----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:42:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.770031660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.832038550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.421819400000000 Atomic positions (fractional): *1 O 0.19884824400920 0.45009803436172 0.80970591976598 15.999 2 O 0.30115175599081 0.54990196563828 0.30970591976598 15.999 3 O 0.69884824400919 0.04990196563828 0.69029408023402 15.999 4 O 0.80115175599081 0.95009803436172 0.19029408023402 15.999 5 O 0.80115175599081 0.54990196563828 0.19029408023402 15.999 6 O 0.69884824400919 0.45009803436172 0.69029408023402 15.999 7 O 0.30115175599081 0.95009803436172 0.30970591976598 15.999 8 O 0.19884824400920 0.04990196563828 0.80970591976598 15.999 *9 O 0.02443086048994 0.25000000000000 0.40039248358255 15.999 10 O 0.47556913951005 0.75000000000000 0.90039248358255 15.999 11 O 0.52443086048995 0.25000000000000 0.09960751641745 15.999 12 O 0.97556913951005 0.75000000000000 0.59960751641745 15.999 *13 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 14 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 15 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 16 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 *17 La 0.56912404492895 0.75000000000000 0.48011113500378 138.905 18 La 0.93087595507105 0.25000000000000 0.98011113500378 138.905 19 La 0.06912404492895 0.75000000000000 0.01988886499622 138.905 20 La 0.43087595507105 0.25000000000000 0.51988886499622 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.770031660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.832038550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.421819400000000 Atomic positions (fractional): *1 O 0.19884824400920 0.45009803436172 0.80970591976598 15.999 > 1 2 O 0.30115175599081 0.54990196563828 0.30970591976598 15.999 > 2 3 O 0.69884824400919 0.04990196563828 0.69029408023402 15.999 > 3 4 O 0.80115175599081 0.95009803436172 0.19029408023402 15.999 > 4 5 O 0.80115175599081 0.54990196563828 0.19029408023402 15.999 > 5 6 O 0.69884824400919 0.45009803436172 0.69029408023402 15.999 > 6 7 O 0.30115175599081 0.95009803436172 0.30970591976598 15.999 > 7 8 O 0.19884824400920 0.04990196563828 0.80970591976598 15.999 > 8 *9 O 0.02443086048994 0.25000000000000 0.40039248358255 15.999 > 9 10 O 0.47556913951005 0.75000000000000 0.90039248358255 15.999 > 10 11 O 0.52443086048995 0.25000000000000 0.09960751641745 15.999 > 11 12 O 0.97556913951005 0.75000000000000 0.59960751641745 15.999 > 12 *13 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 13 14 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 14 15 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 15 16 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 16 *17 La 0.56912404492895 0.75000000000000 0.48011113500378 138.905 > 17 18 La 0.93087595507105 0.25000000000000 0.98011113500378 138.905 > 18 19 La 0.06912404492895 0.75000000000000 0.01988886499622 138.905 > 19 20 La 0.43087595507105 0.25000000000000 0.51988886499622 138.905 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.540063320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.832038550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.843638800000001 Atomic positions (fractional): *1 O 0.09942412200460 0.45009803436172 0.40485295988299 15.999 > 1 2 O 0.59942412200460 0.45009803436172 0.40485295988299 15.999 > 1 3 O 0.09942412200460 0.45009803436172 0.90485295988299 15.999 > 1 4 O 0.59942412200460 0.45009803436172 0.90485295988299 15.999 > 1 5 O 0.15057587799540 0.54990196563828 0.15485295988299 15.999 > 2 6 O 0.65057587799540 0.54990196563828 0.15485295988299 15.999 > 2 7 O 0.15057587799540 0.54990196563828 0.65485295988299 15.999 > 2 8 O 0.65057587799540 0.54990196563828 0.65485295988299 15.999 > 2 9 O 0.34942412200460 0.04990196563828 0.34514704011701 15.999 > 3 10 O 0.84942412200460 0.04990196563828 0.34514704011701 15.999 > 3 11 O 0.34942412200460 0.04990196563828 0.84514704011701 15.999 > 3 12 O 0.84942412200460 0.04990196563828 0.84514704011701 15.999 > 3 13 O 0.40057587799540 0.95009803436172 0.09514704011701 15.999 > 4 14 O 0.90057587799540 0.95009803436172 0.09514704011701 15.999 > 4 15 O 0.40057587799540 0.95009803436172 0.59514704011701 15.999 > 4 16 O 0.90057587799540 0.95009803436172 0.59514704011701 15.999 > 4 17 O 0.40057587799540 0.54990196563828 0.09514704011701 15.999 > 5 18 O 0.90057587799540 0.54990196563828 0.09514704011701 15.999 > 5 19 O 0.40057587799540 0.54990196563828 0.59514704011701 15.999 > 5 20 O 0.90057587799540 0.54990196563828 0.59514704011701 15.999 > 5 21 O 0.34942412200460 0.45009803436172 0.34514704011701 15.999 > 6 22 O 0.84942412200460 0.45009803436172 0.34514704011701 15.999 > 6 23 O 0.34942412200460 0.45009803436172 0.84514704011701 15.999 > 6 24 O 0.84942412200460 0.45009803436172 0.84514704011701 15.999 > 6 25 O 0.15057587799540 0.95009803436172 0.15485295988299 15.999 > 7 26 O 0.65057587799540 0.95009803436172 0.15485295988299 15.999 > 7 27 O 0.15057587799540 0.95009803436172 0.65485295988299 15.999 > 7 28 O 0.65057587799540 0.95009803436172 0.65485295988299 15.999 > 7 29 O 0.09942412200460 0.04990196563828 0.40485295988299 15.999 > 8 30 O 0.59942412200460 0.04990196563828 0.40485295988299 15.999 > 8 31 O 0.09942412200460 0.04990196563828 0.90485295988299 15.999 > 8 32 O 0.59942412200460 0.04990196563828 0.90485295988299 15.999 > 8 *33 O 0.01221543024497 0.25000000000000 0.20019624179128 15.999 > 9 34 O 0.51221543024497 0.25000000000000 0.20019624179128 15.999 > 9 35 O 0.01221543024497 0.25000000000000 0.70019624179128 15.999 > 9 36 O 0.51221543024497 0.25000000000000 0.70019624179128 15.999 > 9 37 O 0.23778456975503 0.75000000000000 0.45019624179128 15.999 > 10 38 O 0.73778456975503 0.75000000000000 0.45019624179128 15.999 > 10 39 O 0.23778456975503 0.75000000000000 0.95019624179128 15.999 > 10 40 O 0.73778456975503 0.75000000000000 0.95019624179128 15.999 > 10 41 O 0.26221543024497 0.25000000000000 0.04980375820872 15.999 > 11 42 O 0.76221543024497 0.25000000000000 0.04980375820872 15.999 > 11 43 O 0.26221543024497 0.25000000000000 0.54980375820872 15.999 > 11 44 O 0.76221543024497 0.25000000000000 0.54980375820872 15.999 > 11 45 O 0.48778456975503 0.75000000000000 0.29980375820872 15.999 > 12 46 O 0.98778456975503 0.75000000000000 0.29980375820872 15.999 > 12 47 O 0.48778456975503 0.75000000000000 0.79980375820872 15.999 > 12 48 O 0.98778456975503 0.75000000000000 0.79980375820872 15.999 > 12 *49 Rh 0.00000000000000 0.50000000000000 0.25000000000000 102.906 > 13 50 Rh 0.50000000000000 0.50000000000000 0.25000000000000 102.906 > 13 51 Rh 0.00000000000000 0.50000000000000 0.75000000000000 102.906 > 13 52 Rh 0.50000000000000 0.50000000000000 0.75000000000000 102.906 > 13 53 Rh 0.25000000000000 0.50000000000000 0.00000000000000 102.906 > 14 54 Rh 0.75000000000000 0.50000000000000 0.00000000000000 102.906 > 14 55 Rh 0.25000000000000 0.50000000000000 0.50000000000000 102.906 > 14 56 Rh 0.75000000000000 0.50000000000000 0.50000000000000 102.906 > 14 57 Rh 0.25000000000000 0.00000000000000 0.00000000000000 102.906 > 15 58 Rh 0.75000000000000 0.00000000000000 0.00000000000000 102.906 > 15 59 Rh 0.25000000000000 0.00000000000000 0.50000000000000 102.906 > 15 60 Rh 0.75000000000000 0.00000000000000 0.50000000000000 102.906 > 15 61 Rh 0.00000000000000 0.00000000000000 0.25000000000000 102.906 > 16 62 Rh 0.50000000000000 0.00000000000000 0.25000000000000 102.906 > 16 63 Rh 0.00000000000000 0.00000000000000 0.75000000000000 102.906 > 16 64 Rh 0.50000000000000 0.00000000000000 0.75000000000000 102.906 > 16 *65 La 0.28456202246447 0.75000000000000 0.24005556750189 138.905 > 17 66 La 0.78456202246447 0.75000000000000 0.24005556750189 138.905 > 17 67 La 0.28456202246447 0.75000000000000 0.74005556750189 138.905 > 17 68 La 0.78456202246447 0.75000000000000 0.74005556750189 138.905 > 17 69 La 0.46543797753553 0.25000000000000 0.49005556750189 138.905 > 18 70 La 0.96543797753553 0.25000000000000 0.49005556750189 138.905 > 18 71 La 0.46543797753553 0.25000000000000 0.99005556750189 138.905 > 18 72 La 0.96543797753553 0.25000000000000 0.99005556750189 138.905 > 18 73 La 0.03456202246447 0.75000000000000 0.00994443249811 138.905 > 19 74 La 0.53456202246447 0.75000000000000 0.00994443249811 138.905 > 19 75 La 0.03456202246447 0.75000000000000 0.50994443249811 138.905 > 19 76 La 0.53456202246447 0.75000000000000 0.50994443249811 138.905 > 19 77 La 0.21543797753553 0.25000000000000 0.25994443249811 138.905 > 20 78 La 0.71543797753553 0.25000000000000 0.25994443249811 138.905 > 20 79 La 0.21543797753553 0.25000000000000 0.75994443249811 138.905 > 20 80 La 0.71543797753553 0.25000000000000 0.75994443249811 138.905 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.0466242 0.0000000 0.0000000 0.0000000 13.2163373 0.0000000 0.0000000 0.0000000 14.0309387 -------------------------- Born effective charges -------------------------- 1 O -2.3483448 0.0200968 -0.7493878 0.0694563 -1.4940024 -0.2529128 -0.8686233 -0.3271525 -2.0231637 2 O -2.3483448 0.0200968 0.7493878 0.0694563 -1.4940024 0.2529128 0.8686233 0.3271525 -2.0231637 3 O -2.3483448 -0.0200968 0.7493878 -0.0694563 -1.4940024 -0.2529128 0.8686233 -0.3271525 -2.0231637 4 O -2.3483448 -0.0200968 -0.7493878 -0.0694563 -1.4940024 0.2529128 -0.8686233 0.3271525 -2.0231637 5 O -2.3483448 0.0200968 -0.7493878 0.0694563 -1.4940024 -0.2529128 -0.8686233 -0.3271525 -2.0231637 6 O -2.3483448 0.0200968 0.7493878 0.0694563 -1.4940024 0.2529128 0.8686233 0.3271525 -2.0231637 7 O -2.3483448 -0.0200968 0.7493878 -0.0694563 -1.4940024 -0.2529128 0.8686233 -0.3271525 -2.0231637 8 O -2.3483448 -0.0200968 -0.7493878 -0.0694563 -1.4940024 0.2529128 -0.8686233 0.3271525 -2.0231637 9 O -1.3297511 0.0000000 -0.4881292 0.0000000 -3.1519328 0.0000000 -0.6993809 0.0000000 -1.4136518 10 O -1.3297511 0.0000000 0.4881292 0.0000000 -3.1519328 0.0000000 0.6993809 0.0000000 -1.4136518 11 O -1.3297511 0.0000000 0.4881292 0.0000000 -3.1519328 0.0000000 0.6993809 0.0000000 -1.4136518 12 O -1.3297511 0.0000000 -0.4881292 0.0000000 -3.1519328 0.0000000 -0.6993809 0.0000000 -1.4136518 13 Rh 1.5159947 -0.2306467 0.9983773 -0.6678019 1.6479806 0.9323373 -0.4920159 -1.1336791 0.7944875 14 Rh 1.5159947 -0.2306467 -0.9983773 -0.6678019 1.6479806 -0.9323373 0.4920159 1.1336791 0.7944875 15 Rh 1.5159947 0.2306467 -0.9983773 0.6678019 1.6479806 0.9323373 0.4920159 -1.1336791 0.7944875 16 Rh 1.5159947 0.2306467 0.9983773 0.6678019 1.6479806 -0.9323373 -0.4920159 1.1336791 0.7944875 17 La 4.5104460 0.0000000 0.0165583 0.0000000 4.4919569 0.0000000 0.3539997 0.0000000 4.6654918 18 La 4.5104460 0.0000000 -0.0165583 0.0000000 4.4919569 0.0000000 -0.3539997 0.0000000 4.6654918 19 La 4.5104460 0.0000000 -0.0165583 0.0000000 4.4919569 0.0000000 -0.3539997 0.0000000 4.6654918 20 La 4.5104460 0.0000000 0.0165583 0.0000000 4.4919569 0.0000000 0.3539997 0.0000000 4.6654918 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.723 Solver_block: 200 / 320 - Time: 0.726 Solver_block: 300 / 320 - Time: 0.726 Solver_block: 320 / 320 - Time: 0.182 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.374 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:42:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:42:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.770031660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.832038550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.421819400000000 Atomic positions (fractional): 1 O 0.19884824400920 0.45009803436172 0.80970591976598 15.999 2 O 0.30115175599081 0.54990196563828 0.30970591976598 15.999 3 O 0.69884824400919 0.04990196563828 0.69029408023402 15.999 4 O 0.80115175599081 0.95009803436172 0.19029408023402 15.999 5 O 0.80115175599081 0.54990196563828 0.19029408023402 15.999 6 O 0.69884824400919 0.45009803436172 0.69029408023402 15.999 7 O 0.30115175599081 0.95009803436172 0.30970591976598 15.999 8 O 0.19884824400920 0.04990196563828 0.80970591976598 15.999 9 O 0.02443086048994 0.25000000000000 0.40039248358255 15.999 10 O 0.47556913951005 0.75000000000000 0.90039248358255 15.999 11 O 0.52443086048995 0.25000000000000 0.09960751641745 15.999 12 O 0.97556913951005 0.75000000000000 0.59960751641745 15.999 13 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 14 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 15 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 16 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 17 La 0.56912404492895 0.75000000000000 0.48011113500378 138.905 18 La 0.93087595507105 0.25000000000000 0.98011113500378 138.905 19 La 0.06912404492895 0.75000000000000 0.01988886499622 138.905 20 La 0.43087595507105 0.25000000000000 0.51988886499622 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.540063320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.832038550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.843638800000001 Atomic positions (fractional): 1 O 0.09942412200460 0.45009803436172 0.40485295988299 15.999 > 1 2 O 0.59942412200460 0.45009803436172 0.40485295988299 15.999 > 1 3 O 0.09942412200460 0.45009803436172 0.90485295988299 15.999 > 1 4 O 0.59942412200460 0.45009803436172 0.90485295988299 15.999 > 1 5 O 0.15057587799540 0.54990196563828 0.15485295988299 15.999 > 5 6 O 0.65057587799540 0.54990196563828 0.15485295988299 15.999 > 5 7 O 0.15057587799540 0.54990196563828 0.65485295988299 15.999 > 5 8 O 0.65057587799540 0.54990196563828 0.65485295988299 15.999 > 5 9 O 0.34942412200460 0.04990196563828 0.34514704011701 15.999 > 9 10 O 0.84942412200460 0.04990196563828 0.34514704011701 15.999 > 9 11 O 0.34942412200460 0.04990196563828 0.84514704011701 15.999 > 9 12 O 0.84942412200460 0.04990196563828 0.84514704011701 15.999 > 9 13 O 0.40057587799540 0.95009803436172 0.09514704011701 15.999 > 13 14 O 0.90057587799540 0.95009803436172 0.09514704011701 15.999 > 13 15 O 0.40057587799540 0.95009803436172 0.59514704011701 15.999 > 13 16 O 0.90057587799540 0.95009803436172 0.59514704011701 15.999 > 13 17 O 0.40057587799540 0.54990196563828 0.09514704011701 15.999 > 17 18 O 0.90057587799540 0.54990196563828 0.09514704011701 15.999 > 17 19 O 0.40057587799540 0.54990196563828 0.59514704011701 15.999 > 17 20 O 0.90057587799540 0.54990196563828 0.59514704011701 15.999 > 17 21 O 0.34942412200460 0.45009803436172 0.34514704011701 15.999 > 21 22 O 0.84942412200460 0.45009803436172 0.34514704011701 15.999 > 21 23 O 0.34942412200460 0.45009803436172 0.84514704011701 15.999 > 21 24 O 0.84942412200460 0.45009803436172 0.84514704011701 15.999 > 21 25 O 0.15057587799540 0.95009803436172 0.15485295988299 15.999 > 25 26 O 0.65057587799540 0.95009803436172 0.15485295988299 15.999 > 25 27 O 0.15057587799540 0.95009803436172 0.65485295988299 15.999 > 25 28 O 0.65057587799540 0.95009803436172 0.65485295988299 15.999 > 25 29 O 0.09942412200460 0.04990196563828 0.40485295988299 15.999 > 29 30 O 0.59942412200460 0.04990196563828 0.40485295988299 15.999 > 29 31 O 0.09942412200460 0.04990196563828 0.90485295988299 15.999 > 29 32 O 0.59942412200460 0.04990196563828 0.90485295988299 15.999 > 29 33 O 0.01221543024497 0.25000000000000 0.20019624179128 15.999 > 33 34 O 0.51221543024497 0.25000000000000 0.20019624179128 15.999 > 33 35 O 0.01221543024497 0.25000000000000 0.70019624179128 15.999 > 33 36 O 0.51221543024497 0.25000000000000 0.70019624179128 15.999 > 33 37 O 0.23778456975503 0.75000000000000 0.45019624179128 15.999 > 37 38 O 0.73778456975503 0.75000000000000 0.45019624179128 15.999 > 37 39 O 0.23778456975503 0.75000000000000 0.95019624179128 15.999 > 37 40 O 0.73778456975503 0.75000000000000 0.95019624179128 15.999 > 37 41 O 0.26221543024497 0.25000000000000 0.04980375820872 15.999 > 41 42 O 0.76221543024497 0.25000000000000 0.04980375820872 15.999 > 41 43 O 0.26221543024497 0.25000000000000 0.54980375820872 15.999 > 41 44 O 0.76221543024497 0.25000000000000 0.54980375820872 15.999 > 41 45 O 0.48778456975503 0.75000000000000 0.29980375820872 15.999 > 45 46 O 0.98778456975503 0.75000000000000 0.29980375820872 15.999 > 45 47 O 0.48778456975503 0.75000000000000 0.79980375820872 15.999 > 45 48 O 0.98778456975503 0.75000000000000 0.79980375820872 15.999 > 45 49 Rh 0.00000000000000 0.50000000000000 0.25000000000000 102.906 > 49 50 Rh 0.50000000000000 0.50000000000000 0.25000000000000 102.906 > 49 51 Rh 0.00000000000000 0.50000000000000 0.75000000000000 102.906 > 49 52 Rh 0.50000000000000 0.50000000000000 0.75000000000000 102.906 > 49 53 Rh 0.25000000000000 