.170 -5.654 -15.183) 16.729 1.023 ( 3.973 -3.607 13.903) 14.903 1.638 ( -1.286 0.899 -0.440) 1.630 1.679 ( 0.463 -1.413 0.852) 1.713 1.800 ( -1.576 3.264 0.353) 3.641 1.846 ( 0.893 3.353 -0.755) 3.551 1.873 ( 1.167 -1.738 0.588) 2.174 1.937 ( 3.101 -3.967 -0.492) 5.059 1.961 ( 0.282 1.376 -0.586) 1.522 2.011 ( 1.901 -2.461 0.887) 3.233 2.091 ( -1.911 4.327 1.556) 4.980 2.130 ( -1.203 2.263 -0.539) 2.619 2.221 ( -0.071 1.025 0.151) 1.038 2.234 ( -0.046 -0.098 -1.814) 1.817 2.270 ( -0.967 -3.223 -0.494) 3.401 2.340 ( 1.510 -0.312 0.862) 1.767 2.577 ( -3.178 4.737 0.122) 5.706 2.603 ( -2.609 2.154 -2.039) 3.950 2.642 ( -2.473 1.313 -0.026) 2.800 2.700 ( -6.834 -1.715 0.055) 7.046 2.723 ( -0.144 3.904 1.339) 4.129 2.842 ( 0.915 -5.163 1.024) 5.342 3.013 ( 1.024 0.952 -0.142) 1.406 3.043 ( 2.088 -1.800 0.213) 2.765 3.100 ( -1.974 -0.122 -4.771) 5.165 3.170 ( 0.592 -0.300 3.432) 3.495 4.070 ( -1.716 0.420 1.437) 2.277 4.097 ( 0.337 0.695 -0.146) 0.786 4.109 ( -0.057 -0.648 -0.750) 0.993 4.139 ( 1.318 0.108 -0.622) 1.461 4.425 ( -0.759 -0.110 1.733) 1.895 4.488 ( 3.070 0.052 -1.240) 3.311 4.633 ( -1.316 -0.382 -1.195) 1.818 4.651 ( -0.471 -2.218 -0.807) 2.407 4.777 ( -0.187 -0.580 -0.281) 0.671 4.803 ( -0.124 -2.797 3.768) 4.694 4.949 ( -0.769 0.703 1.963) 2.222 4.971 ( 1.148 -0.074 -1.705) 2.057 5.117 ( -5.998 1.192 -0.051) 6.115 5.227 ( -0.186 1.190 -0.503) 1.305 5.248 ( 3.274 -1.509 -0.801) 3.693 5.416 ( -9.493 -3.519 -3.220) 10.624 5.572 ( 16.481 -0.036 2.722) 16.704 5.634 ( 2.198 -0.893 4.010) 4.660 6.052 ( -15.774 6.259 -7.526) 18.565 6.393 ( -3.021 3.300 2.716) 5.234 6.724 ( -8.454 15.240 -3.159) 17.712 6.952 ( 3.861 8.623 0.779) 9.480 7.097 ( -2.370 -2.772 5.673) 6.744 7.373 ( 11.874 -5.495 -3.392) 13.516 7.793 ( -0.660 -4.216 -3.068) 5.255 7.889 ( -0.427 -11.240 -0.136) 11.249 7.988 ( 4.037 -7.345 2.117) 8.645 8.204 ( 16.517 -1.978 -1.270) 16.684 8.779 ( -13.924 5.160 2.764) 15.104 8.928 ( -4.792 4.460 1.425) 6.700 ======================= Grid point 172 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 9.669 2.528 -4.662) 11.028 0.756 ( 6.776 -4.035 -9.707) 12.507 0.801 ( 8.717 -2.155 0.945) 9.029 0.899 ( 5.817 -1.854 9.975) 11.695 1.148 ( 13.745 -10.449 -2.564) 17.455 1.259 ( 10.980 -12.228 2.953) 16.698 1.588 ( -2.885 2.369 1.196) 3.920 1.673 ( -3.640 1.442 0.098) 3.917 1.745 ( 0.179 1.254 -1.806) 2.206 1.846 ( 1.987 2.102 0.082) 2.894 1.879 ( -3.726 5.061 0.467) 6.302 1.922 ( -1.893 -1.888 -0.232) 2.684 1.976 ( -0.337 1.379 -0.271) 1.446 2.025 ( -1.841 3.166 0.958) 3.785 2.067 ( -1.562 1.163 0.909) 2.149 2.079 ( 2.879 -2.417 -0.359) 3.776 2.231 ( 0.097 -0.696 -2.169) 2.280 2.245 ( 2.006 -0.151 1.182) 2.333 2.271 ( -2.286 -0.030 -1.570) 2.773 2.370 ( 2.276 -1.239 0.148) 2.596 2.481 ( -2.207 3.325 0.026) 3.991 2.522 ( -3.125 4.443 -0.815) 5.492 2.573 ( -3.863 3.681 -0.111) 5.337 2.603 ( -4.464 -1.143 0.101) 4.609 2.698 ( -0.725 0.469 1.911) 2.097 2.879 ( -1.693 -3.464 1.179) 4.032 3.013 ( -0.464 1.296 0.035) 1.377 3.045 ( -1.669 0.898 -3.212) 3.729 3.099 ( 1.045 -2.576 -0.292) 2.795 3.186 ( 0.407 -0.040 1.350) 1.410 4.048 ( -1.001 -0.124 0.887) 1.343 4.097 ( 0.451 0.723 0.759) 1.141 4.116 ( 0.278 -0.799 -1.027) 1.331 4.153 ( 1.149 0.507 -0.745) 1.460 4.424 ( 0.012 0.292 1.410) 1.440 4.527 ( 1.978 0.642 -0.959) 2.290 4.610 ( -1.536 -0.770 -1.611) 2.355 4.667 ( -0.584 -3.195 -1.371) 3.526 4.770 ( -0.872 0.086 -0.603) 1.063 4.816 ( -2.434 -2.582 3.132) 4.733 4.932 ( -0.976 0.855 1.952) 2.344 4.978 ( 0.213 0.169 -0.559) 0.621 5.073 ( -0.078 -1.061 3.515) 3.673 5.153 ( -5.242 1.179 -3.096) 6.201 5.306 ( 1.181 -1.808 -0.682) 2.265 5.352 ( -1.178 -3.536 -1.400) 3.981 5.623 ( -7.832 0.503 4.948) 9.277 5.762 ( 0.632 6.941 -3.065) 7.614 5.839 ( 8.447 1.370 -2.659) 8.961 6.280 ( -3.815 6.552 -1.523) 7.733 6.507 ( -4.819 5.289 -1.762) 7.369 6.929 ( 3.900 10.303 1.056) 11.066 7.104 ( -1.098 0.069 8.624) 8.694 7.563 ( 3.569 -6.022 1.125) 7.090 7.815 ( -3.150 -4.774 -8.282) 10.065 8.014 ( 4.889 -4.955 -0.743) 7.001 8.127 ( -0.302 -14.176 0.347) 14.184 8.382 ( 9.422 7.742 0.705) 12.215 8.467 ( -15.818 7.457 2.702) 17.695 8.831 ( -1.697 0.180 0.772) 1.873 ======================= Grid point 173 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 8.095 0.072 -4.027) 9.042 0.878 ( 5.783 -3.530 -3.910) 7.822 0.970 ( 8.775 -1.451 0.177) 8.896 1.024 ( 4.908 -1.192 6.656) 8.356 1.436 ( 9.530 -6.603 -0.853) 11.626 1.482 ( -0.749 -0.010 2.406) 2.519 1.545 ( -2.789 3.634 0.274) 4.589 1.590 ( 3.145 -7.550 -0.673) 8.207 1.708 ( -6.481 6.166 -0.998) 9.001 1.766 ( -0.470 -4.048 -1.145) 4.233 1.858 ( 2.585 3.915 -0.110) 4.693 1.883 ( -4.758 1.403 0.313) 4.970 1.940 ( -1.329 3.921 0.900) 4.237 1.977 ( -1.585 -4.406 -0.568) 4.717 2.067 ( 3.121 3.010 0.958) 4.441 2.149 ( 1.687 -1.940 -0.395) 2.601 2.190 ( -4.193 0.744 -1.119) 4.403 2.236 ( 0.151 -1.072 -1.027) 1.492 2.274 ( 1.052 1.012 0.608) 1.581 2.402 ( -5.018 2.712 0.226) 5.709 2.408 ( -3.109 6.126 0.353) 6.879 2.455 ( 5.167 -2.060 -1.365) 5.728 2.540 ( 2.638 0.151 -0.663) 2.725 2.560 ( -1.828 -0.347 -0.091) 1.863 2.703 ( -0.383 -1.618 1.827) 2.470 2.864 ( -3.087 0.154 2.443) 3.940 2.964 ( -2.658 0.417 -1.543) 3.102 3.013 ( -0.950 1.067 -1.443) 2.031 3.126 ( -0.174 -1.494 -0.030) 1.504 3.197 ( 0.758 0.037 0.102) 0.766 4.045 ( -0.211 -0.610 0.543) 0.844 4.102 ( 0.597 0.558 0.637) 1.036 4.123 ( 0.151 -0.233 -0.459) 0.536 4.171 ( 1.572 -0.317 -0.757) 1.773 4.422 ( -0.258 0.765 0.879) 1.194 4.514 ( -1.525 1.956 -1.262) 2.783 4.593 ( -0.879 -1.042 -1.134) 1.774 4.681 ( 0.134 -1.720 -2.161) 2.765 4.752 ( -1.105 -0.512 -1.513) 1.943 4.812 ( -1.383 -1.382 2.720) 3.350 4.921 ( -0.105 0.287 1.187) 1.225 4.971 ( -0.571 0.021 -0.491) 0.753 5.064 ( -1.012 -0.186 -1.855) 2.121 5.144 ( -0.199 -3.443 7.101) 7.894 5.292 ( -3.990 -2.111 1.984) 4.931 5.414 ( 5.452 -1.398 0.289) 5.636 5.494 ( -2.135 2.597 -1.764) 3.797 5.716 ( 0.287 4.754 -1.261) 4.927 5.948 ( 4.652 1.251 -0.982) 4.916 6.147 ( -4.380 6.213 -2.471) 7.993 6.430 ( -1.408 -0.493 -4.279) 4.532 6.883 ( -0.041 6.642 -0.072) 6.642 7.111 ( 0.788 4.152 11.745) 12.482 7.522 ( -15.914 -3.103 2.807) 16.455 7.762 ( 0.866 -1.538 -11.459) 11.594 8.066 ( -5.714 1.746 1.931) 6.279 8.213 ( -0.317 5.036 -0.829) 5.114 8.228 ( -1.492 -7.365 0.737) 7.551 8.505 ( 9.176 -0.846 2.194) 9.472 8.857 ( 1.884 -1.454 -0.568) 2.446 ======================= Grid point 174 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 3.382 -0.839 -1.146) 3.669 0.967 ( 2.598 -1.052 -0.785) 2.911 1.094 ( 3.937 -0.172 0.366) 3.957 1.123 ( 3.700 -1.938 1.443) 4.419 1.410 ( -2.523 1.936 0.812) 3.282 1.447 ( -2.061 2.588 -0.314) 3.323 1.545 ( -4.546 2.866 -0.432) 5.391 1.602 ( 3.224 -2.666 0.060) 4.184 1.718 ( 0.648 -3.136 -0.052) 3.203 1.792 ( -2.431 1.767 -0.084) 3.006 1.806 ( 0.344 -2.465 -0.144) 2.493 1.874 ( 1.370 -0.108 -0.684) 1.535 1.898 ( -0.558 1.844 0.705) 2.052 2.002 ( -0.090 -2.473 -0.058) 2.475 2.105 ( 2.340 1.264 0.506) 2.707 2.136 ( 0.626 -0.626 -0.818) 1.205 2.184 ( -0.794 -0.993 -0.277) 1.301 2.250 ( 0.295 -1.054 0.007) 1.094 2.267 ( 0.723 2.865 -0.046) 2.956 2.302 ( -4.093 0.019 0.662) 4.147 2.317 ( -1.199 4.195 -0.165) 4.366 2.538 ( 0.166 -0.494 0.206) 0.560 2.560 ( 2.189 -1.538 -0.594) 2.740 2.609 ( 5.974 -0.106 -2.353) 6.421 2.710 ( -2.425 -3.031 2.010) 4.371 2.780 ( -4.297 3.681 1.677) 5.901 2.942 ( -0.084 -0.461 -0.819) 0.944 2.985 ( -0.789 0.495 -0.435) 1.028 3.128 ( -0.356 -0.339 -0.069) 0.497 3.208 ( 0.355 -0.066 -0.051) 0.364 4.049 ( -0.026 -0.348 0.194) 0.399 4.108 ( 0.355 0.215 0.266) 0.492 4.123 ( 0.012 0.090 -0.092) 0.130 4.199 ( 1.027 -0.577 -0.332) 1.224 4.408 ( -0.533 0.527 0.076) 0.753 4.467 ( -1.091 1.129 -0.533) 1.658 4.593 ( -0.132 -0.657 -0.519) 0.848 4.688 ( 0.026 -0.305 -0.855) 0.908 4.738 ( -0.470 -0.225 -0.715) 0.885 4.816 ( 0.076 -0.341 1.179) 1.229 4.921 ( -0.066 0.139 0.481) 0.505 4.965 ( -0.189 -0.184 -0.100) 0.283 5.045 ( -0.957 0.241 -0.401) 1.065 5.144 ( -2.361 -0.552 1.119) 2.670 5.346 ( 1.207 -8.928 8.647) 12.488 5.442 ( 3.717 8.976 -5.571) 11.199 5.561 ( 4.862 -5.760 -2.646) 7.988 5.652 ( -2.482 4.632 3.069) 6.086 5.968 ( -1.583 -0.060 -1.699) 2.323 6.019 ( -2.280 3.358 -1.050) 4.193 6.427 ( 0.958 -0.687 -3.778) 3.957 6.817 ( -1.360 2.654 -0.316) 2.999 7.112 ( 0.181 4.665 10.424) 11.422 7.298 ( -9.220 -2.444 -4.276) 10.453 7.775 ( 1.850 0.514 -4.210) 4.628 7.923 ( -5.989 0.315 2.183) 6.383 8.214 ( 1.860 1.952 -0.228) 2.706 8.286 ( 0.852 -2.522 -0.210) 2.670 8.647 ( 3.947 -2.169 0.846) 4.583 8.884 ( 0.641 -0.098 -0.384) 0.753 ======================= Grid point 180 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 6.831 0.000 -12.716) 14.435 0.753 ( 12.972 0.000 -6.527) 14.522 0.776 ( 10.288 0.000 6.608) 12.227 0.866 ( 8.175 0.000 8.644) 11.897 1.003 ( 16.376 0.000 -6.947) 17.788 1.142 ( 9.144 0.000 7.530) 11.846 1.621 ( -1.813 -0.000 0.126) 1.818 1.657 ( -2.098 -0.000 0.406) 2.137 1.802 ( -1.037 -0.000 1.638) 1.938 1.829 ( -2.031 -0.000 -1.687) 2.641 1.913 ( -1.911 -0.000 -0.248) 1.927 1.932 ( 0.874 0.000 0.421) 0.970 1.980 ( 0.598 0.000 -1.050) 1.209 2.035 ( 0.806 0.000 -0.278) 0.853 2.064 ( -3.661 -0.000 -1.189) 3.849 2.110 ( 0.063 0.000 2.536) 2.537 2.222 ( 0.032 0.000 -2.041) 2.042 2.250 ( 0.371 0.000 0.362) 0.519 2.252 ( 1.847 0.000 -0.732) 1.987 2.360 ( 1.118 0.000 -0.287) 1.154 2.535 ( -5.650 -0.000 0.454) 5.668 2.559 ( -5.242 -0.000 -0.235) 5.247 2.559 ( -2.069 -0.000 -0.530) 2.136 2.632 ( -2.086 -0.000 -0.232) 2.099 2.717 ( -3.343 -0.000 0.692) 3.414 2.829 ( 0.738 0.000 1.997) 2.129 3.048 ( -0.573 -0.000 -2.405) 2.473 3.049 ( -0.016 -0.000 1.076) 1.076 3.057 ( 0.322 0.000 -2.611) 2.631 3.182 ( 0.308 0.000 1.766) 1.793 4.048 ( -1.345 -0.000 1.276) 1.854 4.104 ( 0.361 0.000 -1.448) 1.492 4.106 ( 0.319 0.000 0.267) 0.416 4.161 ( 1.291 0.000 -0.191) 1.305 4.428 ( 0.333 0.000 1.749) 1.780 4.532 ( 2.609 0.000 -1.882) 3.217 4.611 ( -1.415 -0.000 -0.384) 1.467 4.615 ( -0.672 -0.000 -2.953) 3.028 4.774 ( -0.163 -0.000 0.289) 0.332 4.787 ( -1.734 -0.000 2.737) 3.239 4.942 ( -1.349 -0.000 2.589) 2.919 4.981 ( 0.524 0.000 0.085) 0.531 5.066 ( -0.920 -0.000 2.167) 2.355 5.166 ( -8.909 -0.000 -4.648) 10.048 5.282 ( 1.817 0.000 0.216) 1.830 5.314 ( 2.479 0.000 -3.448) 4.246 5.627 ( -5.722 -0.000 5.815) 8.158 5.834 ( 12.568 0.000 2.371) 12.790 5.862 ( -5.270 -0.000 -10.062) 11.359 6.336 ( -5.740 -0.000 6.267) 8.499 6.613 ( -9.721 -0.000 -5.394) 11.117 6.923 ( -3.041 -0.000 2.019) 3.650 7.249 ( 7.189 0.000 7.767) 10.583 7.522 ( 7.245 0.000 -0.230) 7.249 7.654 ( -4.029 -0.000 -3.945) 5.639 7.915 ( -1.547 -0.000 0.236) 1.565 8.006 ( 7.085 0.000 -3.046) 7.712 8.478 ( 10.999 0.000 -1.431) 11.092 8.551 ( -12.350 -0.000 1.788) 12.479 8.838 ( -7.058 -0.000 3.126) 7.719 ======================= Grid point 181 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 6.252 -0.892 -10.102) 11.914 0.911 ( 12.470 5.960 -0.821) 13.845 0.965 ( 9.108 0.374 2.550) 9.465 1.015 ( 7.157 -0.797 6.567) 9.746 1.305 ( 13.987 -5.622 -1.162) 15.120 1.347 ( 9.163 -6.859 1.650) 11.564 1.569 ( -2.796 2.613 1.148) 3.995 1.618 ( -3.642 -0.309 -0.085) 3.656 1.738 ( -2.477 3.116 -1.501) 4.254 1.803 ( -7.426 2.255 0.106) 7.762 1.842 ( -2.771 -5.010 0.692) 5.767 1.864 ( -5.935 -0.627 -0.723) 6.011 1.978 ( -0.209 3.049 -1.796) 3.544 2.007 ( -0.824 1.185 -0.063) 1.445 2.095 ( 3.511 0.214 0.811) 3.610 2.118 ( 0.371 -0.575 0.639) 0.936 2.213 ( -2.977 0.876 -1.243) 3.343 2.242 ( -0.044 0.403 -0.178) 0.443 2.267 ( 0.933 0.334 0.277) 1.029 2.399 ( 3.125 -2.482 -1.259) 4.185 2.473 ( -1.761 2.109 0.170) 2.753 2.480 ( -3.083 1.070 0.671) 3.332 2.545 ( 1.710 0.638 -0.794) 1.991 2.586 ( -1.555 2.538 -0.553) 3.028 2.671 ( -2.883 -1.772 1.628) 3.755 2.858 ( 1.421 -0.554 2.059) 2.562 2.990 ( -2.714 1.967 -2.688) 4.297 3.030 ( -1.686 0.455 -0.570) 1.837 3.089 ( 0.594 -1.864 0.442) 2.006 3.191 ( 0.147 -0.434 -0.110) 0.471 4.039 ( -0.072 -0.028 0.784) 0.788 4.111 ( 0.525 -0.676 -1.217) 1.488 4.113 ( 0.664 0.407 0.069) 0.781 4.178 ( 1.110 0.534 0.223) 1.252 4.437 ( 0.171 0.547 1.926) 2.009 4.546 ( -0.145 0.984 -2.750) 2.925 4.582 ( -0.869 0.565 -1.242) 1.618 4.626 ( 0.404 -3.230 -2.656) 4.201 4.756 ( -0.639 1.039 -0.103) 1.225 4.785 ( -0.250 -1.677 1.751) 2.437 4.926 ( -0.913 0.207 2.094) 2.294 4.977 ( -0.932 0.397 0.029) 1.013 5.053 ( -2.588 -0.447 -0.498) 2.673 5.090 ( -0.351 -1.749 6.355) 6.600 5.278 ( -2.995 0.121 -1.047) 3.175 5.369 ( 3.885 -1.927 -3.073) 5.315 5.541 ( -1.672 1.503 3.262) 3.962 5.799 ( 0.047 2.601 -7.493) 7.931 5.969 ( 3.890 0.739 -0.861) 4.052 6.257 ( -4.789 1.868 6.218) 8.068 6.460 ( -2.966 5.646 -4.639) 7.886 6.904 ( -3.450 -4.205 1.325) 5.598 7.230 ( -5.007 8.236 11.206) 14.781 7.484 ( -13.769 -1.188 4.297) 14.473 7.685 ( 3.855 -3.811 -13.391) 14.447 7.921 ( -2.396 -11.872 -1.270) 12.178 8.135 ( 7.586 -0.149 -4.865) 9.014 8.275 ( -11.936 1.603 5.203) 13.119 8.655 ( 9.752 9.790 0.304) 13.822 8.816 ( 2.368 -3.708 1.857) 4.776 ======================= Grid point 182 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 5.943 -0.675 -4.611) 7.552 1.030 ( 8.869 7.380 0.748) 11.563 1.094 ( 5.673 -0.835 2.438) 6.231 1.132 ( 6.377 3.227 1.366) 7.277 1.462 ( -2.043 2.604 0.348) 3.328 1.499 ( 3.495 -6.333 0.670) 7.264 1.527 ( -3.820 4.193 -0.274) 5.679 1.564 ( -0.467 -3.919 0.651) 4.001 1.652 ( -3.574 0.595 -0.480) 3.655 1.713 ( -0.516 -4.071 -1.052) 4.236 1.762 ( -6.638 -3.254 -0.500) 7.410 1.883 ( -1.631 -6.937 -0.097) 7.127 1.933 ( 0.089 3.975 -0.133) 3.978 1.974 ( 0.076 3.499 0.077) 3.501 2.111 ( -2.968 -0.525 -0.527) 3.060 2.145 ( -0.443 0.144 0.088) 0.474 2.152 ( 1.294 -1.030 0.671) 1.785 2.233 ( -2.654 -1.718 0.821) 3.266 2.293 ( 4.578 3.518 -0.830) 5.833 2.398 ( -0.637 6.195 0.153) 6.230 2.430 ( -0.784 3.829 -0.244) 3.916 2.500 ( 3.781 -2.805 -1.074) 4.829 2.549 ( 0.027 0.885 -0.380) 0.963 2.610 ( 5.868 0.076 -1.234) 5.997 2.656 ( -2.549 -2.779 2.415) 4.478 2.862 ( -1.874 4.359 2.328) 5.286 2.936 ( 0.426 -0.022 -2.619) 2.654 2.993 ( -1.877 0.143 -0.652) 1.992 3.107 ( -0.348 -1.491 0.485) 1.606 3.195 ( -0.336 -1.076 -0.715) 1.335 4.047 ( 0.756 0.114 0.220) 0.795 4.119 ( 0.627 0.673 -0.522) 1.058 4.122 ( 0.300 -0.402 -0.635) 0.809 4.194 ( 1.187 0.093 0.560) 1.316 4.429 ( -0.539 1.448 1.620) 2.239 4.505 ( -1.141 2.511 -1.900) 3.349 4.572 ( -0.015 -1.010 -1.289) 1.637 4.658 ( 0.500 -2.745 -2.450) 3.714 4.744 ( 0.127 0.844 -0.027) 0.854 4.811 ( 1.040 -0.387 1.826) 2.137 4.923 ( -0.473 -0.051 1.616) 