0.50000000000000 0.00000000000000 102.906 > 53 54 Rh 0.75000000000000 0.50000000000000 0.00000000000000 102.906 > 53 55 Rh 0.25000000000000 0.50000000000000 0.50000000000000 102.906 > 53 56 Rh 0.75000000000000 0.50000000000000 0.50000000000000 102.906 > 53 57 Rh 0.25000000000000 0.00000000000000 0.00000000000000 102.906 > 57 58 Rh 0.75000000000000 0.00000000000000 0.00000000000000 102.906 > 57 59 Rh 0.25000000000000 0.00000000000000 0.50000000000000 102.906 > 57 60 Rh 0.75000000000000 0.00000000000000 0.50000000000000 102.906 > 57 61 Rh 0.00000000000000 0.00000000000000 0.25000000000000 102.906 > 61 62 Rh 0.50000000000000 0.00000000000000 0.25000000000000 102.906 > 61 63 Rh 0.00000000000000 0.00000000000000 0.75000000000000 102.906 > 61 64 Rh 0.50000000000000 0.00000000000000 0.75000000000000 102.906 > 61 65 La 0.28456202246447 0.75000000000000 0.24005556750189 138.905 > 65 66 La 0.78456202246447 0.75000000000000 0.24005556750189 138.905 > 65 67 La 0.28456202246447 0.75000000000000 0.74005556750189 138.905 > 65 68 La 0.78456202246447 0.75000000000000 0.74005556750189 138.905 > 65 69 La 0.46543797753553 0.25000000000000 0.49005556750189 138.905 > 69 70 La 0.96543797753553 0.25000000000000 0.49005556750189 138.905 > 69 71 La 0.46543797753553 0.25000000000000 0.99005556750189 138.905 > 69 72 La 0.96543797753553 0.25000000000000 0.99005556750189 138.905 > 69 73 La 0.03456202246447 0.75000000000000 0.00994443249811 138.905 > 73 74 La 0.53456202246447 0.75000000000000 0.00994443249811 138.905 > 73 75 La 0.03456202246447 0.75000000000000 0.50994443249811 138.905 > 73 76 La 0.53456202246447 0.75000000000000 0.50994443249811 138.905 > 73 77 La 0.21543797753553 0.25000000000000 0.25994443249811 138.905 > 77 78 La 0.71543797753553 0.25000000000000 0.25994443249811 138.905 > 77 79 La 0.21543797753553 0.25000000000000 0.75994443249811 138.905 > 77 80 La 0.71543797753553 0.25000000000000 0.75994443249811 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.0466242 0.0000000 0.0000000 0.0000000 13.2163373 0.0000000 0.0000000 0.0000000 14.0309387 -------------------------- Born effective charges -------------------------- 1 O -2.3483448 0.0200968 -0.7493878 0.0694563 -1.4940024 -0.2529128 -0.8686233 -0.3271525 -2.0231637 2 O -2.3483448 0.0200968 0.7493878 0.0694563 -1.4940024 0.2529128 0.8686233 0.3271525 -2.0231637 3 O -2.3483448 -0.0200968 0.7493878 -0.0694563 -1.4940024 -0.2529128 0.8686233 -0.3271525 -2.0231637 4 O -2.3483448 -0.0200968 -0.7493878 -0.0694563 -1.4940024 0.2529128 -0.8686233 0.3271525 -2.0231637 5 O -2.3483448 0.0200968 -0.7493878 0.0694563 -1.4940024 -0.2529128 -0.8686233 -0.3271525 -2.0231637 6 O -2.3483448 0.0200968 0.7493878 0.0694563 -1.4940024 0.2529128 0.8686233 0.3271525 -2.0231637 7 O -2.3483448 -0.0200968 0.7493878 -0.0694563 -1.4940024 -0.2529128 0.8686233 -0.3271525 -2.0231637 8 O -2.3483448 -0.0200968 -0.7493878 -0.0694563 -1.4940024 0.2529128 -0.8686233 0.3271525 -2.0231637 9 O -1.3297511 0.0000000 -0.4881292 0.0000000 -3.1519328 0.0000000 -0.6993809 0.0000000 -1.4136518 10 O -1.3297511 0.0000000 0.4881292 0.0000000 -3.1519328 0.0000000 0.6993809 0.0000000 -1.4136518 11 O -1.3297511 0.0000000 0.4881292 0.0000000 -3.1519328 0.0000000 0.6993809 0.0000000 -1.4136518 12 O -1.3297511 0.0000000 -0.4881292 0.0000000 -3.1519328 0.0000000 -0.6993809 0.0000000 -1.4136518 13 Rh 1.5159947 -0.2306467 0.9983773 -0.6678019 1.6479806 0.9323373 -0.4920159 -1.1336791 0.7944875 14 Rh 1.5159947 -0.2306467 -0.9983773 -0.6678019 1.6479806 -0.9323373 0.4920159 1.1336791 0.7944875 15 Rh 1.5159947 0.2306467 -0.9983773 0.6678019 1.6479806 0.9323373 0.4920159 -1.1336791 0.7944875 16 Rh 1.5159947 0.2306467 0.9983773 0.6678019 1.6479806 -0.9323373 -0.4920159 1.1336791 0.7944875 17 La 4.5104460 0.0000000 0.0165583 0.0000000 4.4919569 0.0000000 0.3539997 0.0000000 4.6654918 18 La 4.5104460 0.0000000 -0.0165583 0.0000000 4.4919569 0.0000000 -0.3539997 0.0000000 4.6654918 19 La 4.5104460 0.0000000 -0.0165583 0.0000000 4.4919569 0.0000000 -0.3539997 0.0000000 4.6654918 20 La 4.5104460 0.0000000 0.0165583 0.0000000 4.4919569 0.0000000 0.3539997 0.0000000 4.6654918 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zx) -0.00000004 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:42:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:42:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.770031660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.832038550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.421819400000000 Atomic positions (fractional): 1 O 0.19884824400920 0.45009803436172 0.80970591976598 15.999 2 O 0.30115175599081 0.54990196563828 0.30970591976598 15.999 3 O 0.69884824400919 0.04990196563828 0.69029408023402 15.999 4 O 0.80115175599081 0.95009803436172 0.19029408023402 15.999 5 O 0.80115175599081 0.54990196563828 0.19029408023402 15.999 6 O 0.69884824400919 0.45009803436172 0.69029408023402 15.999 7 O 0.30115175599081 0.95009803436172 0.30970591976598 15.999 8 O 0.19884824400920 0.04990196563828 0.80970591976598 15.999 9 O 0.02443086048994 0.25000000000000 0.40039248358255 15.999 10 O 0.47556913951005 0.75000000000000 0.90039248358255 15.999 11 O 0.52443086048995 0.25000000000000 0.09960751641745 15.999 12 O 0.97556913951005 0.75000000000000 0.59960751641745 15.999 13 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 14 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 15 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 16 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 17 La 0.56912404492895 0.75000000000000 0.48011113500378 138.905 18 La 0.93087595507105 0.25000000000000 0.98011113500378 138.905 19 La 0.06912404492895 0.75000000000000 0.01988886499622 138.905 20 La 0.43087595507105 0.25000000000000 0.51988886499622 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.540063320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.832038550000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.843638800000001 Atomic positions (fractional): 1 O 0.09942412200460 0.45009803436172 0.40485295988299 15.999 > 1 2 O 0.59942412200460 0.45009803436172 0.40485295988299 15.999 > 1 3 O 0.09942412200460 0.45009803436172 0.90485295988299 15.999 > 1 4 O 0.59942412200460 0.45009803436172 0.90485295988299 15.999 > 1 5 O 0.15057587799540 0.54990196563828 0.15485295988299 15.999 > 5 6 O 0.65057587799540 0.54990196563828 0.15485295988299 15.999 > 5 7 O 0.15057587799540 0.54990196563828 0.65485295988299 15.999 > 5 8 O 0.65057587799540 0.54990196563828 0.65485295988299 15.999 > 5 9 O 0.34942412200460 0.04990196563828 0.34514704011701 15.999 > 9 10 O 0.84942412200460 0.04990196563828 0.34514704011701 15.999 > 9 11 O 0.34942412200460 0.04990196563828 0.84514704011701 15.999 > 9 12 O 0.84942412200460 0.04990196563828 0.84514704011701 15.999 > 9 13 O 0.40057587799540 0.95009803436172 0.09514704011701 15.999 > 13 14 O 0.90057587799540 0.95009803436172 0.09514704011701 15.999 > 13 15 O 0.40057587799540 0.95009803436172 0.59514704011701 15.999 > 13 16 O 0.90057587799540 0.95009803436172 0.59514704011701 15.999 > 13 17 O 0.40057587799540 0.54990196563828 0.09514704011701 15.999 > 17 18 O 0.90057587799540 0.54990196563828 0.09514704011701 15.999 > 17 19 O 0.40057587799540 0.54990196563828 0.59514704011701 15.999 > 17 20 O 0.90057587799540 0.54990196563828 0.59514704011701 15.999 > 17 21 O 0.34942412200460 0.45009803436172 0.34514704011701 15.999 > 21 22 O 0.84942412200460 0.45009803436172 0.34514704011701 15.999 > 21 23 O 0.34942412200460 0.45009803436172 0.84514704011701 15.999 > 21 24 O 0.84942412200460 0.45009803436172 0.84514704011701 15.999 > 21 25 O 0.15057587799540 0.95009803436172 0.15485295988299 15.999 > 25 26 O 0.65057587799540 0.95009803436172 0.15485295988299 15.999 > 25 27 O 0.15057587799540 0.95009803436172 0.65485295988299 15.999 > 25 28 O 0.65057587799540 0.95009803436172 0.65485295988299 15.999 > 25 29 O 0.09942412200460 0.04990196563828 0.40485295988299 15.999 > 29 30 O 0.59942412200460 0.04990196563828 0.40485295988299 15.999 > 29 31 O 0.09942412200460 0.04990196563828 0.90485295988299 15.999 > 29 32 O 0.59942412200460 0.04990196563828 0.90485295988299 15.999 > 29 33 O 0.01221543024497 0.25000000000000 0.20019624179128 15.999 > 33 34 O 0.51221543024497 0.25000000000000 0.20019624179128 15.999 > 33 35 O 0.01221543024497 0.25000000000000 0.70019624179128 15.999 > 33 36 O 0.51221543024497 0.25000000000000 0.70019624179128 15.999 > 33 37 O 0.23778456975503 0.75000000000000 0.45019624179128 15.999 > 37 38 O 0.73778456975503 0.75000000000000 0.45019624179128 15.999 > 37 39 O 0.23778456975503 0.75000000000000 0.95019624179128 15.999 > 37 40 O 0.73778456975503 0.75000000000000 0.95019624179128 15.999 > 37 41 O 0.26221543024497 0.25000000000000 0.04980375820872 15.999 > 41 42 O 0.76221543024497 0.25000000000000 0.04980375820872 15.999 > 41 43 O 0.26221543024497 0.25000000000000 0.54980375820872 15.999 > 41 44 O 0.76221543024497 0.25000000000000 0.54980375820872 15.999 > 41 45 O 0.48778456975503 0.75000000000000 0.29980375820872 15.999 > 45 46 O 0.98778456975503 0.75000000000000 0.29980375820872 15.999 > 45 47 O 0.48778456975503 0.75000000000000 0.79980375820872 15.999 > 45 48 O 0.98778456975503 0.75000000000000 0.79980375820872 15.999 > 45 49 Rh 0.00000000000000 0.50000000000000 0.25000000000000 102.906 > 49 50 Rh 0.50000000000000 0.50000000000000 0.25000000000000 102.906 > 49 51 Rh 0.00000000000000 0.50000000000000 0.75000000000000 102.906 > 49 52 Rh 0.50000000000000 0.50000000000000 0.75000000000000 102.906 > 49 53 Rh 0.25000000000000 0.50000000000000 0.00000000000000 102.906 > 53 54 Rh 0.75000000000000 0.50000000000000 0.00000000000000 102.906 > 53 55 Rh 0.25000000000000 0.50000000000000 0.50000000000000 102.906 > 53 56 Rh 0.75000000000000 0.50000000000000 0.50000000000000 102.906 > 53 57 Rh 0.25000000000000 0.00000000000000 0.00000000000000 102.906 > 57 58 Rh 0.75000000000000 0.00000000000000 0.00000000000000 102.906 > 57 59 Rh 0.25000000000000 0.00000000000000 0.50000000000000 102.906 > 57 60 Rh 0.75000000000000 0.00000000000000 0.50000000000000 102.906 > 57 61 Rh 0.00000000000000 0.00000000000000 0.25000000000000 102.906 > 61 62 Rh 0.50000000000000 0.00000000000000 0.25000000000000 102.906 > 61 63 Rh 0.00000000000000 0.00000000000000 0.75000000000000 102.906 > 61 64 Rh 0.50000000000000 0.00000000000000 0.75000000000000 102.906 > 61 65 La 0.28456202246447 0.75000000000000 0.24005556750189 138.905 > 65 66 La 0.78456202246447 0.75000000000000 0.24005556750189 138.905 > 65 67 La 0.28456202246447 0.75000000000000 0.74005556750189 138.905 > 65 68 La 0.78456202246447 0.75000000000000 0.74005556750189 138.905 > 65 69 La 0.46543797753553 0.25000000000000 0.49005556750189 138.905 > 69 70 La 0.96543797753553 0.25000000000000 0.49005556750189 138.905 > 69 71 La 0.46543797753553 0.25000000000000 0.99005556750189 138.905 > 69 72 La 0.96543797753553 0.25000000000000 0.99005556750189 138.905 > 69 73 La 0.03456202246447 0.75000000000000 0.00994443249811 138.905 > 73 74 La 0.53456202246447 0.75000000000000 0.00994443249811 138.905 > 73 75 La 0.03456202246447 0.75000000000000 0.50994443249811 138.905 > 73 76 La 0.53456202246447 0.75000000000000 0.50994443249811 138.905 > 73 77 La 0.21543797753553 0.25000000000000 0.25994443249811 138.905 > 77 78 La 0.71543797753553 0.25000000000000 0.25994443249811 138.905 > 77 79 La 0.21543797753553 0.25000000000000 0.75994443249811 138.905 > 77 80 La 0.71543797753553 0.25000000000000 0.75994443249811 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 15.0466242 0.0000000 0.0000000 0.0000000 13.2163373 0.0000000 0.0000000 0.0000000 14.0309387 -------------------------- Born effective charges -------------------------- 1 O -2.3483448 0.0200968 -0.7493878 0.0694563 -1.4940024 -0.2529128 -0.8686233 -0.3271525 -2.0231637 2 O -2.3483448 0.0200968 0.7493878 0.0694563 -1.4940024 0.2529128 0.8686233 0.3271525 -2.0231637 3 O -2.3483448 -0.0200968 0.7493878 -0.0694563 -1.4940024 -0.2529128 0.8686233 -0.3271525 -2.0231637 4 O -2.3483448 -0.0200968 -0.7493878 -0.0694563 -1.4940024 0.2529128 -0.8686233 0.3271525 -2.0231637 5 O -2.3483448 0.0200968 -0.7493878 0.0694563 -1.4940024 -0.2529128 -0.8686233 -0.3271525 -2.0231637 6 O -2.3483448 0.0200968 0.7493878 0.0694563 -1.4940024 0.2529128 0.8686233 0.3271525 -2.0231637 7 O -2.3483448 -0.0200968 0.7493878 -0.0694563 -1.4940024 -0.2529128 0.8686233 -0.3271525 -2.0231637 8 O -2.3483448 -0.0200968 -0.7493878 -0.0694563 -1.4940024 0.2529128 -0.8686233 0.3271525 -2.0231637 9 O -1.3297511 0.0000000 -0.4881292 0.0000000 -3.1519328 0.0000000 -0.6993809 0.0000000 -1.4136518 10 O -1.3297511 0.0000000 0.4881292 0.0000000 -3.1519328 0.0000000 0.6993809 0.0000000 -1.4136518 11 O -1.3297511 0.0000000 0.4881292 0.0000000 -3.1519328 0.0000000 0.6993809 0.0000000 -1.4136518 12 O -1.3297511 0.0000000 -0.4881292 0.0000000 -3.1519328 0.0000000 -0.6993809 0.0000000 -1.4136518 13 Rh 1.5159947 -0.2306467 0.9983773 -0.6678019 1.6479806 0.9323373 -0.4920159 -1.1336791 0.7944875 14 Rh 1.5159947 -0.2306467 -0.9983773 -0.6678019 1.6479806 -0.9323373 0.4920159 1.1336791 0.7944875 15 Rh 1.5159947 0.2306467 -0.9983773 0.6678019 1.6479806 0.9323373 0.4920159 -1.1336791 0.7944875 16 Rh 1.5159947 0.2306467 0.9983773 0.6678019 1.6479806 -0.9323373 -0.4920159 1.1336791 0.7944875 17 La 4.5104460 0.0000000 0.0165583 0.0000000 4.4919569 0.0000000 0.3539997 0.0000000 4.6654918 18 La 4.5104460 0.0000000 -0.0165583 0.0000000 4.4919569 0.0000000 -0.3539997 0.0000000 4.6654918 19 La 4.5104460 0.0000000 -0.0165583 0.0000000 4.4919569 0.0000000 -0.3539997 0.0000000 4.6654918 20 La 4.5104460 0.0000000 0.0165583 0.0000000 4.4919569 0.0000000 0.3539997 0.0000000 4.6654918 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 303, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.707 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 9.709 ( 0.000 0.000 0.000) 0.000 10.231 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 0.000) 0.000 11.269 ( 0.000 0.000 0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 12.292 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 12.845 ( 0.000 0.000 0.000) 0.000 13.972 ( 0.000 0.000 0.000) 0.000 13.982 ( 0.000 0.000 0.000) 0.000 14.163 ( 0.000 0.000 0.000) 0.000 14.251 ( 0.000 0.000 0.000) 0.000 14.342 ( 0.000 0.000 0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 15.050 ( 0.000 0.000 0.000) 0.000 15.364 ( 0.000 0.000 0.000) 0.000 15.627 ( 0.000 0.000 0.000) 0.000 15.937 ( 0.000 0.000 0.000) 0.000 16.084 ( 0.000 0.000 0.000) 0.000 16.111 ( 0.000 0.000 0.000) 0.000 16.166 ( 0.000 0.000 0.000) 0.000 16.174 ( 0.000 0.000 0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 16.774 ( 0.000 0.000 0.000) 0.000 16.875 ( 0.000 0.000 0.000) 0.000 17.597 ( 0.000 0.000 0.000) 0.000 17.619 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 27.663 0.000 0.000) 27.663 0.694 ( 35.202 0.000 0.000) 35.202 1.024 ( 51.406 0.000 0.000) 51.406 2.383 ( 3.477 0.000 0.000) 3.477 2.710 ( -3.592 0.000 0.000) 3.592 2.932 ( 4.617 0.000 0.000) 4.617 3.597 ( -0.978 0.000 0.000) 0.978 3.882 ( -3.315 0.000 0.000) 3.315 3.972 ( 5.501 0.000 0.000) 5.501 4.045 ( 1.544 0.000 0.000) 1.544 4.217 ( 0.605 0.000 0.000) 0.605 4.266 ( -6.911 0.000 0.000) 6.911 4.324 ( -3.949 0.000 0.000) 3.949 4.324 ( 7.703 0.000 0.000) 7.703 4.682 ( -5.611 0.000 0.000) 5.611 4.755 ( -10.269 0.000 0.000) 10.269 4.895 ( 11.771 0.000 0.000) 11.771 4.914 ( -5.618 0.000 0.000) 5.618 6.462 ( 3.292 0.000 0.000) 3.292 6.880 ( -9.087 0.000 0.000) 9.087 6.918 ( -2.252 0.000 0.000) 2.252 6.987 ( -12.361 0.000 0.000) 12.361 7.072 ( -3.976 0.000 0.000) 3.976 7.255 ( -2.543 0.000 0.000) 2.543 7.258 ( -3.501 0.000 0.000) 3.501 7.419 ( -6.797 0.000 0.000) 6.797 7.480 ( -1.724 0.000 0.000) 1.724 7.508 ( 7.984 0.000 0.000) 7.984 7.685 ( -4.937 0.000 0.000) 4.937 7.761 ( 8.401 0.000 0.000) 8.401 8.056 ( 7.970 0.000 0.000) 7.970 8.273 ( -3.375 0.000 0.000) 3.375 8.939 ( 12.840 0.000 0.000) 12.840 10.091 ( -10.492 0.000 0.000) 10.492 10.199 ( -3.134 0.000 0.000) 3.134 10.281 ( 0.667 0.000 0.000) 0.667 11.559 ( 25.433 0.000 0.000) 25.433 11.616 ( 1.754 0.000 0.000) 1.754 12.328 ( 3.665 0.000 0.000) 3.665 12.656 ( 0.848 0.000 0.000) 0.848 12.883 ( 3.960 0.000 0.000) 3.960 13.872 ( -10.296 0.000 0.000) 10.296 13.969 ( -1.474 0.000 0.000) 1.474 14.246 ( -0.540 0.000 0.000) 0.540 14.270 ( -1.860 0.000 0.000) 1.860 14.390 ( 4.637 0.000 0.000) 4.637 14.926 ( -1.358 0.000 0.000) 1.358 14.967 ( -8.418 0.000 0.000) 8.418 15.368 ( 0.513 0.000 0.000) 0.513 15.610 ( -1.657 0.000 0.000) 1.657 