1.685 4.956 ( -0.965 -0.450 0.269) 1.098 5.051 ( 0.060 0.314 2.205) 2.228 5.113 ( -0.970 -2.605 2.406) 3.677 5.222 ( -2.872 -3.210 3.348) 5.456 5.457 ( 3.738 -4.564 -3.161) 6.693 5.576 ( 6.249 4.530 -2.368) 8.073 5.741 ( -1.443 3.590 -1.580) 4.179 5.967 ( -2.036 0.015 0.506) 2.098 6.164 ( -2.019 9.197 2.078) 9.642 6.398 ( 0.285 0.136 -3.722) 3.735 6.855 ( -5.608 0.889 -0.531) 5.703 7.082 ( -14.592 -5.596 10.867) 19.035 7.259 ( -10.500 -2.735 -0.249) 10.853 7.713 ( -0.252 -2.581 -8.671) 9.050 7.952 ( -2.227 -2.106 0.454) 3.099 8.140 ( -2.210 -2.942 -0.829) 3.772 8.274 ( 4.867 -1.404 -3.457) 6.132 8.718 ( 8.087 7.893 3.447) 11.814 8.902 ( 3.886 0.531 1.507) 4.201 ======================= Grid point 183 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 2.148 2.599 -0.946) 3.502 1.049 ( 2.560 8.401 0.279) 8.787 1.141 ( -0.537 3.408 0.779) 3.537 1.162 ( 0.096 3.109 -0.166) 3.115 1.407 ( 0.051 1.727 -0.507) 1.800 1.447 ( -1.005 2.442 0.145) 2.645 1.507 ( -0.667 -0.814 0.252) 1.082 1.573 ( -1.512 -4.986 0.436) 5.229 1.690 ( 0.380 -4.932 -0.009) 4.947 1.717 ( -2.771 -4.867 -0.195) 5.604 1.777 ( 1.039 -4.503 -0.005) 4.622 1.898 ( -1.614 -3.238 -0.414) 3.642 1.928 ( -0.056 3.013 0.804) 3.119 1.943 ( -0.342 -1.350 -0.688) 1.553 2.084 ( -0.834 -1.782 -0.363) 2.001 2.144 ( -2.161 -2.397 0.766) 3.317 2.177 ( 1.763 0.438 0.882) 2.020 2.213 ( -1.239 -0.908 0.886) 1.773 2.317 ( 2.547 5.366 -1.024) 6.028 2.330 ( -0.634 5.967 -0.206) 6.004 2.388 ( 2.577 4.784 -0.421) 5.450 2.540 ( 0.640 -0.559 0.030) 0.850 2.566 ( 0.201 -0.408 -2.403) 2.446 2.616 ( -4.633 0.244 4.665) 6.579 2.735 ( 7.173 -0.993 -1.577) 7.411 2.779 ( -0.864 4.184 -0.882) 4.362 2.949 ( 0.833 0.160 -0.680) 1.087 2.976 ( -0.021 -0.290 0.035) 0.293 3.117 ( 0.036 -1.284 0.620) 1.426 3.195 ( -0.881 -1.347 -0.608) 1.721 4.059 ( 0.946 0.564 -0.437) 1.184 4.114 ( -0.137 0.731 -1.008) 1.252 4.124 ( -0.044 0.073 -0.054) 0.101 4.209 ( 0.129 0.330 0.960) 1.024 4.414 ( 0.116 1.183 1.562) 1.963 4.469 ( 0.009 1.468 -0.909) 1.727 4.587 ( 0.636 -1.143 -0.452) 1.384 4.675 ( -0.202 -1.597 -1.277) 2.054 4.745 ( 0.571 0.332 0.880) 1.101 4.828 ( 1.207 0.999 0.776) 1.748 4.918 ( -0.472 -0.229 0.742) 0.909 4.959 ( -0.134 -0.761 0.614) 0.987 5.046 ( -0.417 0.302 2.786) 2.833 5.138 ( 3.228 -0.882 -2.479) 4.165 5.274 ( -0.902 -7.393 4.919) 8.926 5.501 ( -2.032 3.113 -7.379) 8.263 5.553 ( -2.156 -0.755 -7.255) 7.606 5.711 ( 3.139 7.461 5.233) 9.639 5.967 ( 1.155 -0.311 3.532) 3.729 6.057 ( -0.062 7.148 1.358) 7.276 6.404 ( -2.045 -2.184 3.122) 4.325 6.757 ( -4.648 -3.364 0.545) 5.764 6.952 ( -8.609 -10.027 -8.528) 15.728 7.267 ( 2.131 -8.667 8.284) 12.178 7.698 ( -1.656 -2.621 -2.870) 4.225 7.957 ( 2.744 0.659 -1.485) 3.189 8.129 ( -3.781 -3.651 -1.102) 5.370 8.329 ( 2.777 0.993 -4.222) 5.150 8.758 ( 3.677 7.776 1.775) 8.782 8.931 ( 1.584 3.851 3.007) 5.136 ======================= Grid point 184 (80/95) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -3.632 8.059 0.821) 8.877 0.985 ( -0.930 7.508 1.673) 7.748 1.036 ( -5.636 5.787 0.047) 8.078 1.075 ( -4.574 4.049 -2.749) 6.698 1.440 ( 3.245 -1.734 -1.695) 4.051 1.466 ( 2.761 -2.591 0.203) 3.791 1.531 ( -5.500 1.400 0.634) 5.711 1.588 ( 4.386 -5.350 1.123) 7.009 1.734 ( 0.252 -0.271 0.051) 0.374 1.759 ( 0.465 -5.049 0.476) 5.093 1.792 ( -1.331 -1.025 -0.114) 1.684 1.875 ( -1.520 3.185 0.665) 3.591 1.894 ( -3.210 -3.522 -1.197) 4.914 1.979 ( 2.317 -1.767 -0.491) 2.955 2.080 ( -0.434 1.898 -0.238) 1.961 2.146 ( 0.618 -1.477 1.547) 2.226 2.190 ( -0.058 -0.785 0.722) 1.068 2.227 ( -0.281 -1.617 0.708) 1.788 2.283 ( 0.027 1.757 -0.558) 1.844 2.306 ( 2.446 0.853 0.466) 2.632 2.409 ( 2.727 1.943 -0.895) 3.466 2.502 ( -4.892 2.802 0.158) 5.640 2.540 ( -2.506 0.657 0.729) 2.691 2.571 ( 1.591 0.159 0.366) 1.640 2.734 ( -0.590 1.757 -1.294) 2.261 2.864 ( 6.957 0.329 -2.202) 7.304 2.965 ( 1.639 0.166 0.810) 1.835 2.991 ( 0.580 -1.208 0.624) 1.478 3.136 ( 0.629 -0.543 0.896) 1.222 3.186 ( -1.421 -1.104 -0.660) 1.916 4.061 ( 0.535 1.017 -1.137) 1.616 4.099 ( -0.604 0.325 -0.871) 1.109 4.123 ( -0.058 -0.028 0.507) 0.511 4.190 ( -1.490 1.397 1.196) 2.367 4.417 ( 0.517 0.493 0.842) 1.105 4.480 ( 1.391 -1.198 0.022) 1.836 4.605 ( 0.714 -0.128 0.488) 0.874 4.681 ( -0.318 -1.326 0.401) 1.421 4.757 ( 0.369 -0.235 1.174) 1.253 4.853 ( 4.143 2.718 -0.847) 5.027 4.916 ( -0.263 -0.153 -0.020) 0.305 4.969 ( 0.480 -0.679 0.642) 1.051 5.050 ( -1.065 -1.520 2.972) 3.504 5.193 ( 2.214 1.336 -5.825) 6.374 5.335 ( 3.910 -1.916 -2.272) 4.912 5.403 ( -1.301 3.325 -0.992) 3.706 5.465 ( -5.318 -1.907 -2.320) 6.107 5.715 ( 2.770 5.503 0.970) 6.237 5.934 ( -5.481 0.161 1.166) 5.606 6.088 ( 3.506 -0.212 5.557) 6.574 6.398 ( -3.011 -3.823 5.810) 7.578 6.734 ( -6.371 -7.803 -2.627) 10.411 6.997 ( 5.320 -9.097 -9.131) 13.943 7.508 ( 12.946 -8.549 7.332) 17.159 7.706 ( -0.710 -4.537 -0.414) 4.611 7.988 ( -4.786 -6.073 -2.659) 8.177 8.100 ( 1.308 -0.523 1.519) 2.072 8.325 ( 1.337 3.496 -5.454) 6.614 8.686 ( -0.975 11.883 0.605) 11.939 8.909 ( -0.494 4.284 2.885) 5.188 ======================= Grid point 185 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -4.434 8.092 4.289) 10.176 0.872 ( -6.042 7.726 2.045) 10.019 0.889 ( -2.972 7.387 1.966) 8.202 0.945 ( -4.756 3.599 -7.583) 9.647 1.341 ( -9.470 9.034 0.512) 13.098 1.491 ( -1.984 4.653 -1.454) 5.263 1.554 ( 1.311 -0.817 -0.661) 1.680 1.621 ( -0.082 3.460 1.520) 3.780 1.727 ( 2.641 -6.293 1.044) 6.904 1.790 ( -1.506 -3.661 1.115) 4.113 1.796 ( 0.081 0.805 0.612) 1.014 1.887 ( 0.567 -3.958 -1.246) 4.188 1.899 ( 1.437 -6.464 -1.801) 6.862 2.033 ( 1.623 -1.337 -0.882) 2.280 2.046 ( 0.003 3.974 0.317) 3.987 2.154 ( -0.894 3.048 0.754) 3.265 2.224 ( 0.776 -2.867 -0.008) 2.970 2.229 ( -0.347 -1.709 -0.066) 1.745 2.275 ( 1.357 1.852 2.397) 3.319 2.379 ( -3.714 -2.129 0.705) 4.339 2.404 ( 3.470 -4.443 -0.126) 5.638 2.450 ( 0.097 0.080 -0.687) 0.699 2.523 ( 1.549 -0.716 -0.001) 1.706 2.612 ( 2.754 -0.352 -0.695) 2.862 2.710 ( 0.867 1.450 -1.263) 2.109 2.934 ( 3.551 2.215 -0.911) 4.284 2.996 ( 0.302 -0.613 -0.035) 0.685 3.023 ( 2.152 -1.489 1.797) 3.175 3.139 ( -0.595 1.478 1.278) 2.043 3.174 ( -0.608 -1.319 -1.350) 1.983 4.056 ( 0.453 0.717 -0.936) 1.263 4.085 ( -0.609 -0.298 -1.036) 1.239 4.124 ( -0.120 0.064 0.683) 0.696 4.157 ( -1.325 0.977 1.345) 2.125 4.422 ( 0.392 0.242 -0.255) 0.526 4.506 ( -0.878 -1.550 0.139) 1.787 4.623 ( 1.477 0.315 1.471) 2.108 4.694 ( 0.338 -0.568 1.088) 1.273 4.769 ( 0.658 -0.184 1.136) 1.326 4.879 ( 2.900 3.485 -3.480) 5.715 4.915 ( 0.279 -0.842 -0.783) 1.184 4.981 ( 0.407 0.510 0.337) 0.734 5.092 ( 2.735 -0.595 1.726) 3.289 5.143 ( -0.866 1.373 -4.820) 5.086 5.335 ( -2.572 1.038 -0.527) 2.824 5.423 ( 7.054 3.419 -1.470) 7.976 5.559 ( 9.073 -6.715 1.635) 11.405 5.700 ( 0.465 3.038 -0.283) 3.086 5.811 ( -10.423 -1.541 1.215) 10.606 6.168 ( 2.410 -3.683 7.303) 8.527 6.401 ( -3.898 -6.710 -1.715) 7.947 6.696 ( -7.492 -10.849 -1.442) 13.263 7.143 ( 7.703 0.778 -4.322) 8.866 7.700 ( 2.337 5.054 -4.089) 6.908 7.805 ( -2.354 -3.858 9.789) 10.782 7.950 ( 1.078 -16.184 -1.147) 16.260 8.179 ( 0.058 -0.197 2.717) 2.725 8.320 ( 4.234 -2.282 -6.199) 7.846 8.545 ( 2.274 15.207 -1.136) 15.418 8.855 ( -2.031 3.056 1.745) 4.063 ======================= Grid point 186 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.767 7.773 7.733) 10.991 0.709 ( -3.566 8.674 -0.994) 9.430 0.768 ( -5.071 7.596 5.983) 10.918 0.804 ( -5.141 4.053 -10.810) 12.637 1.100 ( -5.532 12.594 3.110) 14.102 1.216 ( -9.212 15.736 -2.795) 18.447 1.614 ( 3.057 -1.704 -1.343) 3.748 1.703 ( 0.123 -5.009 2.303) 5.515 1.715 ( 0.199 1.335 -0.459) 1.426 1.792 ( -1.726 -2.729 0.720) 3.308 1.867 ( 1.851 -2.717 -1.300) 3.535 1.958 ( 1.473 -2.538 0.636) 3.003 1.973 ( 1.214 -4.530 -0.726) 4.745 1.995 ( -2.633 -1.206 -0.084) 2.897 2.045 ( 1.092 2.436 -1.781) 3.209 2.104 ( -1.575 2.094 0.982) 2.798 2.218 ( -0.145 -0.115 -1.405) 1.417 2.241 ( -0.593 0.440 1.741) 1.891 2.305 ( 1.114 -0.022 1.731) 2.058 2.345 ( -1.323 -0.390 -0.929) 1.663 2.479 ( 2.128 -4.157 -0.076) 4.671 2.514 ( 1.565 -5.940 0.428) 6.158 2.587 ( 2.757 -3.465 1.263) 4.605 2.650 ( 0.670 -2.895 -2.778) 4.068 2.753 ( 5.889 1.849 0.106) 6.174 2.922 ( -1.935 2.827 -0.241) 3.435 3.006 ( 1.143 0.193 0.171) 1.172 3.064 ( -0.397 -0.143 0.442) 0.612 3.115 ( 0.605 1.591 2.563) 3.077 3.172 ( -0.591 -0.346 -2.209) 2.313 4.062 ( 0.815 -0.213 -0.409) 0.937 4.080 ( -0.295 -0.844 -1.073) 1.397 4.121 ( -0.014 0.445 0.380) 0.586 4.138 ( -0.974 0.167 1.193) 1.549 4.427 ( 0.883 0.171 -1.244) 1.535 4.483 ( -2.682 -0.532 0.875) 2.871 4.649 ( 1.513 0.783 1.757) 2.447 4.691 ( -0.584 1.168 -0.193) 1.319 4.792 ( 1.739 0.772 1.334) 2.324 4.874 ( 0.778 3.293 -4.561) 5.679 4.932 ( 0.800 -0.939 -1.362) 1.838 4.973 ( -1.556 0.361 0.414) 1.651 5.099 ( 5.142 -0.257 -1.129) 5.271 5.198 ( 2.827 -1.202 0.592) 3.129 5.286 ( -2.358 1.808 0.589) 3.029 5.515 ( 7.568 5.951 0.411) 9.637 5.565 ( -13.053 -0.894 -4.226) 13.749 5.672 ( -1.245 2.906 -0.291) 3.175 5.878 ( 13.195 -9.809 7.198) 17.949 6.286 ( 0.520 -6.342 1.743) 6.598 6.424 ( -0.180 -14.348 -0.321) 14.353 6.692 ( -6.648 -12.706 -0.662) 14.356 7.200 ( 5.474 5.324 -3.559) 8.424 7.526 ( -12.591 6.812 1.322) 14.376 7.808 ( 2.722 0.534 1.779) 3.295 8.081 ( -5.961 5.679 -2.420) 8.581 8.149 ( 3.563 -0.099 7.915) 8.681 8.304 ( -2.459 7.944 -5.370) 9.899 8.637 ( 12.426 -5.441 -3.024) 13.898 8.827 ( -0.902 -3.261 0.894) 3.499 ======================= Grid point 187 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -2.457 8.983 -8.229) 12.428 0.583 ( 2.457 8.983 8.229) 12.428 0.638 ( 0.542 8.478 -11.072) 13.956 0.638 ( -0.542 8.478 11.072) 13.956 0.991 ( -0.621 7.845 -13.353) 15.499 0.991 ( 0.621 7.845 13.353) 15.499 1.662 ( -0.472 0.189 -1.798) 1.869 1.662 ( 0.472 0.189 1.798) 1.869 1.793 ( -0.645 -3.649 -1.067) 3.856 1.793 ( 0.645 -3.649 1.067) 3.856 1.898 ( 3.052 1.566 -2.086) 4.015 1.898 ( -3.052 1.566 2.086) 4.015 1.999 ( -1.745 2.157 -1.028) 2.958 1.999 ( 1.745 2.157 1.028) 2.958 2.084 ( -2.266 -4.036 -0.126) 4.630 2.084 ( 2.266 -4.036 0.126) 4.630 2.227 ( 1.289 -0.183 -1.992) 2.379 2.227 ( -1.289 -0.183 1.992) 2.379 2.319 ( -1.291 1.279 -1.107) 2.128 2.319 ( 1.291 1.279 1.107) 2.128 2.568 ( -0.284 -5.842 -0.086) 5.849 2.568 ( 0.284 -5.842 0.086) 5.849 2.665 ( -1.831 -3.147 -2.541) 4.440 2.665 ( 1.831 -3.147 2.541) 4.440 2.831 ( -5.012 3.032 -0.462) 5.876 2.831 ( 5.012 3.032 0.462) 5.876 3.024 ( -1.869 1.406 -0.064) 2.340 3.024 ( 1.869 1.406 0.064) 2.340 3.145 ( -0.899 0.255 -4.896) 4.985 3.145 ( 0.899 0.255 4.896) 4.985 4.081 ( 0.055 -0.914 -0.769) 1.196 4.081 ( -0.055 -0.914 0.769) 1.196 4.123 ( 0.408 0.345 -0.509) 0.738 4.123 ( -0.408 0.345 0.509) 0.738 4.447 ( 1.621 0.064 -1.778) 2.407 4.447 ( -1.621 0.064 1.778) 2.407 4.664 ( -0.431 1.362 -1.593) 2.139 4.664 ( 0.431 1.362 1.593) 2.139 4.812 ( -1.659 2.888 -3.212) 4.628 4.812 ( 1.659 2.888 3.212) 4.628 4.952 ( 1.145 -0.589 -1.396) 1.899 4.952 ( -1.145 -0.589 1.396) 1.899 5.207 ( -3.328 0.951 -1.731) 3.870 5.207 ( 3.328 0.951 1.731) 3.870 5.314 ( -12.040 -0.124 -0.471) 12.049 5.314 ( 12.040 -0.124 0.471) 12.049 5.589 ( -3.700 3.970 -2.873) 6.140 5.589 ( 3.700 3.970 2.873) 6.140 6.237 ( -12.738 -10.185 -6.501) 17.558 6.237 ( 12.738 -10.185 6.501) 17.558 6.699 ( -5.521 -16.937 -6.393) 18.926 6.699 ( 5.521 -16.937 6.393) 18.926 7.258 ( -4.502 7.038 0.904) 8.404 7.258 ( 4.502 7.038 -0.904) 8.404 7.894 ( -5.527 3.562 -5.863) 8.809 7.894 ( 5.527 3.562 5.863) 8.809 8.124 ( -3.696 15.040 -7.532) 17.222 8.124 ( 3.696 15.040 7.532) 17.222 8.861 ( 0.280 -8.817 -4.550) 9.925 8.861 ( -0.280 -8.817 4.550) 9.925 ======================= Grid point 191 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 6.918 0.000 -5.402) 8.777 1.086 ( 5.316 0.000 3.631) 6.438 1.147 ( 9.449 0.000 3.091) 9.942 1.168 ( 10.936 0.000 -0.995) 10.982 1.412 ( 2.716 0.000 0.808) 2.834 1.449 ( 5.244 0.000 -0.156) 5.246 1.549 ( -3.448 -0.000 -0.464) 3.479 1.555 ( -1.794 -0.000 1.373) 2.259 1.678 ( -6.488 -0.000 -1.914) 6.764 1.692 ( -8.108 -0.000 1.813) 8.308 1.749 ( -4.397 -0.000 -2.749) 5.186 1.765 ( -2.233 -0.000 -0.404) 2.269 1.979 ( -0.865 -0.000 -0.151) 0.878 2.012 ( -0.581 -0.000 0.485) 0.757 2.096 ( -1.604 -0.000 -0.535) 1.691 2.146 ( -0.669 -0.000 0.180) 0.692 2.149 ( -1.811 -0.000 0.782) 1.973 2.212 ( -1.209 -0.000 0.909) 1.513 2.351 ( 5.889 0.000 -0.444) 5.906 2.421 ( 2.459 0.000 -2.552) 3.544 2.469 ( 0.341 0.000 -0.063) 0.346 2.490 ( 0.989 0.000 0.613) 1.164 2.581 ( -0.529 -0.000 -0.950) 1.088 2.608 ( -2.173 -0.000 3.582) 4.189 2.611 ( 5.246 0.000 -1.065) 5.353 2.909 ( 3.247 0.000 2.005) 3.816 2.952 ( -2.212 -0.000 -4.090) 4.649 2.981 ( -3.704 -0.000 0.680) 3.766 3.091 ( 0.296 0.000 0.424) 0.517 3.180 ( -0.899 -0.000 -1.026) 1.365 4.050 ( 0.985 0.000 0.666) 1.189 4.115 ( 0.783 0.000 -1.465) 1.661 4.126 ( 0.761 0.000 -0.899) 1.178 4.197 ( 0.678 0.000 1.285) 1.453 4.447 ( -0.031 -0.000 2.388) 2.388 4.529 ( -0.791 -0.000 -2.634) 2.750 4.588 ( -0.234 -0.000 -0.482) 0.535 4.600 ( 0.750 0.000 -4.203) 4.269 4.759 ( -0.762 -0.000 0.393) 0.857 4.801 ( 3.393 0.000 1.417) 3.677 4.922 ( -0.731 -0.000 2.235) 2.351 4.952 ( -2.269 -0.000 1.452) 2.693 5.057 ( 2.913 0.000 3.058) 4.223 5.077 ( -1.797 -0.000 3.630) 4.051 5.201 ( -5.085 -0.000 -0.515) 5.111 5.407 ( 3.204 0.000 -3.058) 4.429 5.618 ( 6.647 0.000 -1.100) 6.737 5.776 ( -0.710 -0.000 -3.432) 3.505 5.967 ( -2.833 -0.000 1.641) 3.274 6.235 ( -1.037 -0.000 2.147) 2.384 6.468 ( 0.115 0.000 -2.411) 2.414 6.838 ( -1.861 -0.000 1.675) 2.504 7.017 ( -22.138 -0.000 9.423) 24.061 7.208 ( -19.322 -0.000 -2.902) 19.538 7.714 ( 2.660 0.000 -5.994) 6.558 7.875 ( 2.882 0.000 -4.426) 5.282 8.147 ( -5.347 -0.000 5.670) 7.793 8.248 ( 7.280 0.000 -6.827) 9.980 8.838 ( 4.296 0.000 4.330) 6.100 8.880 ( 7.994 0.000 0.790) 8.033 ======================= Grid point 192 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 5.021 0.471 -2.106) 5.466 1.159 ( 2.096 0.060 2.438) 3.216 1.233 ( 3.957 8.496 1.144) 9.442 1.291 ( 7.240 7.186 -1.215) 10.273 1.442 ( -3.316 -2.978 -0.468) 4.481 1.465 ( -0.776 0.263 0.702) 1.079 1.494 ( -1.524 -0.523 -0.010) 1.611 1.530 ( -1.862 1.987 0.706) 2.813 1.594 ( -2.244 -3.539 0.899) 4.286 1.624 ( -3.493 -4.497 0.185) 5.697 1.681 ( -0.395 -1.725 -2.040) 2.701 1.764 ( -3.564 -7.291 -1.837) 8.321 1.967 ( 0.335 1.562 0.691) 1.741 1.991 ( -1.002 2.005 0.578) 2.314 2.061 ( -1.916 -0.420 -0.379) 1.998 2.090 ( -2.911 -2.339 0.509) 3.769 2.185 ( 