15.903 ( -3.158 0.000 0.000) 3.158 16.061 ( -2.196 0.000 0.000) 2.196 16.100 ( -1.083 0.000 0.000) 1.083 16.150 ( -1.747 0.000 0.000) 1.747 16.185 ( 1.118 0.000 0.000) 1.118 16.776 ( 0.226 0.000 0.000) 0.226 16.870 ( -0.551 0.000 0.000) 0.551 17.170 ( -5.185 0.000 0.000) 5.185 17.600 ( 0.271 0.000 0.000) 0.271 17.615 ( -0.414 0.000 0.000) 0.414 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 27.853 0.000 0.000) 27.853 1.342 ( 31.749 0.000 0.000) 31.749 1.919 ( 38.624 0.000 0.000) 38.624 2.460 ( 3.958 0.000 0.000) 3.958 2.679 ( 3.281 0.000 0.000) 3.281 3.055 ( 7.677 0.000 0.000) 7.677 3.543 ( -5.236 0.000 0.000) 5.236 3.759 ( -9.234 0.000 0.000) 9.234 3.906 ( -6.074 0.000 0.000) 6.074 4.080 ( -9.187 0.000 0.000) 9.187 4.219 ( -6.762 0.000 0.000) 6.762 4.235 ( -1.873 0.000 0.000) 1.873 4.294 ( 14.740 0.000 0.000) 14.740 4.380 ( -12.410 0.000 0.000) 12.410 4.547 ( -4.774 0.000 0.000) 4.774 4.676 ( 13.107 0.000 0.000) 13.107 4.807 ( -3.514 0.000 0.000) 3.514 5.206 ( 19.972 0.000 0.000) 19.972 6.526 ( 1.750 0.000 0.000) 1.750 6.671 ( -12.614 0.000 0.000) 12.614 6.706 ( -16.318 0.000 0.000) 16.318 6.818 ( -7.863 0.000 0.000) 7.863 6.992 ( -3.635 0.000 0.000) 3.635 7.166 ( -5.749 0.000 0.000) 5.749 7.211 ( -0.193 0.000 0.000) 0.193 7.268 ( -9.391 0.000 0.000) 9.391 7.387 ( -10.476 0.000 0.000) 10.476 7.570 ( -3.707 0.000 0.000) 3.707 7.692 ( 10.025 0.000 0.000) 10.025 7.913 ( 6.907 0.000 0.000) 6.907 8.226 ( 8.351 0.000 0.000) 8.351 8.256 ( 1.614 0.000 0.000) 1.614 9.181 ( 11.008 0.000 0.000) 11.008 9.964 ( -1.297 0.000 0.000) 1.297 10.109 ( -6.238 0.000 0.000) 6.238 10.290 ( 0.150 0.000 0.000) 0.150 11.689 ( 6.371 0.000 0.000) 6.371 12.103 ( 28.333 0.000 0.000) 28.333 12.422 ( 5.733 0.000 0.000) 5.733 12.699 ( 4.660 0.000 0.000) 4.660 12.993 ( 7.186 0.000 0.000) 7.186 13.588 ( -18.575 0.000 0.000) 18.575 13.917 ( -4.184 0.000 0.000) 4.184 14.216 ( -3.623 0.000 0.000) 3.623 14.226 ( -1.742 0.000 0.000) 1.742 14.498 ( 4.996 0.000 0.000) 4.996 14.746 ( -13.029 0.000 0.000) 13.029 14.897 ( -1.413 0.000 0.000) 1.413 15.384 ( 1.075 0.000 0.000) 1.075 15.567 ( -2.643 0.000 0.000) 2.643 15.831 ( -3.861 0.000 0.000) 3.861 16.009 ( -2.878 0.000 0.000) 2.878 16.071 ( -1.943 0.000 0.000) 1.943 16.097 ( -3.745 0.000 0.000) 3.745 16.221 ( 2.732 0.000 0.000) 2.732 16.782 ( 0.339 0.000 0.000) 0.339 16.855 ( -0.946 0.000 0.000) 0.946 17.029 ( -9.208 0.000 0.000) 9.208 17.606 ( -0.441 0.000 0.000) 0.441 17.606 ( 0.310 0.000 0.000) 0.310 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 26.803 0.000 0.000) 26.803 1.906 ( 26.582 0.000 0.000) 26.582 2.364 ( 9.748 0.000 0.000) 9.748 2.506 ( -0.239 0.000 0.000) 0.239 2.960 ( 22.727 0.000 0.000) 22.727 3.192 ( 4.433 0.000 0.000) 4.433 3.383 ( -11.108 0.000 0.000) 11.108 3.561 ( -9.021 0.000 0.000) 9.021 3.796 ( -4.567 0.000 0.000) 4.567 3.922 ( -7.005 0.000 0.000) 7.005 4.063 ( -16.494 0.000 0.000) 16.494 4.067 ( -8.943 0.000 0.000) 8.943 4.157 ( -5.598 0.000 0.000) 5.598 4.246 ( -10.623 0.000 0.000) 10.623 4.827 ( 24.909 0.000 0.000) 24.909 4.869 ( 11.918 0.000 0.000) 11.918 5.066 ( 23.882 0.000 0.000) 23.882 5.615 ( 19.997 0.000 0.000) 19.997 6.346 ( -21.881 0.000 0.000) 21.881 6.404 ( -13.683 0.000 0.000) 13.683 6.407 ( -15.273 0.000 0.000) 15.273 6.729 ( 0.449 0.000 0.000) 0.449 6.942 ( -1.767 0.000 0.000) 1.767 7.044 ( -13.866 0.000 0.000) 13.866 7.060 ( -4.914 0.000 0.000) 4.914 7.126 ( -13.992 0.000 0.000) 13.992 7.259 ( 4.714 0.000 0.000) 4.714 7.529 ( -1.980 0.000 0.000) 1.980 7.870 ( 8.108 0.000 0.000) 8.108 8.015 ( 3.540 0.000 0.000) 3.540 8.316 ( 3.953 0.000 0.000) 3.953 8.354 ( 4.721 0.000 0.000) 4.721 9.363 ( 8.759 0.000 0.000) 8.759 9.958 ( -9.386 0.000 0.000) 9.386 10.027 ( 6.292 0.000 0.000) 6.292 10.282 ( -1.124 0.000 0.000) 1.124 11.879 ( 13.625 0.000 0.000) 13.625 12.510 ( 10.982 0.000 0.000) 10.982 12.533 ( 5.318 0.000 0.000) 5.318 12.935 ( 22.015 0.000 0.000) 22.015 13.077 ( -10.478 0.000 0.000) 10.478 13.256 ( -3.401 0.000 0.000) 3.401 13.802 ( -7.703 0.000 0.000) 7.703 14.141 ( -3.726 0.000 0.000) 3.726 14.175 ( -3.366 0.000 0.000) 3.366 14.343 ( -19.188 0.000 0.000) 19.188 14.699 ( 6.008 0.000 0.000) 6.008 14.876 ( -0.875 0.000 0.000) 0.875 15.408 ( 1.321 0.000 0.000) 1.321 15.514 ( -2.697 0.000 0.000) 2.697 15.776 ( -1.249 0.000 0.000) 1.249 15.964 ( -1.549 0.000 0.000) 1.549 16.006 ( -5.589 0.000 0.000) 5.589 16.028 ( -2.379 0.000 0.000) 2.379 16.297 ( 5.350 0.000 0.000) 5.350 16.789 ( 0.445 0.000 0.000) 0.445 16.829 ( -11.147 0.000 0.000) 11.147 16.835 ( -1.077 0.000 0.000) 1.077 17.600 ( -0.082 0.000 0.000) 0.082 17.610 ( 0.059 0.000 0.000) 0.059 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 22.040 0.000 0.000) 22.040 2.339 ( 16.806 0.000 0.000) 16.806 2.404 ( -11.267 0.000 0.000) 11.267 2.477 ( 1.978 0.000 0.000) 1.978 3.140 ( -6.257 0.000 0.000) 6.257 3.160 ( -9.175 0.000 0.000) 9.175 3.339 ( 14.803 0.000 0.000) 14.803 3.504 ( -1.104 0.000 0.000) 1.104 3.755 ( 0.699 0.000 0.000) 0.699 3.812 ( -4.515 0.000 0.000) 4.515 3.823 ( -5.672 0.000 0.000) 5.672 3.888 ( -8.800 0.000 0.000) 8.800 4.060 ( -3.076 0.000 0.000) 3.076 4.080 ( -5.353 0.000 0.000) 5.353 5.269 ( 27.561 0.000 0.000) 27.561 5.323 ( 25.312 0.000 0.000) 25.312 5.541 ( 23.544 0.000 0.000) 23.544 5.733 ( -13.080 0.000 0.000) 13.080 5.855 ( -27.415 0.000 0.000) 27.415 6.027 ( -22.676 0.000 0.000) 22.676 6.358 ( 13.705 0.000 0.000) 13.705 6.712 ( -18.933 0.000 0.000) 18.933 6.780 ( 4.304 0.000 0.000) 4.304 6.903 ( -8.845 0.000 0.000) 8.845 6.946 ( 0.863 0.000 0.000) 0.863 6.984 ( -2.968 0.000 0.000) 2.968 7.369 ( 6.012 0.000 0.000) 6.012 7.471 ( -4.275 0.000 0.000) 4.275 7.994 ( 4.636 0.000 0.000) 4.636 8.044 ( -0.540 0.000 0.000) 0.540 8.385 ( 2.654 0.000 0.000) 2.654 8.405 ( 0.689 0.000 0.000) 0.689 9.546 ( 10.439 0.000 0.000) 10.439 9.757 ( -11.123 0.000 0.000) 11.123 10.152 ( 5.898 0.000 0.000) 5.898 10.241 ( -3.261 0.000 0.000) 3.261 12.212 ( 20.707 0.000 0.000) 20.707 12.610 ( 2.340 0.000 0.000) 2.340 12.614 ( 2.033 0.000 0.000) 2.033 12.655 ( -24.451 0.000 0.000) 24.451 13.412 ( 11.141 0.000 0.000) 11.141 13.432 ( 26.645 0.000 0.000) 26.645 13.625 ( -10.498 0.000 0.000) 10.498 13.921 ( -23.912 0.000 0.000) 23.912 14.092 ( -0.908 0.000 0.000) 0.908 14.112 ( -2.685 0.000 0.000) 2.685 14.804 ( 4.123 0.000 0.000) 4.123 14.856 ( -1.497 0.000 0.000) 1.497 15.434 ( 1.485 0.000 0.000) 1.485 15.468 ( -2.079 0.000 0.000) 2.079 15.796 ( 3.323 0.000 0.000) 3.323 15.891 ( -5.977 0.000 0.000) 5.977 15.955 ( 0.657 0.000 0.000) 0.657 15.984 ( -2.089 0.000 0.000) 2.089 16.429 ( 8.367 0.000 0.000) 8.367 16.615 ( -10.681 0.000 0.000) 10.681 16.800 ( 0.666 0.000 0.000) 0.666 16.815 ( -0.938 0.000 0.000) 0.938 17.602 ( 0.264 0.000 0.000) 0.264 17.608 ( -0.248 0.000 0.000) 0.248 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.000 21.112 0.000) 21.112 0.691 ( 0.000 31.903 0.000) 31.903 1.422 ( 0.000 64.543 0.000) 64.543 2.237 ( 0.000 -11.559 0.000) 11.559 2.659 ( 0.000 -8.861 0.000) 8.861 2.908 ( 0.000 4.640 0.000) 4.640 3.498 ( 0.000 0.693 0.000) 0.693 3.934 ( 0.000 4.237 0.000) 4.237 3.952 ( 0.000 0.980 0.000) 0.980 3.989 ( 0.000 -3.837 0.000) 3.837 4.060 ( 0.000 -13.356 0.000) 13.356 4.253 ( 0.000 -0.221 0.000) 0.221 4.452 ( 0.000 3.571 0.000) 3.571 4.564 ( 0.000 -1.291 0.000) 1.291 4.677 ( 0.000 -8.616 0.000) 8.616 4.757 ( 0.000 -4.264 0.000) 4.264 5.059 ( 0.000 23.177 0.000) 23.177 5.108 ( 0.000 7.289 0.000) 7.289 6.272 ( 0.000 -11.042 0.000) 11.042 6.900 ( 0.000 -2.311 0.000) 2.311 6.982 ( 0.000 -0.968 0.000) 0.968 7.047 ( 0.000 -5.549 0.000) 5.549 7.087 ( 0.000 -3.930 0.000) 3.930 7.195 ( 0.000 -13.479 0.000) 13.479 7.231 ( 0.000 -0.658 0.000) 0.658 7.288 ( 0.000 0.514 0.000) 0.514 7.506 ( 0.000 -4.909 0.000) 4.909 7.712 ( 0.000 -1.066 0.000) 1.066 7.925 ( 0.000 11.955 0.000) 11.955 8.014 ( 0.000 7.160 0.000) 7.160 8.143 ( 0.000 0.336 0.000) 0.336 8.580 ( 0.000 16.153 0.000) 16.153 8.739 ( 0.000 -4.094 0.000) 4.094 9.656 ( 0.000 -4.973 0.000) 4.973 10.251 ( 0.000 1.977 0.000) 1.977 10.328 ( 0.000 4.465 0.000) 4.465 11.353 ( 0.000 7.034 0.000) 7.034 11.607 ( 0.000 0.440 0.000) 0.440 12.375 ( 0.000 7.939 0.000) 7.939 12.714 ( 0.000 6.572 0.000) 6.572 12.875 ( 0.000 2.697 0.000) 2.697 13.869 ( 0.000 -7.452 0.000) 7.452 14.038 ( 0.000 4.295 0.000) 4.295 14.094 ( 0.000 -7.023 0.000) 7.023 14.239 ( 0.000 -9.541 0.000) 9.541 14.359 ( 0.000 8.057 0.000) 8.057 14.675 ( 0.000 -7.457 0.000) 7.457 15.010 ( 0.000 -3.589 0.000) 3.589 15.383 ( 0.000 1.868 0.000) 1.868 15.680 ( 0.000 2.788 0.000) 2.788 15.872 ( 0.000 -5.702 0.000) 5.702 16.090 ( 0.000 0.501 0.000) 0.501 16.110 ( 0.000 -0.198 0.000) 0.198 16.164 ( 0.000 -0.198 0.000) 0.198 16.164 ( 0.000 -0.863 0.000) 0.863 16.365 ( 0.000 -7.522 0.000) 7.522 16.833 ( 0.000 5.359 0.000) 5.359 17.544 ( 0.000 -4.868 0.000) 4.868 17.672 ( 0.000 4.453 0.000) 4.453 17.994 ( 0.000 -1.282 0.000) 1.282 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 29.530 11.213 0.000) 31.588 0.991 ( 21.521 23.855 0.000) 32.128 1.664 ( 25.039 51.818 0.000) 57.551 2.300 ( 6.012 -9.478 0.000) 11.224 2.617 ( -2.719 -7.649 0.000) 8.118 2.931 ( 2.381 2.811 0.000) 3.684 3.551 ( 2.197 -1.529 0.000) 2.677 3.891 ( -4.826 -2.491 0.000) 5.431 3.966 ( -2.993 0.244 0.000) 3.003 4.048 ( -1.368 -12.281 0.000) 12.357 4.064 ( 11.214 3.586 0.000) 11.774 4.314 ( 6.842 -1.002 0.000) 6.914 4.352 ( -8.388 2.217 0.000) 8.676 4.619 ( 3.384 7.361 0.000) 8.101 4.654 ( -9.652 -4.201 0.000) 10.527 4.806 ( 10.927 -7.147 0.000) 13.057 4.906 ( -13.464 8.181 0.000) 15.755 5.011 ( -4.963 24.083 0.000) 24.589 6.315 ( 3.985 -11.684 0.000) 12.345 6.806 ( -6.745 -3.329 0.000) 7.522 6.899 ( -8.186 -0.773 0.000) 8.223 6.930 ( -10.516 -5.014 0.000) 11.650 7.034 ( -4.563 -3.667 0.000) 5.854 7.213 ( 1.243 -10.968 0.000) 11.039 7.226 ( -0.908 -0.896 0.000) 1.276 7.291 ( -1.558 -1.049 0.000) 1.878 7.463 ( -4.874 -3.351 0.000) 5.914 7.654 ( -6.291 -4.103 0.000) 7.510 7.879 ( -9.732 18.298 0.000) 20.725 7.974 ( 4.342 12.836 0.000) 13.550 8.092 ( 7.502 4.665 0.000) 8.834 8.383 ( -7.818 8.610 0.000) 11.630 8.955 ( 15.128 2.750 0.000) 15.375 9.881 ( 5.531 -12.742 0.000) 13.890 10.235 ( -1.923 2.829 0.000) 3.421 10.323 ( -0.426 3.732 0.000) 3.757 11.557 ( 17.075 1.534 0.000) 17.143 11.641 ( 6.909 1.911 0.000) 7.168 12.406 ( 3.102 7.422 0.000) 8.044 12.718 ( 0.547 6.480 0.000) 6.503 12.914 ( 3.963 2.705 0.000) 4.798 13.804 ( -7.175 -5.411 0.000) 8.986 14.023 ( -1.257 4.587 0.000) 4.756 14.136 ( 1.093 -9.916 0.000) 9.976 14.246 ( -0.365 -6.322 0.000) 6.332 14.359 ( 1.297 2.776 0.000) 3.064 14.747 ( 3.693 -11.122 0.000) 11.719 14.929 ( -8.282 -3.494 0.000) 8.989 15.389 ( 0.563 1.911 0.000) 1.992 15.651 ( -2.284 3.317 0.000) 4.027 15.846 ( -2.489 -5.083 0.000) 5.659 16.067 ( -2.144 0.551 0.000) 2.214 16.098 ( -1.303 -0.438 0.000) 1.375 16.145 ( -1.708 -0.318 0.000) 1.737 16.169 ( 0.562 -1.359 0.000) 1.471 16.484 ( 7.818 -14.077 0.000) 16.102 16.835 ( 0.258 5.376 0.000) 5.382 17.547 ( 0.280 -4.866 0.000) 4.874 17.592 ( -13.137 9.174 0.000) 16.023 17.728 ( -10.160 9.307 0.000) 13.778 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 19.325 20.632 0.000) 28.269 1.407 ( 29.803 6.078 0.000) 30.417 2.234 ( 26.023 27.211 0.000) 37.652 2.436 ( 7.214 -4.188 0.000) 8.342 2.629 ( 7.941 -2.942 0.000) 8.469 3.003 ( 5.142 -1.851 0.000) 5.466 3.529 ( -4.739 -1.167 0.000) 4.880 3.742 ( -10.755 -2.602 0.000) 11.065 3.868 ( -6.300 -1.420 0.000) 6.458 4.001 ( -3.296 -10.966 0.000) 11.451 4.167 ( -10.187 3.514 0.000) 10.776 4.303 ( -14.276 -3.155 0.000) 14.621 4.374 ( 19.676 3.302 0.000) 19.951 4.571 ( -10.482 20.805 0.000) 23.297 4.635 ( 14.439 -0.782 0.000) 14.460 4.750 ( 3.236 -2.428 0.000) 4.046 4.880 ( -7.560 25.140 0.000) 26.252 5.138 ( 20.693 -6.358 0.000) 21.647 6.397 ( 3.193 -10.712 0.000) 11.178 6.654 ( -10.677 -2.571 0.000) 10.983 6.687 ( -14.182 -2.026 0.000) 14.326 6.708 ( -9.785 -5.443 0.000) 11.197 6.956 ( -3.174 -3.061 0.000) 4.409 7.166 ( -5.457 -1.542 0.000) 5.671 7.197 ( -4.228 -5.951 0.000) 7.300 7.238 ( -2.110 0.492 0.000) 2.166 7.307 ( -11.726 -4.915 0.000) 12.714 7.504 ( -7.149 -6.609 0.000) 9.736 7.865 ( 4.950 13.340 0.000) 14.229 8.069 ( 4.884 11.108 0.000) 12.135 8.251 ( 7.877 2.556 0.000) 8.281 8.312 ( -0.122 4.322 0.000) 4.324 9.232 ( 12.613 5.058 0.000) 13.589 9.916 ( 2.205 -4.171 0.000) 4.718 10.167 ( -5.341 4.619 0.000) 7.062 10.314 ( -0.619 2.200 0.000) 2.286 11.701 ( 7.230 1.303 0.000) 7.347 12.086 ( 27.822 -2.000 0.000) 27.894 12.486 ( 5.024 6.226 0.000) 8.000 12.743 ( 2.439 5.509 0.000) 6.025 13.020 ( 6.598 2.241 0.000) 6.968 13.581 ( -15.803 -0.646 0.000) 15.816 13.982 ( -3.185 5.666 0.000) 6.500 14.120 ( -2.263 -8.716 0.000) 9.005 14.206 ( -3.208 -3.048 0.000) 4.425 14.427 ( 3.997 -5.094 0.000) 6.475 14.712 ( -12.705 -3.043 0.000) 13.064 14.778 ( 0.173 -9.844 0.000) 9.846 15.405 ( 1.075 1.932 0.000) 2.210 15.602 ( -2.806 3.216 0.000) 4.268 15.787 ( -3.265 -3.922 0.000) 5.103 16.018 ( -2.690 0.779 0.000) 2.800 16.056 ( -3.161 -1.550 0.000) 3.521 16.102 ( -2.529 0.618 0.000) 2.603 16.192 ( 2.100 -2.376 0.000) 3.171 16.583 ( 2.324 -14.260 0.000) 14.448 16.843 ( 0.495 5.493 0.000) 5.515 17.297 ( -13.663 13.228 0.000) 19.018 17.554 ( 0.383 -4.808 0.000) 4.824 17.643 ( -2.708 2.664 0.000) 3.798 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 19.918 12.294 0.000) 23.406 1.939 ( 24.711 3.199 0.000) 24.917 2.482 ( 6.531 8.314 0.000) 10.573 2.544 ( 3.215 2.061 0.000) 3.819 2.974 ( 18.527 2.318 0.000) 18.671 3.117 ( 5.904 -6.298 0.000) 8.633 3.371 ( -11.142 -1.192 0.000) 11.205 3.485 ( -15.197 -3.936 0.000) 15.699 3.759 ( -4.180 -2.526 0.000) 4.884 3.938 ( -3.397 -5.990 0.000) 6.887 3.979 ( -8.937 2.937 0.000) 9.408 3.988 ( -14.834 -2.592 0.000) 15.059 4.396 ( -5.566 17.360 0.000) 18.230 4.651 ( -6.518 28.014 0.000) 28.762 4.843 ( 22.551 2.069 0.000) 22.646 4.915 ( 14.571 5.572 0.000) 15.600 5.054 ( 23.100 -0.655 0.000) 23.109 5.570 ( 21.941 -4.512 0.000) 22.400 6.312 ( -13.541 -5.827 0.000) 14.741 6.369 ( -19.799 1.884 0.000) 19.889 6.401 ( -14.715 -2.108 0.000) 14.866 6.610 ( 1.020 -10.036 0.000) 10.088 6.907 ( -3.566 -3.220 0.000) 4.805 7.010 ( -13.091 -3.062 0.000) 13.445 7.057 ( -12.461 -5.251 0.000) 13.523 7.063 ( -4.599 -0.844 0.000) 4.676 7.230 ( 1.530 -2.462 0.000) 2.899 7.417 ( -2.732 -9.623 0.000) 10.004 7.987 ( 6.666 9.561 0.000) 11.655 8.142 ( 2.398 9.515 0.000) 9.813 8.350 ( 3.284 2.643 0.000) 4.215 8.374 ( 4.695 1.896 0.000) 5.064 9.439 ( 9.662 6.867 0.000) 11.854 10.011 ( 6.895 -1.590 0.000) 7.075 10.030 ( -8.775 6.024 0.000) 10.644 10.293 ( -1.713 0.990 0.000) 1.978 11.905 ( 14.226 2.635 0.000) 14.468 12.553 ( 16.291 1.462 0.000) 16.357 12.586 ( 4.946 5.168 0.000) 7.153 12.863 ( 13.222 -2.831 0.000) 13.521 13.082 ( -9.263 0.194 0.000) 9.265 13.291 ( -4.891 3.288 0.000) 5.893 13.899 ( -5.209 7.827 0.000) 9.402 14.066 ( -2.838 -7.106 0.000) 7.652 14.131 ( -4.763 -4.897 0.000) 6.831 14.311 ( -16.154 -2.225 0.000) 16.307 14.630 ( 4.444 -6.006 0.000) 7.471 14.774 ( -0.379 -8.856 0.000) 8.864 15.428 ( 1.321 1.879 0.000) 2.297 15.546 ( -2.897 2.952 0.000) 4.137 15.741 ( -0.950 -3.095 0.000) 3.237 15.973 ( -5.403 -2.547 0.000) 5.973 15.977 ( -1.258 1.227 0.000) 1.757 16.053 ( -2.559 1.676 0.000) 3.059 16.255 ( 4.468 -3.554 0.000) 5.709 16.579 ( -2.622 -11.844 0.000) 12.131 16.856 ( 0.921 5.887 0.000) 5.958 17.077 ( -9.221 11.162 0.000) 14.478 17.561 ( 0.301 -4.559 0.000) 4.569 17.600 ( -1.760 -0.382 0.000) 1.801 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 16.632 4.178 0.000) 17.148 2.281 ( 5.594 -0.787 0.000) 5.649 2.571 ( 2.790 10.125 0.000) 10.502 2.603 ( 4.339 10.134 0.000) 11.024 3.134 ( -6.232 -6.780 0.000) 9.209 3.157 ( -6.074 1.275 0.000) 6.207 3.206 ( 2.444 -5.523 0.000) 6.039 3.244 ( -3.871 -16.809 0.000) 17.249 3.737 ( 2.431 -1.621 0.000) 2.922 3.807 ( -3.245 -0.690 0.000) 3.318 3.826 ( -6.077 0.524 0.000) 6.100 3.850 ( -5.876 -1.749 0.000) 6.131 4.383 ( 3.446 26.027 0.000) 26.254 4.494 ( -7.541 30.293 0.000) 31.217 5.325 ( 24.863 0.298 0.000) 24.865 5.332 ( 27.367 5.909 0.000) 27.998 5.523 ( 24.251 -1.641 0.000) 24.307 5.735 ( -12.301 0.292 0.000) 12.305 5.905 ( -27.585 4.610 0.000) 27.968 5.984 ( -21.113 -3.614 0.000) 21.420 6.293 ( 13.102 -5.873 0.000) 14.359 6.652 ( -18.874 -5.703 0.000) 19.717 6.677 ( 5.137 -9.014 0.000) 10.375 6.815 ( -9.664 -6.633 0.000) 11.722 6.950 ( 0.846 -0.795 0.000) 1.161 6.990 ( -3.016 -0.310 0.000) 3.032 7.289 ( 3.992 -6.465 0.000) 7.598 7.363 ( -3.325 -8.997 0.000) 9.591 8.098 ( 4.543 8.400 0.000) 9.550 8.154 ( -1.164 8.574 0.000) 8.652 8.410 ( 2.399 2.059 0.000) 3.162 8.427 ( 0.839 1.862 0.000) 2.042 9.630 ( 10.497 7.443 0.000) 