1.575 0.234 1.508) 2.193 2.214 ( 0.571 0.186 1.200) 1.341 2.406 ( 3.340 3.724 -2.103) 5.427 2.447 ( 0.425 1.620 -1.233) 2.080 2.449 ( 0.016 3.863 -0.035) 3.863 2.512 ( 0.624 -1.926 -0.089) 2.027 2.572 ( 1.105 1.005 -1.697) 2.261 2.604 ( -1.467 -1.413 5.556) 5.917 2.729 ( 8.115 0.049 -1.529) 8.258 2.867 ( -2.604 4.656 -0.499) 5.358 2.940 ( -1.705 -1.687 -1.476) 2.817 2.971 ( 1.978 -0.277 -0.204) 2.008 3.096 ( 0.120 -0.386 0.839) 0.931 3.162 ( -1.575 -1.624 -1.191) 2.557 4.069 ( 1.239 0.403 0.209) 1.319 4.123 ( 0.292 -0.143 -0.679) 0.753 4.129 ( 0.234 0.553 -2.002) 2.090 4.211 ( 0.339 -0.093 1.880) 1.913 4.445 ( 0.001 1.559 2.099) 2.615 4.513 ( 0.061 1.930 -1.334) 2.347 4.568 ( 0.361 0.406 -1.279) 1.390 4.626 ( 0.040 -3.412 -2.988) 4.535 4.748 ( -0.418 0.056 0.651) 0.775 4.852 ( 1.580 1.033 3.490) 3.967 4.913 ( -0.922 -0.183 1.507) 1.776 4.941 ( 0.264 -0.778 0.692) 1.074 5.052 ( -2.271 0.238 2.046) 3.066 5.130 ( 4.218 0.586 -0.179) 4.263 5.173 ( 1.617 -3.378 1.766) 4.141 5.447 ( 0.381 -2.766 -2.963) 4.071 5.618 ( -2.262 2.420 -9.668) 10.220 5.838 ( 6.898 5.061 6.639) 10.829 5.948 ( -0.106 -1.688 5.168) 5.438 6.185 ( -4.884 2.130 1.280) 5.480 6.438 ( 1.516 7.282 -1.511) 7.590 6.715 ( -11.256 0.054 4.643) 12.176 6.793 ( -13.580 -5.203 -8.276) 16.733 7.001 ( -5.762 -14.812 3.769) 16.334 7.711 ( 0.093 2.083 -1.600) 2.628 7.910 ( -0.359 -3.568 -4.222) 5.539 8.117 ( -0.173 0.951 4.577) 4.678 8.335 ( 5.467 -0.071 -7.832) 9.552 8.893 ( 4.249 5.110 1.737) 6.869 8.981 ( 3.108 0.743 3.778) 4.948 ======================= Grid point 193 (86/95) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.710 3.725 -0.834) 3.882 1.143 ( -2.373 4.531 -0.503) 5.140 1.163 ( -1.537 7.370 0.160) 7.531 1.220 ( -0.774 13.490 0.530) 13.523 1.432 ( -0.091 0.219 -1.570) 1.587 1.443 ( 0.601 -0.640 -0.581) 1.053 1.509 ( 1.468 -0.718 1.637) 2.313 1.522 ( 0.736 -2.072 1.447) 2.632 1.637 ( 0.630 -6.671 -0.993) 6.774 1.651 ( 0.887 -4.716 0.714) 4.852 1.759 ( 2.009 -5.330 -0.044) 5.696 1.771 ( -2.737 -8.255 -2.475) 9.042 1.934 ( -2.077 3.025 1.279) 3.886 1.978 ( 1.788 1.015 0.437) 2.102 2.061 ( -0.021 -1.979 -0.240) 1.993 2.093 ( -0.404 -3.534 0.837) 3.654 2.207 ( 0.849 0.127 1.739) 1.940 2.215 ( -0.143 1.622 0.738) 1.788 2.360 ( -2.661 5.940 -0.386) 6.521 2.393 ( 0.700 4.917 -0.127) 4.968 2.444 ( -0.184 1.574 0.308) 1.614 2.528 ( -2.282 -0.597 -2.352) 3.331 2.550 ( -0.642 0.367 -1.799) 1.946 2.599 ( -0.216 2.278 4.603) 5.140 2.779 ( -0.660 3.241 -0.687) 3.378 2.872 ( 7.158 0.356 -1.999) 7.440 2.945 ( 0.036 -2.422 0.167) 2.428 2.985 ( 0.470 0.507 -0.600) 0.916 3.115 ( 0.810 -1.117 0.874) 1.633 3.155 ( -1.310 -2.137 -0.642) 2.587 4.079 ( 0.730 0.799 -1.372) 1.747 4.112 ( -0.597 0.904 -0.781) 1.336 4.123 ( -0.036 0.033 0.101) 0.113 4.211 ( -1.060 0.464 1.697) 2.053 4.439 ( 0.506 1.639 2.039) 2.665 4.487 ( 0.313 2.121 -1.473) 2.602 4.588 ( 1.025 -1.343 0.250) 1.708 4.641 ( -0.691 -2.796 -1.466) 3.232 4.750 ( 0.137 -0.310 1.136) 1.185 4.891 ( 2.109 0.574 1.375) 2.582 4.919 ( 2.848 -0.576 1.215) 3.150 4.940 ( -1.512 -0.677 0.951) 1.910 5.025 ( -1.555 -0.628 1.617) 2.329 5.206 ( 4.400 0.483 -4.111) 6.042 5.272 ( 6.223 -2.923 -0.863) 6.929 5.425 ( -4.704 -1.834 -2.498) 5.633 5.513 ( -1.907 5.743 -3.627) 7.055 5.840 ( -1.121 4.993 5.893) 7.805 5.973 ( -1.472 4.134 1.451) 4.622 6.118 ( -0.212 1.663 4.696) 4.986 6.336 ( -7.062 0.148 1.067) 7.144 6.611 ( -7.941 -4.292 -1.498) 9.150 6.773 ( 7.956 -12.693 -9.289) 17.627 7.199 ( 5.346 -19.202 6.108) 20.847 7.684 ( -1.339 0.625 0.964) 1.764 7.889 ( -5.553 -3.996 -3.458) 7.665 8.135 ( 2.466 2.432 5.595) 6.580 8.380 ( 4.346 2.142 -9.399) 10.575 8.876 ( 0.844 7.686 -0.930) 7.788 8.992 ( -0.557 3.426 4.985) 6.074 ======================= Grid point 194 (87/95) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -2.878 8.866 1.394) 9.425 1.026 ( -3.380 7.346 -3.443) 8.788 1.043 ( -3.327 8.096 -1.043) 8.815 1.091 ( -0.510 12.378 1.621) 12.495 1.432 ( -0.671 -0.725 -1.152) 1.517 1.489 ( 2.200 0.151 -0.629) 2.293 1.528 ( 2.214 0.446 1.935) 2.974 1.596 ( 2.807 -5.716 1.431) 6.527 1.702 ( -0.428 -5.120 -0.404) 5.153 1.738 ( 2.397 -6.761 -0.827) 7.221 1.786 ( -0.557 1.276 -0.647) 1.535 1.791 ( -1.314 -0.850 -0.744) 1.733 1.879 ( -1.986 2.431 1.526) 3.490 2.011 ( 1.607 -0.797 0.120) 1.798 2.083 ( 0.528 -1.389 -0.143) 1.493 2.141 ( 1.445 -3.399 0.812) 3.781 2.179 ( -1.362 0.913 -0.237) 1.657 2.226 ( -0.012 0.138 1.499) 1.505 2.289 ( -0.053 0.219 -1.130) 1.152 2.355 ( -1.662 3.158 3.928) 5.307 2.407 ( -1.469 2.034 -1.380) 2.864 2.456 ( -2.525 0.285 -1.636) 3.022 2.541 ( 0.074 0.935 0.084) 0.941 2.610 ( 1.943 1.254 -0.007) 2.312 2.741 ( -0.087 1.643 -0.764) 1.814 2.960 ( 2.837 0.026 -0.353) 2.859 2.979 ( 0.709 -1.697 0.296) 1.863 2.992 ( 1.699 -0.961 -0.251) 1.968 3.139 ( 0.055 -1.996 -1.314) 2.390 3.154 ( -0.098 -0.048 1.410) 1.414 4.071 ( 0.230 0.783 -2.535) 2.663 4.091 ( -0.862 0.852 0.382) 1.271 4.125 ( 0.061 0.072 0.752) 0.758 4.180 ( -1.858 1.135 1.441) 2.611 4.438 ( 0.368 1.387 1.194) 1.866 4.481 ( -0.153 -0.504 -1.135) 1.252 4.619 ( 1.301 -0.750 1.198) 1.921 4.659 ( -0.043 -2.751 0.330) 2.771 4.766 ( 1.083 -0.071 1.768) 2.074 4.900 ( 0.139 -0.583 -0.113) 0.610 4.918 ( -1.072 -0.067 -1.667) 1.983 4.992 ( 1.154 0.505 -0.373) 1.314 5.067 ( 7.134 -0.800 2.484) 7.596 5.187 ( -2.923 2.310 -6.510) 7.500 5.336 ( -1.223 -0.760 -5.610) 5.791 5.441 ( 3.736 -4.221 5.060) 7.575 5.494 ( 8.525 3.316 -1.962) 9.355 5.785 ( -7.633 -0.459 4.566) 8.906 5.830 ( -2.426 8.944 -1.205) 9.345 6.143 ( 1.561 0.582 7.425) 7.609 6.263 ( -7.242 -7.231 -4.015) 10.993 6.547 ( -5.037 -4.110 0.798) 6.550 7.069 ( 13.842 -9.186 -6.216) 17.738 7.530 ( 6.946 -22.069 3.893) 23.462 7.682 ( -0.583 -4.645 4.339) 6.383 7.777 ( -9.858 -2.208 -3.396) 10.658 8.185 ( 3.837 2.312 7.709) 8.916 8.380 ( 3.241 5.151 -10.972) 12.547 8.786 ( -0.059 9.646 -3.123) 10.139 8.935 ( -3.227 4.491 4.958) 7.427 ======================= Grid point 195 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.828 9.313 6.112) 11.170 0.886 ( -3.224 6.834 -6.500) 9.967 0.912 ( -1.333 10.307 -1.299) 10.474 0.960 ( -2.103 11.904 0.889) 12.121 1.351 ( -0.661 12.038 0.816) 12.084 1.501 ( -4.253 8.946 -0.816) 9.939 1.563 ( 1.867 -2.655 0.198) 3.252 1.649 ( -1.532 1.505 0.864) 2.315 1.697 ( 0.084 -3.266 1.077) 3.440 1.760 ( 2.320 -3.567 -0.033) 4.255 1.795 ( 0.149 -2.143 -0.637) 2.241 1.846 ( 1.995 -4.414 -1.215) 4.994 1.879 ( 1.287 -4.378 0.219) 4.568 2.006 ( -3.574 0.300 0.054) 3.587 2.097 ( 1.993 1.988 -0.347) 2.837 2.162 ( -1.067 1.865 0.038) 2.149 2.182 ( -0.152 -3.578 -0.386) 3.602 2.223 ( -0.546 -1.895 0.523) 2.041 2.308 ( -0.258 1.079 2.767) 2.981 2.311 ( -1.451 -1.833 -0.645) 2.426 2.424 ( 2.557 -3.984 -0.969) 4.832 2.444 ( 1.084 0.137 0.891) 1.410 2.546 ( 0.956 -0.358 -0.223) 1.045 2.606 ( -1.427 -0.989 -1.870) 2.552 2.773 ( 4.924 0.312 0.484) 4.957 2.944 ( -3.558 -0.402 -0.019) 3.580 3.013 ( 2.228 -0.021 0.094) 2.230 3.043 ( 1.026 -1.812 0.621) 2.173 3.141 ( 0.239 0.358 -1.406) 1.470 3.161 ( -0.136 -0.161 0.921) 0.945 4.064 ( 0.340 0.388 -1.298) 1.397 4.073 ( -0.525 0.287 -0.128) 0.612 4.126 ( 0.113 0.237 0.363) 0.448 4.148 ( -1.336 0.750 1.198) 1.945 4.435 ( 0.480 0.759 -0.020) 0.899 4.469 ( -1.643 -0.646 -0.178) 1.775 4.652 ( 1.394 -0.501 1.433) 2.061 4.684 ( -0.297 -1.796 0.398) 1.863 4.802 ( 2.730 0.268 2.402) 3.646 4.901 ( -0.490 -0.324 -1.443) 1.558 4.918 ( 1.004 -0.411 -1.604) 1.936 4.986 ( -1.802 0.608 -1.993) 2.754 5.106 ( 2.052 0.791 -1.723) 2.793 5.188 ( 4.208 0.160 -0.321) 4.223 5.312 ( -0.376 1.050 -2.181) 2.449 5.528 ( -11.547 -2.716 -6.179) 13.375 5.602 ( 10.196 -0.745 4.865) 11.322 5.689 ( 4.021 0.065 1.548) 4.309 5.803 ( 4.050 4.196 4.798) 7.552 6.165 ( -9.170 -7.235 -6.604) 13.418 6.236 ( 4.384 -3.694 8.662) 10.387 6.511 ( -5.835 -6.018 -0.666) 8.408 7.264 ( 6.878 0.611 -4.536) 8.262 7.561 ( -14.244 -2.175 0.734) 14.428 7.778 ( 6.570 -7.835 0.712) 10.249 7.898 ( 4.075 -17.756 4.983) 18.887 8.237 ( 2.730 3.831 2.463) 5.310 8.326 ( -0.555 3.600 -5.597) 6.678 8.714 ( 4.428 8.308 -5.573) 10.941 8.844 ( -4.382 3.719 4.673) 7.407 ======================= Grid point 196 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -2.870 6.721 -10.037) 12.416 0.753 ( 2.870 6.721 10.037) 12.416 0.807 ( 0.989 11.615 -5.870) 13.052 0.807 ( -0.989 11.615 5.870) 13.052 1.246 ( -3.560 16.576 -3.289) 17.270 1.246 ( 3.560 16.576 3.289) 17.270 1.642 ( 2.966 -2.992 -1.337) 4.420 1.642 ( -2.966 -2.992 1.337) 4.420 1.739 ( -1.408 -1.215 -1.296) 2.267 1.739 ( 1.408 -1.215 1.296) 2.267 1.907 ( -0.961 -3.466 -2.396) 4.322 1.907 ( 0.961 -3.466 2.396) 4.322 1.934 ( -0.800 -3.746 -0.516) 3.865 1.934 ( 0.800 -3.746 0.516) 3.865 2.103 ( 0.875 3.674 -1.080) 3.929 2.103 ( -0.875 3.674 1.080) 3.929 2.222 ( 1.585 -1.327 -1.309) 2.447 2.222 ( -1.585 -1.327 1.309) 2.447 2.315 ( -0.285 -1.530 -2.214) 2.707 2.315 ( 0.285 -1.530 2.214) 2.707 2.475 ( -0.799 -2.704 -0.926) 2.968 2.475 ( 0.799 -2.704 0.926) 2.968 2.596 ( -1.472 -3.692 -2.756) 4.836 2.596 ( 1.472 -3.692 2.756) 4.836 2.865 ( -5.315 0.576 -0.570) 5.376 2.865 ( 5.315 0.576 0.570) 5.376 3.045 ( -1.724 0.256 0.030) 1.743 3.045 ( 1.724 0.256 -0.030) 1.743 3.149 ( 0.280 0.275 -4.619) 4.636 3.149 ( -0.280 0.275 4.619) 4.636 4.067 ( -0.065 -0.294 -1.026) 1.070 4.067 ( 0.065 -0.294 1.026) 1.070 4.129 ( 0.625 0.361 -0.611) 0.946 4.129 ( -0.625 0.361 0.611) 0.946 4.446 ( 0.988 -0.057 -0.841) 1.298 4.446 ( -0.988 -0.057 0.841) 1.298 4.679 ( -0.537 -0.060 -1.654) 1.740 4.679 ( 0.537 -0.060 1.654) 1.740 4.856 ( -2.843 1.358 -4.738) 5.690 4.856 ( 2.843 1.358 4.738) 5.690 4.940 ( -0.604 -0.454 -0.167) 0.774 4.940 ( 0.604 -0.454 0.167) 0.774 5.211 ( -3.492 -0.906 -2.338) 4.299 5.211 ( 3.492 -0.906 2.338) 4.299 5.321 ( -7.991 1.082 -1.805) 8.264 5.321 ( 7.991 1.082 1.805) 8.264 5.684 ( 3.018 5.155 -3.125) 6.741 5.684 ( -3.018 5.155 3.125) 6.741 6.029 ( -12.981 -9.899 -9.038) 18.659 6.029 ( 12.981 -9.899 9.038) 18.659 6.448 ( -6.568 -8.882 -8.149) 13.727 6.448 ( 6.568 -8.882 8.149) 13.727 7.354 ( -1.926 2.694 -1.415) 3.601 7.354 ( 1.926 2.694 1.415) 3.601 7.956 ( -3.810 -0.736 -5.037) 6.359 7.956 ( 3.810 -0.736 5.037) 6.359 8.268 ( -2.057 0.521 -2.717) 3.447 8.268 ( 2.057 0.521 2.717) 3.447 8.753 ( 2.850 0.505 -10.999) 11.373 8.753 ( -2.850 0.505 10.999) 11.373 ======================= Grid point 202 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 2.536 0.000 -1.718) 3.063 1.173 ( -1.108 -0.000 1.223) 1.650 1.305 ( -3.091 -0.000 0.444) 3.123 1.342 ( -1.745 -0.000 -0.687) 1.875 1.440 ( 0.801 0.000 0.416) 0.903 1.491 ( 2.455 0.000 -1.278) 2.767 1.494 ( -3.262 -0.000 2.246) 3.960 1.502 ( 5.477 0.000 -1.350) 5.640 1.569 ( 1.372 0.000 1.310) 1.897 1.576 ( -0.022 -0.000 1.887) 1.887 1.646 ( -1.140 -0.000 -4.368) 4.514 1.681 ( 1.122 0.000 -1.092) 1.566 1.970 ( -1.261 -0.000 2.253) 2.582 2.001 ( 0.406 0.000 0.084) 0.415 2.037 ( -0.485 -0.000 -0.658) 0.817 2.045 ( -0.595 -0.000 0.845) 1.033 2.210 ( 0.750 0.000 2.107) 2.237 2.229 ( 0.209 0.000 0.628) 0.662 2.435 ( -0.670 -0.000 -0.455) 0.810 2.440 ( -2.734 -0.000 0.778) 2.843 2.482 ( -0.311 -0.000 -0.334) 0.456 2.495 ( 0.256 0.000 -0.727) 0.771 2.560 ( -2.130 -0.000 -3.975) 4.510 2.615 ( 0.663 0.000 5.261) 5.303 2.841 ( 2.312 0.000 -0.899) 2.481 2.881 ( 0.014 0.000 0.613) 0.613 2.890 ( 2.425 0.000 -2.029) 3.162 2.992 ( 0.306 0.000 -1.157) 1.197 3.113 ( 1.465 0.000 1.528) 2.117 3.118 ( -1.629 -0.000 -1.437) 2.173 4.088 ( 0.677 0.000 -0.725) 0.992 4.121 ( -0.451 -0.000 0.487) 0.663 4.126 ( -0.009 -0.000 -2.148) 2.148 4.212 ( -0.963 -0.000 2.008) 2.227 4.463 ( 0.310 0.000 2.171) 2.193 4.529 ( 0.060 0.000 -0.333) 0.338 4.577 ( 0.362 0.000 0.240) 0.434 4.590 ( 0.033 0.000 -3.806) 3.806 4.747 ( 0.255 0.000 1.362) 1.385 4.883 ( 0.774 0.000 3.879) 3.956 4.902 ( -0.642 -0.000 0.743) 0.982 4.952 ( 1.695 0.000 -0.647) 1.814 5.021 ( -0.983 -0.000 1.007) 1.407 5.219 ( 3.237 0.000 2.323) 3.985 5.235 ( 8.244 0.000 -7.495) 11.141 5.405 ( -3.023 -0.000 -0.191) 3.029 5.576 ( -1.256 -0.000 -4.417) 4.592 5.885 ( -7.673 -0.000 8.694) 11.596 6.040 ( 8.722 0.000 5.190) 10.149 6.100 ( -4.355 -0.000 5.357) 6.903 6.404 ( -20.206 -0.000 -14.836) 25.068 6.573 ( 4.974 0.000 2.827) 5.721 6.629 ( 2.921 0.000 -3.761) 4.762 6.953 ( 5.501 0.000 3.545) 6.544 7.694 ( -3.750 -0.000 3.587) 5.189 7.847 ( -3.778 -0.000 -5.274) 6.487 8.162 ( 2.425 0.000 8.288) 8.635 8.401 ( 5.826 0.000 -11.242) 12.661 8.958 ( 0.870 0.000 -3.189) 3.305 9.021 ( -0.726 -0.000 7.028) 7.065 ======================= Grid point 203 (91/95) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -0.433 3.290 -1.734) 3.745 1.127 ( -3.142 2.873 -0.529) 4.290 1.211 ( -1.486 7.800 0.308) 7.946 1.295 ( -2.892 4.895 -0.020) 5.686 1.428 ( 0.386 2.834 0.119) 2.862 1.470 ( 2.066 -1.072 -0.633) 2.412 1.516 ( -0.073 -2.695 1.005) 2.877 1.556 ( 0.465 -1.389 0.436) 1.528 1.609 ( 3.233 -1.675 -0.287) 3.653 1.632 ( 3.689 -1.981 -2.003) 4.642 1.719 ( 4.598 -2.848 -0.110) 5.409 1.756 ( 3.921 -5.704 0.083) 6.922 1.934 ( -2.096 2.726 2.478) 4.239 2.010 ( 0.966 0.436 0.080) 1.063 2.045 ( 0.700 -1.334 -0.400) 1.559 2.072 ( 1.289 -3.146 0.607) 3.454 2.217 ( -0.869 1.224 -0.513) 1.586 2.224 ( 0.133 0.068 1.885) 1.891 2.349 ( -4.566 4.436 -0.604) 6.395 2.399 ( -3.929 -0.020 2.250) 4.527 2.447 ( -3.450 1.637 -0.753) 3.892 2.475 ( -1.097 1.403 -0.930) 2.009 2.532 ( -0.139 -0.869 -0.041) 0.881 2.645 ( 2.217 0.804 1.449) 2.767 2.785 ( -2.508 3.147 -1.240) 4.211 2.912 ( -0.313 -3.537 0.807) 3.642 2.964 ( 3.884 -0.349 -0.890) 4.000 2.984 ( -0.396 -0.188 -1.186) 1.264 3.109 ( 0.624 -0.913 -1.783) 2.098 3.147 ( 1.278 -0.387 1.917) 2.336 4.084 ( 0.056 0.436 -3.109) 3.139 4.109 ( -0.978 0.694 1.652) 2.042 4.125 ( 0.195 -0.038 0.105) 0.225 4.189 ( -2.234 -0.103 1.359) 2.617 4.467 ( 0.182 1.244 1.893) 2.273 4.501 ( -0.756 2.128 -1.234) 2.573 4.598 ( 0.932 -1.619 0.440) 1.920 4.604 ( 0.566 -2.028 -0.308) 2.128 4.767 ( 1.507 0.171 2.453) 2.883 4.886 ( -1.249 -1.205 0.525) 1.813 4.900 ( -0.160 -0.465 -0.053) 0.495 4.997 ( 0.852 0.061 -0.824) 1.187 5.067 ( 8.528 0.293 -0.496) 8.548 5.219 ( -2.721 0.978 -4.244) 5.136 5.323 ( 3.357 -0.401 -9.313) 9.907 5.381 ( 0.220 -1.706 5.896) 6.142 5.548 ( 0.127 1.573 -2.019) 2.563 5.786 ( -6.855 0.573 10.876) 12.869 6.007 ( -4.247 7.994 -0.609) 9.072 6.130 ( -7.213 -4.792 -6.553) 10.860 6.175 ( 3.811 0.438 5.055) 6.345 6.556 ( -1.801 3.719 1.592) 4.428 6.860 ( 16.288 -8.750 -7.248) 19.859 7.153 ( 7.912 -14.240 2.255) 16.446 7.624 ( -6.796 -1.361 6.248) 9.332 7.740 ( -8.279 -1.192 -3.728) 9.157 8.237 ( 4.137 1.917 10.959) 11.870 8.453 ( 5.717 2.062 -13.526) 14.829 8.915 ( -1.295 3.753 -7.134) 8.164 8.996 ( -4.164 1.539 8.882) 9.929 ======================= Grid point 204 (92/95) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.633 7.303 0.806) 7.375 1.017 ( -3.443 6.644 -2.678) 7.948 1.116 ( 0.281 9.942 0.051) 9.947 1.178 ( -2.519 9.600 -0.131) 9.926 1.445 ( 2.169 -1.514 0.445) 2.682 1.519 ( 0.515 -2.354 -1.765) 2.987 1.567 ( 0.878 -3.347 1.208) 3.665 1.587 ( 2.252 -1.546 1.835) 3.291 1.670 ( 2.820 -1.289 0.532) 3.146 1.711 ( 3.768 -2.625 -4.298) 6.290 1.799 ( -1.262 3.337 -0.133) 3.570 1.823 ( 2.672 -1.863 2.376) 4.031 1.873 ( -1.138 3.685 1.907) 4.303 2.008 ( -1.612 0.308 -0.400) 1.689 2.078 ( 1.142 -2.203 -0.269) 2.497 2.119 ( -0.967 -2.698 -0.544) 2.918 2.179 ( 0.597 1.608 -0.482) 1.781 2.225 ( -1.145 0.462 1.728) 2.124 2.276 ( -0.126 -0.833 -1.841) 2.024 2.339 ( -3.834 0.473 4.200) 5.706 2.377 ( -0.561 -0.037 -2.960) 3.013 2.452 ( -1.865 -0.540 0.926) 2.151 2.544 ( 1.492 0.939 1.030) 2.042 2.639 ( -1.506 3.449 -1.883) 4.208 2.766 ( 3.018 -0.915 0.771) 3.247 2.914 ( -3.464 -2.628 -0.144) 4.350 2.993 ( 1.017 -1.494 -0.312) 1.834 3.009 ( 0.764 -1.548 0.324) 1.756 3.134 ( 2.049 -0.390 -2.794) 3.487 3.165 ( -0.075 0.127 2.347) 2.352 4.074 ( 0.546 0.549 -3.272) 3.362 4.088 ( -1.099 0.989 2.161) 2.618 4.129 ( 0.183 -0.017 0.354) 0.399 4.158 ( -1.863 0.052 0.982) 2.106 4.458 ( -0.002 1.524 0.972) 1.807 4.471 ( -0.605 1.095 -1.012) 1.609 4.632 ( 0.718 -1.732 1.384) 2.330 4.637 ( 0.678 -2.413 0.052) 2.507 4.807 ( 2.579 0.339 3.143) 4.080 4.882 ( -0.733 -1.320 -0.945) 1.781 4.911 ( 1.252 -0.302 -0.195) 1.302 4.991 ( -1.378 0.083 -0.678) 1.538 5.126 ( -1.274 1.416 -3.126) 3.660 5.193 ( 3.107 -0.220 -4.107) 5.155 5.333 ( 1.811 1.248 -4.038) 4.598 5.454 ( -2.136 -4.809 -1.768) 5.551 5.531 ( 1.791 -2.855 3.402) 4.789 5.728 ( -0.263 1.117 4.714) 4.851 5.923 ( 1.565 6.663 4.031) 7.943 6.062 ( -5.660 -3.167 -6.544) 9.214 6.240 ( 4.748 3.122 8.909) 10.567 6.475 ( -4.257 2.292 -2.892) 5.634 7.194 ( 13.793 -8.291 -7.522) 17.765 7.430 ( 4.144 -14.740 -1.357) 15.371 7.549 ( -8.529 -7.745 9.279) 14.793 7.627 ( -5.328 -7.578 -1.069) 9.325 8.313 ( 4.159 4.330 12.263) 13.654 8.448 ( 2.268 5.695 -13.597) 14.915 8.839 ( 1.183 4.545 -10.299) 11.319 8.917 ( -5.792 3.058 10.285) 12.194 ======================= Grid point 205 (93/95) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -1.491 7.997 -5.002) 9.549 0.892 ( 1.491 7.997 5.002) 9.549 1.035 ( -0.045 11.459 -3.224) 11.904 1.035 ( 0.045 11.459 3.224) 11.904 1.500 ( -3.893 3.481 -0.668) 5.265 1.500 ( 3.893 3.481 0.668) 5.265 1.595 ( -3.695 2.360 -0.806) 4.457 1.595 ( 3.695 2.360 0.806) 4.457 1.720 ( -1.413 -1.951 -1.369) 2.771 1.720 ( 1.413 -1.951 1.369) 2.771 1.796 ( 3.039 -2.567 -2.966) 4.962 1.796 ( -3.039 -2.567 2.966) 4.962 1.932 ( -5.503 0.782 -1.196) 5.685 1.932 ( 5.503 0.782 1.196) 5.685 2.126 ( -0.652 -3.080 -0.283) 3.161 2.126 ( 0.652 -3.080 0.283) 3.161 2.189 ( 1.042 0.909 -1.112) 1.774 2.189 ( -1.042 0.909 1.112) 1.774 2.301 ( 1.869 -0.348 -4.034) 4.459 2.301 ( -1.869 -0.348 4.034) 4.459 2.430 ( 0.012 -3.017 -2.301) 3.794 2.430 ( -0.012 -3.017 2.301) 3.794 2.568 ( -2.108 1.406 -2.005) 3.231 2.568 ( 2.108 1.406 2.005) 3.231 2.857 ( -5.044 -1.327 -0.883) 5.290 2.857 ( 5.044 -1.327 0.883) 5.290 3.027 ( 0.545 -1.874 -0.398) 1.992 3.027 ( -0.545 -1.874 0.398) 1.992 3.156 ( 1.393 0.372 -3.303) 3.604 3.156 ( -1.393 0.372 3.303) 3.604 4.071 ( 0.703 0.601 -2.406) 2.578 4.071 ( -0.703 0.601 2.406) 2.578 4.136 ( 0.327 0.230 -0.473) 0.620 4.136 ( -0.327 0.230 0.473) 0.620 4.451 ( -0.434 0.813 -0.495) 1.046 4.451 ( 0.434 0.813 0.495) 1.046 4.660 ( -0.073 -1.747 -1.059) 2.045 4.660 ( 0.073 -1.747 1.059) 2.045 4.862 ( -1.952 -0.428 -3.981) 4.454 4.862 ( 1.952 -0.428 3.981) 4.454 4.940 ( -1.336 0.441 -2.241) 2.646 4.940 ( 1.336 0.441 2.241) 2.646 5.178 ( -4.336 -2.181 -3.559) 6.019 5.178 ( 4.336 -2.181 3.559) 6.019 5.350 ( -0.745 1.725 -4.122) 4.530 5.350 ( 0.745 1.725 4.122) 4.530 5.714 ( -4.657 -3.563 -3.926) 7.057 5.714 ( 4.657 -3.563 3.926) 7.057 5.942 ( -6.338 2.031 -9.036) 11.222 5.942 ( 6.338 2.031 9.036) 11.222 6.356 ( -6.867 -0.858 -8.110) 10.661 6.356 ( 6.867 -0.858 8.110) 10.661 7.373 ( 3.131 -0.256 -3.644) 4.811 7.373 ( -3.131 -0.256 3.644) 4.811 7.731 ( -1.907 -19.225 -1.551) 19.382 7.731 ( 1.907 -19.225 1.551) 19.382 8.345 ( -1.535 6.963 -11.162) 13.245 8.345 ( 1.535 6.963 11.162) 13.245 8.822 ( 4.631 4.264 -14.264) 15.592 8.822 ( -4.631 4.264 14.264) 15.592 ======================= Grid point 213 (94/95) ======================= q-point: (-0.56 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.348 0.000 -1.413) 1.455 1.090 ( -2.940 -0.000 -0.641) 3.009 1.241 ( -0.504 -0.000 1.466) 1.550 1.273 ( -1.574 -0.000 -1.545) 2.205 1.441 ( -0.933 -0.000 2.341) 2.520 1.472 ( -1.147 -0.000 -2.668) 2.905 1.500 ( 1.791 0.000 -0.144) 1.796 1.522 ( 0.215 0.000 0.692) 0.725 1.694 ( 6.152 0.000 -5.254) 8.090 1.742 ( 5.104 0.000 3.497) 6.187 1.783 ( 4.304 0.000 -0.925) 4.402 1.795 ( 3.316 0.000 2.732) 4.296 1.920 ( -1.800 -0.000 3.232) 3.699 2.014 ( -0.592 -0.000 -2.132) 2.212 2.071 ( 1.214 0.000 1.139) 1.664 2.072 ( 1.887 0.000 -0.818) 2.056 2.207 ( -0.431 -0.000 -1.715) 1.769 2.228 ( -0.569 -0.000 2.199) 2.272 2.295 ( -4.107 -0.000 -3.024) 5.100 2.311 ( -4.556 -0.000 1.718) 4.869 2.407 ( -3.165 -0.000 2.121) 3.810 2.422 ( -3.389 -0.000 -0.859) 3.496 2.568 ( 2.918 0.000 1.996) 3.535 2.681 ( -0.200 -0.000 -1.189) 1.206 2.756 ( 0.051 0.000 -0.062) 0.080 2.873 ( -2.626 -0.000 -0.089) 2.628 2.978 ( 0.544 0.000 -0.801) 0.968 2.992 ( 0.391 0.000 0.335) 0.514 3.130 ( 2.547 0.000 -2.299) 3.431 3.166 ( 0.130 0.000 2.059) 2.063 4.080 ( 0.643 0.000 -3.704) 3.760 4.100 ( -1.384 -0.000 3.305) 3.583 4.128 ( 0.185 0.000 -0.011) 0.185 4.154 ( -1.926 -0.000 0.588) 2.014 4.477 ( -0.068 -0.000 1.105) 1.107 4.493 ( -0.972 -0.000 -0.481) 1.085 4.598 ( 1.263 0.000 -0.341) 1.308 4.617 ( 0.557 0.000 1.070) 1.206 4.812 ( 2.299 0.000 4.239) 4.823 4.865 ( -0.314 -0.000 -1.966) 1.991 4.909 ( 1.422 0.000 0.657) 1.567 4.992 ( -1.121 -0.000 0.375) 1.182 5.154 ( -3.272 -0.000 -1.923) 3.795 5.176 ( 2.533 0.000 -10.190) 10.500 5.365 ( 4.977 0.000 -9.649) 10.857 5.381 ( -1.303 -0.000 9.230) 9.321 5.507 ( 0.337 0.000 -1.952) 1.981 5.732 ( -6.358 -0.000 11.340) 13.001 6.005 ( 1.266 0.000 -7.921) 8.021 6.024 ( -2.343 -0.000 4.482) 5.057 6.295 ( 6.149 0.000 6.933) 9.267 6.530 ( -4.095 -0.000 -3.779) 5.572 7.069 ( 16.192 0.000 -7.202) 17.722 7.228 ( 9.028 0.000 0.063) 9.028 7.490 ( -10.507 -0.000 7.682) 13.016 7.570 ( -10.322 -0.000 -1.409) 10.417 8.360 ( 4.807 0.000 13.874) 14.683 8.505 ( 3.420 0.000 -15.026) 15.410 8.884 ( 0.139 0.000 -12.915) 12.915 8.946 ( -6.380 -0.000 13.077) 14.551 ======================= Grid point 215 (95/95) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 7.23e-05 7.23e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -1.493 4.613 -0.750) 4.906 1.025 ( 1.493 4.613 0.750) 4.906 1.216 ( -0.593 6.381 -2.026) 6.721 1.216 ( 0.593 6.381 2.026) 6.721 1.458 ( -1.272 -2.387 -2.124) 3.439 1.458 ( 1.272 -2.387 2.124) 3.439 1.549 ( 0.037 -5.032 -0.905) 5.113 1.549 ( -0.037 -5.032 0.905) 5.113 1.762 ( 1.879 2.039 -3.417) 4.401 1.762 ( -1.879 2.039 3.417) 4.401 1.808 ( 0.137 1.695 -1.833) 2.500 1.808 ( -0.137 1.695 1.833) 2.500 1.955 ( -4.638 1.013 -2.885) 5.555 1.955 ( 4.638 1.013 2.885) 5.555 2.085 ( -0.461 0.066 -0.565) 0.732 2.085 ( 0.461 0.066 0.565) 0.732 2.211 ( 1.685 0.695 -1.640) 2.452 2.211 ( -1.685 0.695 1.640) 2.452 2.274 ( 1.381 -2.144 -2.175) 3.352 2.274 ( -1.381 -2.144 2.175) 3.352 2.388 ( -0.541 -0.845 -0.511) 1.126 2.388 ( 0.541 -0.845 0.511) 1.126 2.617 ( -3.399 2.394 -2.372) 4.786 2.617 ( 3.399 2.394 2.372) 4.786 2.821 ( -4.464 -1.882 -1.009) 4.949 2.821 ( 4.464 -1.882 1.009) 4.949 2.994 ( 0.694 -1.072 -0.497) 1.370 2.994 ( -0.694 -1.072 0.497) 1.370 3.160 ( 1.573 0.025 -2.336) 2.817 3.160 ( -1.573 0.025 2.336) 2.817 4.084 ( 1.293 0.523 -3.563) 3.826 4.084 ( -1.293 0.523 3.563) 3.826 4.135 ( -0.534 -0.207 0.007) 0.573 4.135 ( 0.534 -0.207 -0.007) 0.573 4.475 ( -0.247 1.207 -0.661) 1.398 4.475 ( 0.247 1.207 0.661) 1.398 4.624 ( -0.198 -1.497 -0.412) 1.565 4.624 ( 0.198 -1.497 0.412) 1.565 4.853 ( -0.868 -0.361 -3.536) 3.658 4.853 ( 0.868 -0.361 3.536) 3.658 4.952 ( -2.462 0.565 -2.197) 3.348 4.952 ( 2.462 0.565 2.197) 3.348 5.141 ( -1.975 -1.302 -4.654) 5.221 5.141 ( 1.975 -1.302 4.654) 5.221 5.378 ( 1.669 0.994 -10.259) 10.442 5.378 ( -1.669 0.994 10.259) 10.442 5.632 ( -7.581 -3.014 0.797) 8.197 5.632 ( 7.581 -3.014 -0.797) 8.197 6.003 ( 0.646 2.095 -7.070) 7.402 6.003 ( -0.646 2.095 7.070) 7.402 6.402 ( -6.477 3.874 -7.536) 10.665 6.402 ( 6.477 3.874 7.536) 10.665 7.327 ( 13.088 -6.375 -8.572) 16.894 7.327 ( -13.088 -6.375 8.572) 16.894 7.431 ( -4.338 -6.167 -2.027) 7.808 7.431 ( 4.338 -6.167 2.027) 7.808 8.452 ( -2.405 3.257 -14.521) 15.075 8.452 ( 2.405 3.257 14.521) 15.075 8.879 ( 5.095 1.555 -14.680) 15.617 8.879 ( -5.095 1.555 14.680) 15.617 =================== 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 3/19440 10.0 81.189 93.565 52.557 -0.000 2.116 0.000 3/19440 20.0 22.661 28.403 13.209 -0.000 0.911 0.000 3/19440 30.0 11.012 14.040 6.145 -0.000 0.472 0.000 3/19440 40.0 6.476 8.304 3.522 -0.000 0.295 0.000 3/19440 50.0 4.224 5.432 2.268 -0.000 0.202 0.000 3/19440 60.0 2.992 3.851 1.599 -0.000 0.148 0.000 3/19440 70.0 2.263 2.912 1.210 -0.000 0.115 0.000 3/19440 80.0 1.799 2.314 0.964 -0.000 0.093 0.000 3/19440 90.0 1.487 1.910 0.799 -0.000 0.078 0.000 3/19440 100.0 1.264 1.623 0.682 -0.000 0.067 0.000 3/19440 110.0 1.100 1.410 0.595 -0.000 0.059 0.000 3/19440 120.0 0.973 1.246 0.528 -0.000 0.052 0.000 3/19440 130.0 0.873 1.118 0.475 -0.000 0.047 0.000 3/19440 140.0 0.792 1.013 0.432 -0.000 0.043 0.000 3/19440 150.0 0.726 0.927 0.397 -0.000 0.039 0.000 3/19440 160.0 0.670 0.855 0.367 -0.000 0.036 0.000 3/19440 170.0 0.622 0.794 0.341 -0.000 0.034 0.000 3/19440 180.0 0.581 0.741 0.319 -0.000 0.031 0.000 3/19440 190.0 0.545 0.695 0.300 -0.000 0.030 0.000 3/19440 200.0 0.514 0.655 0.283 -0.000 0.028 0.000 3/19440 210.0 0.486 0.619 0.268 -0.000 0.026 0.000 3/19440 220.0 0.461 0.587 0.254 -0.000 0.025 0.000 3/19440 230.0 0.439 0.559 0.242 -0.000 0.024 0.000 3/19440 240.0 0.418 0.533 0.231 -0.000 0.023 0.000 3/19440 250.0 0.400 0.509 0.221 -0.000 0.022 0.000 3/19440 260.0 0.383 0.488 0.212 -0.000 0.021 0.000 3/19440 270.0 0.368 0.468 0.204 -0.000 0.020 0.000 3/19440 280.0 0.354 0.450 0.196 -0.000 0.019 0.000 3/19440 290.0 0.341 0.433 0.189 -0.000 0.018 0.000 3/19440 300.0 0.328 0.418 0.182 -0.000 0.018 0.000 3/19440 310.0 0.317 0.403 0.176 -0.000 0.017 0.000 3/19440 320.0 0.307 0.390 0.170 -0.000 0.017 0.000 3/19440 330.0 0.297 0.377 0.165 -0.000 0.016 0.000 3/19440 340.0 0.288 0.366 0.160 -0.000 0.016 0.000 3/19440 350.0 0.279 0.355 0.155 -0.000 0.015 0.000 3/19440 360.0 0.271 0.344 0.150 -0.000 0.015 0.000 3/19440 370.0 0.263 0.334 0.146 -0.000 0.014 0.000 3/19440 380.0 0.256 0.325 0.142 -0.000 0.014 0.000 3/19440 390.0 0.249 0.317 0.138 -0.000 0.013 0.000 3/19440 400.0 0.243 0.308 0.135 -0.000 0.013 0.000 3/19440 410.0 0.236 0.300 0.131 -0.000 0.013 0.000 3/19440 420.0 0.231 0.293 0.128 -0.000 0.012 0.000 3/19440 430.0 0.225 0.286 0.125 -0.000 0.012 0.000 3/19440 440.0 0.220 0.279 0.122 -0.000 0.012 0.000 3/19440 450.0 0.215 0.273 0.119 -0.000 0.012 0.000 3/19440 460.0 0.210 0.267 0.117 -0.000 0.011 0.000 3/19440 470.0 0.205 0.261 0.114 -0.000 0.011 0.000 3/19440 480.0 0.201 0.255 0.112 -0.000 0.011 0.000 3/19440 490.0 0.197 0.250 0.109 -0.000 0.011 0.000 3/19440 500.0 0.193 0.245 0.107 -0.000 0.010 0.000 3/19440 510.0 0.189 0.240 0.105 -0.000 0.010 0.000 3/19440 520.0 0.185 0.235 0.103 -0.000 0.010 0.000 3/19440 530.0 0.182 0.231 0.101 -0.000 0.010 0.000 3/19440 540.0 0.178 0.226 0.099 -0.000 0.010 0.000 3/19440 550.0 0.175 0.222 0.097 -0.000 0.009 0.000 3/19440 560.0 0.172 0.218 0.096 -0.000 0.009 0.000 3/19440 570.0 0.169 0.214 0.094 -0.000 0.009 0.000 3/19440 580.0 0.166 0.210 0.092 -0.000 0.009 0.000 3/19440 590.0 0.163 0.207 0.091 -0.000 0.009 0.000 3/19440 600.0 0.160 0.203 0.089 -0.000 0.009 0.000 3/19440 610.0 0.157 0.200 0.088 -0.000 0.009 0.000 3/19440 620.0 0.155 0.197 0.086 -0.000 0.008 0.000 3/19440 630.0 0.152 0.193 0.085 -0.000 0.008 0.000 3/19440 640.0 0.150 0.190 0.083 -0.000 0.008 0.000 3/19440 650.0 0.148 0.187 0.082 -0.000 0.008 0.000 3/19440 660.0 0.145 0.184 0.081 -0.000 0.008 0.000 3/19440 670.0 0.143 0.182 0.080 -0.000 0.008 0.000 3/19440 680.0 0.141 0.179 0.079 -0.000 0.008 0.000 3/19440 690.0 0.139 0.176 0.077 -0.000 0.008 0.000 3/19440 700.0 0.137 0.174 0.076 -0.000 0.007 0.000 3/19440 710.0 0.135 0.171 0.075 -0.000 0.007 0.000 3/19440 720.0 0.133 0.169 0.074 -0.000 0.007 0.000 3/19440 730.0 0.131 0.167 0.073 -0.000 0.007 0.000 3/19440 740.0 0.129 0.164 0.072 -0.000 0.007 0.000 3/19440 750.0 0.128 0.162 0.071 -0.000 0.007 0.000 3/19440 760.0 0.126 0.160 0.070 -0.000 0.007 0.000 3/19440 770.0 0.124 0.158 0.069 -0.000 0.007 0.000 3/19440 780.0 0.123 0.156 0.068 -0.000 0.007 0.000 3/19440 790.0 0.121 0.154 0.067 -0.000 0.007 0.000 3/19440 800.0 0.120 0.152 0.067 -0.000 0.006 0.000 3/19440 810.0 0.118 0.150 0.066 -0.000 0.006 0.000 3/19440 820.0 0.117 0.148 0.065 -0.000 0.006 0.000 3/19440 830.0 0.115 0.146 0.064 -0.000 0.006 0.000 3/19440 840.0 0.114 0.145 0.063 -0.000 0.006 0.000 3/19440 850.0 0.112 0.143 0.063 -0.000 0.006 0.000 3/19440 860.0 0.111 0.141 0.062 -0.000 0.006 0.000 3/19440 870.0 0.110 0.139 0.061 -0.000 0.006 0.000 3/19440 880.0 0.109 0.138 0.061 -0.000 0.006 0.000 3/19440 890.0 0.107 0.136 0.060 -0.000 0.006 0.000 3/19440 900.0 0.106 0.135 0.059 -0.000 0.006 0.000 3/19440 910.0 0.105 0.133 0.059 -0.000 0.006 0.000 3/19440 920.0 0.104 0.132 0.058 -0.000 0.006 0.000 3/19440 930.0 0.103 0.130 0.057 -0.000 0.006 0.000 3/19440 940.0 0.102 0.129 0.057 -0.000 0.005 0.000 3/19440 950.0 0.101 0.128 0.056 -0.000 0.005 0.000 3/19440 960.0 0.100 0.126 0.055 -0.000 0.005 0.000 3/19440 970.0 0.098 0.125 0.055 -0.000 0.005 0.000 3/19440 980.0 0.097 0.124 0.054 -0.000 0.005 0.000 3/19440 990.0 0.096 0.122 0.054 -0.000 0.005 0.000 3/19440 1000.0 0.095 0.121 0.053 -0.000 0.005 0.000 3/19440 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:33:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|