12.868 9.838 ( -10.751 7.004 0.000) 12.832 10.144 ( 6.282 -0.852 0.000) 6.340 10.241 ( -3.778 -0.025 0.000) 3.778 12.244 ( 20.534 3.117 0.000) 20.769 12.629 ( -8.618 2.474 0.000) 8.966 12.692 ( 1.953 6.808 0.000) 7.083 12.728 ( -12.183 6.047 0.000) 13.602 13.219 ( 17.523 -12.589 0.000) 21.576 13.356 ( 2.893 -4.485 0.000) 5.337 13.811 ( -1.849 10.248 0.000) 10.414 13.946 ( -14.852 0.162 0.000) 14.853 14.034 ( -0.029 -5.159 0.000) 5.159 14.075 ( -4.660 -1.834 0.000) 5.008 14.718 ( 3.574 -7.648 0.000) 8.442 14.761 ( -1.143 -8.340 0.000) 8.418 15.456 ( 1.654 2.015 0.000) 2.607 15.494 ( -2.363 2.471 0.000) 3.419 15.764 ( 3.389 -2.781 0.000) 4.384 15.859 ( -5.937 -2.737 0.000) 6.538 15.974 ( 0.899 1.691 0.000) 1.915 16.006 ( -2.221 1.893 0.000) 2.918 16.362 ( 6.469 -5.396 0.000) 8.424 16.490 ( -6.224 -8.509 0.000) 10.542 16.882 ( 2.017 6.889 0.000) 7.178 16.944 ( -4.720 8.906 0.000) 10.079 17.566 ( 0.311 -3.907 0.000) 3.920 17.576 ( -0.794 -2.586 0.000) 2.705 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 22.267 0.000) 22.267 1.345 ( 0.000 29.259 0.000) 29.259 1.870 ( 0.000 -21.233 0.000) 21.233 2.376 ( 0.000 -17.444 0.000) 17.444 2.699 ( 0.000 54.048 0.000) 54.048 3.114 ( 0.000 13.561 0.000) 13.561 3.526 ( 0.000 2.099 0.000) 2.099 3.747 ( 0.000 -13.156 0.000) 13.156 3.791 ( 0.000 -10.807 0.000) 10.807 4.028 ( 0.000 4.255 0.000) 4.255 4.094 ( 0.000 5.061 0.000) 5.061 4.256 ( 0.000 1.976 0.000) 1.976 4.329 ( 0.000 -21.258 0.000) 21.258 4.512 ( 0.000 2.268 0.000) 2.268 4.577 ( 0.000 -1.053 0.000) 1.053 4.607 ( 0.000 -9.024 0.000) 9.024 5.304 ( 0.000 11.069 0.000) 11.069 5.702 ( 0.000 34.114 0.000) 34.114 5.957 ( 0.000 -17.419 0.000) 17.419 6.866 ( 0.000 -0.464 0.000) 0.464 6.902 ( 0.000 -15.606 0.000) 15.606 6.930 ( 0.000 -4.465 0.000) 4.465 6.938 ( 0.000 -2.829 0.000) 2.829 6.968 ( 0.000 -7.113 0.000) 7.113 7.232 ( 0.000 0.707 0.000) 0.707 7.280 ( 0.000 -1.069 0.000) 1.069 7.444 ( 0.000 -1.231 0.000) 1.231 7.564 ( 0.000 -8.104 0.000) 8.104 8.151 ( 0.000 8.511 0.000) 8.511 8.200 ( 0.000 6.996 0.000) 6.996 8.240 ( 0.000 7.762 0.000) 7.762 8.613 ( 0.000 -7.527 0.000) 7.527 8.935 ( 0.000 16.348 0.000) 16.348 9.500 ( 0.000 -9.527 0.000) 9.527 10.315 ( 0.000 3.826 0.000) 3.826 10.407 ( 0.000 1.916 0.000) 1.916 11.511 ( 0.000 6.441 0.000) 6.441 11.616 ( 0.000 0.141 0.000) 0.141 12.624 ( 0.000 14.568 0.000) 14.568 12.939 ( 0.000 2.308 0.000) 2.308 12.958 ( 0.000 16.701 0.000) 16.701 13.717 ( 0.000 -5.738 0.000) 5.738 13.838 ( 0.000 -17.282 0.000) 17.282 13.961 ( 0.000 -15.215 0.000) 15.215 14.160 ( 0.000 6.806 0.000) 6.806 14.491 ( 0.000 -8.828 0.000) 8.828 14.549 ( 0.000 9.369 0.000) 9.369 14.903 ( 0.000 -6.354 0.000) 6.354 15.446 ( 0.000 4.089 0.000) 4.089 15.719 ( 0.000 -7.936 0.000) 7.936 15.770 ( 0.000 5.769 0.000) 5.769 16.080 ( 0.000 -4.260 0.000) 4.260 16.103 ( 0.000 0.755 0.000) 0.755 16.143 ( 0.000 -1.064 0.000) 1.064 16.159 ( 0.000 -0.266 0.000) 0.266 16.197 ( 0.000 -5.678 0.000) 5.678 16.989 ( 0.000 8.934 0.000) 8.934 17.398 ( 0.000 -8.563 0.000) 8.563 17.780 ( 0.000 5.191 0.000) 5.191 17.952 ( 0.000 -2.646 0.000) 2.646 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 20.912 17.460 0.000) 27.242 1.503 ( 13.998 24.159 0.000) 27.921 1.976 ( 10.265 -19.282 0.000) 21.844 2.377 ( 0.518 -14.436 0.000) 14.445 2.794 ( 9.621 49.156 0.000) 50.089 3.103 ( -1.044 12.320 0.000) 12.364 3.542 ( 0.533 0.776 0.000) 0.941 3.701 ( -4.475 -12.540 0.000) 13.314 3.789 ( -0.115 -10.323 0.000) 10.324 4.070 ( -1.698 6.626 0.000) 6.840 4.162 ( 9.421 5.192 0.000) 10.757 4.280 ( 4.714 -1.925 0.000) 5.092 4.291 ( -4.068 -11.531 0.000) 12.227 4.522 ( -7.468 -7.830 0.000) 10.820 4.595 ( 6.470 -3.364 0.000) 7.292 4.635 ( 7.624 -5.320 0.000) 9.297 5.224 ( -6.850 16.588 0.000) 17.947 5.659 ( -4.342 34.000 0.000) 34.276 5.992 ( 3.498 -18.048 0.000) 18.383 6.775 ( -8.061 0.132 0.000) 8.062 6.776 ( -8.899 -10.997 0.000) 14.146 6.858 ( -8.372 -2.695 0.000) 8.795 6.929 ( -2.418 -4.709 0.000) 5.293 7.006 ( 3.313 -8.998 0.000) 9.588 7.216 ( -1.868 0.030 0.000) 1.868 7.255 ( -2.386 -1.781 0.000) 2.978 7.404 ( -4.982 -1.822 0.000) 5.305 7.496 ( -7.033 -7.894 0.000) 10.572 8.164 ( -4.582 10.723 0.000) 11.661 8.199 ( 4.364 7.593 0.000) 8.758 8.230 ( 3.179 6.236 0.000) 7.000 8.479 ( -8.615 -1.305 0.000) 8.714 9.115 ( 14.562 11.826 0.000) 18.759 9.636 ( 9.582 -11.004 0.000) 14.591 10.308 ( -0.887 3.924 0.000) 4.023 10.396 ( -1.146 1.968 0.000) 2.277 11.612 ( 7.477 2.927 0.000) 8.030 11.677 ( 9.448 0.886 0.000) 9.490 12.641 ( 1.791 13.968 0.000) 14.082 12.964 ( 0.626 16.874 0.000) 16.886 12.974 ( 3.479 1.818 0.000) 3.925 13.689 ( -3.128 -4.093 0.000) 5.152 13.846 ( 0.515 -17.647 0.000) 17.655 13.986 ( 2.201 -15.149 0.000) 15.308 14.156 ( -0.535 7.198 0.000) 7.218 14.496 ( -4.974 8.040 0.000) 9.454 14.516 ( 1.910 -10.127 0.000) 10.305 14.824 ( -7.943 -6.180 0.000) 10.064 15.451 ( 0.538 4.015 0.000) 4.051 15.708 ( -1.111 -7.268 0.000) 7.352 15.751 ( -1.900 6.084 0.000) 6.374 16.057 ( -2.310 -4.421 0.000) 4.988 16.083 ( -1.893 0.924 0.000) 2.107 16.136 ( -0.496 -1.537 0.000) 1.615 16.144 ( -0.849 0.387 0.000) 0.933 16.251 ( 4.112 -7.629 0.000) 8.667 16.992 ( 0.300 8.944 0.000) 8.949 17.401 ( 0.298 -8.560 0.000) 8.565 17.723 ( -6.574 4.958 0.000) 8.234 17.832 ( -9.737 1.011 0.000) 9.789 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 25.122 11.579 0.000) 27.662 1.786 ( 13.987 18.018 0.000) 22.810 2.224 ( 14.256 -14.655 0.000) 20.445 2.413 ( 3.668 -9.143 0.000) 9.852 3.016 ( 10.568 30.910 0.000) 32.667 3.081 ( -1.053 8.827 0.000) 8.890 3.496 ( -5.998 -2.093 0.000) 6.352 3.582 ( -7.902 -11.065 0.000) 13.597 3.815 ( 3.798 -3.196 0.000) 4.963 3.932 ( -10.194 6.146 0.000) 11.904 4.174 ( -7.936 -3.348 0.000) 8.613 4.212 ( -14.062 -5.272 0.000) 15.018 4.449 ( 19.148 3.496 0.000) 19.465 4.592 ( 16.574 -2.833 0.000) 16.814 4.660 ( 2.102 -0.777 0.000) 2.241 4.932 ( 20.836 -10.266 0.000) 23.228 5.127 ( -0.995 23.222 0.000) 23.243 5.544 ( -7.280 34.044 0.000) 34.814 6.082 ( 5.331 -18.874 0.000) 19.612 6.589 ( -10.159 -8.866 0.000) 13.484 6.592 ( -11.017 -1.574 0.000) 11.129 6.636 ( -14.042 -2.525 0.000) 14.267 6.891 ( -1.385 -2.130 0.000) 2.540 7.053 ( 1.065 -7.823 0.000) 7.895 7.140 ( -5.404 -0.360 0.000) 5.416 7.208 ( -2.591 -2.532 0.000) 3.622 7.218 ( -14.553 -3.076 0.000) 14.874 7.314 ( -10.939 -8.686 0.000) 13.968 8.134 ( 1.519 10.859 0.000) 10.965 8.280 ( 3.652 7.458 0.000) 8.304 8.324 ( 5.830 3.575 0.000) 6.838 8.377 ( -1.743 0.478 0.000) 1.807 9.398 ( 13.659 10.017 0.000) 16.938 9.797 ( 7.671 -7.000 0.000) 10.384 10.271 ( -3.332 4.693 0.000) 5.755 10.364 ( -2.186 1.590 0.000) 2.703 11.755 ( 9.554 4.015 0.000) 10.363 12.003 ( 21.223 -5.694 0.000) 21.974 12.690 ( 3.120 12.379 0.000) 12.766 12.983 ( 1.341 16.965 0.000) 17.018 13.056 ( 4.161 -0.258 0.000) 4.169 13.581 ( -8.374 1.784 0.000) 8.562 13.846 ( -0.626 -17.097 0.000) 17.109 14.014 ( -0.595 -14.172 0.000) 14.185 14.135 ( -1.610 8.273 0.000) 8.428 14.398 ( -4.065 2.745 0.000) 4.905 14.542 ( 0.632 -11.168 0.000) 11.186 14.621 ( -11.935 -5.354 0.000) 13.081 15.465 ( 0.862 3.708 0.000) 3.807 15.680 ( -1.658 -5.706 0.000) 5.942 15.703 ( -3.001 6.188 0.000) 6.877 15.994 ( -4.244 -4.691 0.000) 6.326 16.042 ( -2.079 1.478 0.000) 2.551 16.126 ( -1.074 1.685 0.000) 1.998 16.134 ( 0.597 -2.791 0.000) 2.855 16.322 ( 2.761 -9.684 0.000) 10.070 17.001 ( 0.685 9.000 0.000) 9.026 17.409 ( 0.550 -8.487 0.000) 8.505 17.518 ( -12.553 7.816 0.000) 14.788 17.679 ( -6.505 0.110 0.000) 6.505 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 12.113 13.374 0.000) 18.045 2.050 ( 20.873 7.408 0.000) 22.148 2.486 ( 12.240 -8.701 0.000) 15.017 2.529 ( 8.516 -5.518 0.000) 10.148 3.060 ( -1.554 3.340 0.000) 3.684 3.104 ( -1.878 8.431 0.000) 8.638 3.328 ( -10.158 -2.864 0.000) 10.554 3.387 ( -12.490 -6.660 0.000) 14.155 3.751 ( -6.839 2.490 0.000) 7.279 3.886 ( 0.338 1.461 0.000) 1.499 3.930 ( -12.802 -3.427 0.000) 13.253 4.000 ( -9.553 -0.827 0.000) 9.589 4.787 ( 13.162 17.246 0.000) 21.695 4.871 ( 23.971 2.434 0.000) 24.094 4.983 ( 22.189 -1.727 0.000) 22.256 5.182 ( 8.901 20.165 0.000) 22.042 5.398 ( -7.175 33.751 0.000) 34.505 5.413 ( 25.782 -10.185 0.000) 27.721 6.149 ( -2.359 -13.175 0.000) 13.384 6.340 ( -15.887 -3.333 0.000) 16.233 6.359 ( -9.920 -9.054 0.000) 13.431 6.379 ( -12.527 -3.670 0.000) 13.054 6.812 ( -14.683 -4.578 0.000) 15.380 6.924 ( -8.059 -4.483 0.000) 9.222 6.969 ( -11.537 -2.346 0.000) 11.773 7.045 ( -4.008 0.122 0.000) 4.010 7.159 ( -1.957 -3.946 0.000) 4.405 7.160 ( -2.137 -12.728 0.000) 12.907 8.200 ( 4.544 9.145 0.000) 10.212 8.333 ( 1.659 7.288 0.000) 7.474 8.393 ( 2.588 0.497 0.000) 2.635 8.422 ( 3.903 2.029 0.000) 4.399 9.628 ( 10.585 9.982 0.000) 14.550 9.952 ( 8.400 -4.161 0.000) 9.374 10.172 ( -6.867 6.471 0.000) 9.436 10.312 ( -3.331 0.256 0.000) 3.341 12.001 ( 15.891 6.583 0.000) 17.200 12.428 ( 21.704 -11.097 0.000) 24.376 12.753 ( 3.053 10.024 0.000) 10.479 13.016 ( 2.188 15.788 0.000) 15.939 13.066 ( -6.120 -2.271 0.000) 6.528 13.403 ( -7.473 7.569 0.000) 10.637 13.821 ( -1.837 -15.505 0.000) 15.613 13.935 ( -7.143 -13.207 0.000) 15.015 14.098 ( -1.923 9.805 0.000) 9.992 14.291 ( -9.080 0.824 0.000) 9.118 14.480 ( -0.257 -7.199 0.000) 7.203 14.546 ( -0.085 -11.456 0.000) 11.456 15.484 ( 1.219 3.323 0.000) 3.540 15.638 ( -3.602 5.583 0.000) 6.644 15.658 ( -0.100 -4.360 0.000) 4.361 15.896 ( -5.728 -4.755 0.000) 7.445 16.015 ( -0.435 2.400 0.000) 2.439 16.100 ( -1.706 2.884 0.000) 3.351 16.166 ( 2.713 -4.400 0.000) 5.169 16.345 ( -0.471 -9.588 0.000) 9.600 17.020 ( 1.415 9.146 0.000) 9.254 17.297 ( -9.878 9.337 0.000) 13.592 17.423 ( 0.856 -8.164 0.000) 8.208 17.567 ( -5.042 -3.032 0.000) 5.883 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 9.773 8.455 0.000) 12.923 2.327 ( 5.133 5.086 0.000) 7.226 2.703 ( 11.811 -3.491 0.000) 12.316 2.737 ( 12.569 -6.345 0.000) 14.079 2.958 ( -12.114 2.143 0.000) 12.302 2.979 ( -8.974 -2.126 0.000) 9.223 3.166 ( -6.318 -1.324 0.000) 6.455 3.173 ( -4.878 -1.514 0.000) 5.107 3.709 ( 2.583 -0.384 0.000) 2.612 3.781 ( -2.176 -1.875 0.000) 2.873 3.819 ( -5.397 -0.922 0.000) 5.475 3.825 ( -7.718 -0.726 0.000) 7.752 5.047 ( 10.419 34.006 0.000) 35.566 5.201 ( -5.479 32.373 0.000) 32.833 5.343 ( 24.166 1.541 0.000) 24.215 5.486 ( 21.572 0.046 0.000) 21.572 5.508 ( 23.910 9.988 0.000) 25.912 5.746 ( -5.764 0.324 0.000) 5.773 5.898 ( -18.146 -3.675 0.000) 18.515 6.038 ( -23.947 6.854 0.000) 24.909 6.126 ( 8.741 -9.203 0.000) 12.692 6.376 ( 6.710 -19.695 0.000) 20.807 6.474 ( -17.011 -11.083 0.000) 20.303 6.603 ( -18.321 -13.514 0.000) 22.766 6.940 ( 1.697 0.690 0.000) 1.832 6.983 ( -2.685 0.531 0.000) 2.737 7.142 ( 0.055 -6.497 0.000) 6.497 7.149 ( -0.325 -9.536 0.000) 9.541 8.285 ( 3.878 8.044 0.000) 8.930 8.337 ( -1.315 7.500 0.000) 7.615 8.446 ( 2.335 0.615 0.000) 2.415 8.466 ( 0.541 1.111 0.000) 1.236 9.824 ( 10.056 9.714 0.000) 13.982 10.013 ( -9.331 8.399 0.000) 12.554 10.107 ( 7.395 -2.931 0.000) 7.954 10.230 ( -5.281 -1.442 0.000) 5.475 12.353 ( 20.042 7.275 0.000) 21.321 12.720 ( -13.623 5.719 0.000) 14.775 12.771 ( 11.261 -6.030 0.000) 12.774 12.870 ( -4.886 4.953 0.000) 6.958 13.096 ( 7.886 7.950 0.000) 11.198 13.287 ( -8.112 0.901 0.000) 8.162 13.784 ( -1.576 -13.296 0.000) 13.389 13.800 ( -4.517 -12.684 0.000) 13.465 14.081 ( 0.679 9.917 0.000) 9.940 14.139 ( -5.515 6.419 0.000) 8.463 14.514 ( 2.050 -10.476 0.000) 10.674 14.540 ( -0.643 -11.443 0.000) 11.461 15.516 ( 2.191 3.516 0.000) 4.143 15.570 ( -3.308 4.483 0.000) 5.571 15.689 ( 3.413 -4.033 0.000) 5.283 15.782 ( -5.802 -4.429 0.000) 7.299 16.026 ( 1.415 3.241 0.000) 3.537 16.062 ( -2.095 3.469 0.000) 4.053 16.233 ( 4.009 -6.190 0.000) 7.375 16.307 ( -3.255 -8.122 0.000) 8.750 17.061 ( 3.002 9.393 0.000) 9.861 17.145 ( -5.973 9.603 0.000) 11.309 17.445 ( 1.574 -7.318 0.000) 7.485 17.488 ( -3.072 -5.650 0.000) 6.431 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 -23.169 0.000) 23.169 1.389 ( 0.000 23.169 0.000) 23.169 1.923 ( 0.000 -24.626 0.000) 24.626 1.923 ( 0.000 24.626 0.000) 24.626 3.435 ( 0.000 -15.625 0.000) 15.625 3.435 ( 0.000 15.625 0.000) 15.625 3.579 ( 0.000 -3.558 0.000) 3.558 3.579 ( 0.000 3.558 0.000) 3.558 3.726 ( 0.000 -28.965 0.000) 28.965 3.726 ( 0.000 28.965 0.000) 28.965 4.105 ( 0.000 -2.631 0.000) 2.631 4.105 ( 0.000 2.631 0.000) 2.631 4.399 ( 0.000 -9.743 0.000) 9.743 4.399 ( 0.000 9.743 0.000) 9.743 4.552 ( 0.000 -1.503 0.000) 1.503 4.552 ( 0.000 1.503 0.000) 1.503 5.590 ( 0.000 -15.894 0.000) 15.894 5.590 ( 0.000 15.894 0.000) 15.894 6.406 ( 0.000 -29.960 0.000) 29.960 6.406 ( 0.000 29.960 0.000) 29.960 6.883 ( 0.000 -1.920 0.000) 1.920 6.883 ( 0.000 1.920 0.000) 1.920 6.885 ( 0.000 -0.666 0.000) 0.666 6.885 ( 0.000 0.666 0.000) 0.666 7.254 ( 0.000 -1.224 0.000) 1.224 7.254 ( 0.000 1.224 0.000) 1.224 7.453 ( 0.000 -2.387 0.000) 2.387 7.453 ( 0.000 2.387 0.000) 2.387 8.261 ( 0.000 -1.393 0.000) 1.393 8.261 ( 0.000 1.393 0.000) 1.393 8.430 ( 0.000 -9.336 0.000) 9.336 8.430 ( 0.000 9.336 0.000) 9.336 9.255 ( 0.000 -13.450 0.000) 13.450 9.255 ( 0.000 13.450 0.000) 13.450 10.394 ( 0.000 -2.846 0.000) 2.846 10.394 ( 0.000 2.846 0.000) 2.846 11.600 ( 0.000 -2.059 0.000) 2.059 11.600 ( 0.000 2.059 0.000) 2.059 12.898 ( 0.000 -8.129 0.000) 8.129 12.898 ( 0.000 8.129 0.000) 8.129 13.394 ( 0.000 -22.616 0.000) 22.616 13.394 ( 0.000 22.616 0.000) 22.616 13.700 ( 0.000 -6.235 0.000) 6.235 13.700 ( 0.000 6.235 0.000) 6.235 14.316 ( 0.000 -7.725 0.000) 7.725 14.316 ( 0.000 7.725 0.000) 7.725 14.743 ( 0.000 -8.554 0.000) 8.554 14.743 ( 0.000 8.554 0.000) 8.554 15.560 ( 0.000 -6.625 0.000) 6.625 15.560 ( 0.000 6.625 0.000) 6.625 15.922 ( 0.000 -8.249 0.000) 8.249 15.922 ( 0.000 8.249 0.000) 8.249 16.121 ( 0.000 -0.937 0.000) 0.937 16.121 ( 0.000 0.937 0.000) 0.937 16.156 ( 0.000 -0.151 0.000) 0.151 16.156 ( 0.000 0.151 0.000) 0.151 17.196 ( 0.000 -10.063 0.000) 10.063 17.196 ( 0.000 10.063 0.000) 10.063 17.881 ( 0.000 -4.086 0.000) 4.086 17.881 ( 0.000 4.086 0.000) 4.086 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 14.669 -20.452 0.000) 25.169 1.543 ( 14.669 20.452 0.000) 25.169 1.992 ( 6.563 -21.100 0.000) 22.097 1.992 ( 6.563 21.100 0.000) 22.097 3.402 ( -3.182 -14.848 0.000) 15.185 3.402 ( -3.182 14.848 0.000) 15.185 3.527 ( -4.607 -9.560 0.000) 10.612 3.527 ( -4.607 9.560 0.000) 10.612 3.828 ( 8.913 -25.039 0.000) 26.578 3.828 ( 8.913 25.039 0.000) 26.578 4.186 ( 5.837 -3.812 0.000) 6.971 4.186 ( 5.837 3.812 0.000) 6.971 4.342 ( -3.357 -8.230 0.000) 8.889 4.342 ( -3.357 8.230 0.000) 8.889 4.578 ( 3.003 -1.264 0.000) 3.258 4.578 ( 3.003 1.264 0.000) 3.258 5.593 ( 0.661 -18.378 0.000) 18.390 5.593 ( 0.661 18.378 0.000) 18.390 6.350 ( -5.465 -28.552 0.000) 29.070 6.350 ( -5.465 28.552 0.000) 29.070 6.802 ( -8.037 -2.212 0.000) 8.336 6.802 ( -8.037 2.212 0.000) 8.336 6.888 ( 0.429 -1.399 0.000) 1.463 6.888 ( 0.429 1.399 0.000) 1.463 7.226 ( -2.709 -0.891 0.000) 2.852 7.226 ( -2.709 0.891 0.000) 2.852 7.397 ( -6.203 -1.568 0.000) 6.398 7.397 ( -6.203 1.568 0.000) 6.398 8.292 ( 3.012 -0.868 0.000) 3.135 8.292 ( 3.012 0.868 0.000) 3.135 8.367 ( -4.539 -8.066 0.000) 9.256 8.367 ( -4.539 8.066 0.000) 9.256 9.387 ( 11.388 -12.597 0.000) 16.981 9.387 ( 11.388 12.597 0.000) 16.981 10.386 ( -0.926 -2.712 0.000) 2.865 10.386 ( -0.926 2.712 0.000) 2.865 11.666 ( 6.942 -1.829 0.000) 7.179 11.666 ( 6.942 1.829 0.000) 7.179 12.915 ( 1.594 -8.913 0.000) 9.055 12.915 ( 1.594 8.913 0.000) 9.055 13.402 ( 0.677 -22.558 0.000) 22.568 13.402 ( 0.677 22.558 0.000) 22.568 13.711 ( 0.935 -7.858 0.000) 7.913 13.711 ( 0.935 7.858 0.000) 7.913 14.322 ( 0.408 -8.342 0.000) 8.352 14.322 ( 0.408 8.342 0.000) 8.352 14.671 ( -7.135 -8.021 0.000) 10.736 14.671 ( -7.135 8.021 0.000) 10.736 15.561 ( 0.046 -6.235 0.000) 6.235 15.561 ( 0.046 6.235 0.000) 6.235 15.906 ( -1.700 -8.209 0.000) 8.384 15.906 ( -1.700 8.209 0.000) 8.384 16.106 ( -1.358 -1.251 0.000) 1.847 16.106 ( -1.358 1.251 0.000) 1.847 16.164 ( 0.828 -1.745 0.000) 1.932 16.164 ( 0.828 1.745 0.000) 1.932 17.199 ( 0.311 -10.064 0.000) 10.068 17.199 ( 0.311 10.064 0.000) 10.068 17.808 ( -7.039 -2.836 0.000) 7.589 17.808 ( -7.039 2.836 0.000) 7.589 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 19.697 -15.505 0.000) 25.068 1.889 ( 19.697 15.505 0.000) 25.068 2.145 ( 8.688 -15.283 0.000) 17.580 2.145 ( 8.688 15.283 0.000) 17.580 3.322 ( -5.018 -12.644 0.000) 13.603 3.322 ( -5.018 12.644 0.000) 13.603 3.410 ( -7.502 -7.305 0.000) 10.471 3.410 ( -7.502 7.305 0.000) 10.471 3.983 ( 4.320 -14.231 0.000) 14.873 3.983 ( 4.320 14.231 0.000) 14.873 4.079 ( -12.464 -7.010 0.000) 14.300 4.079 ( -12.464 7.010 0.000) 14.300 4.523 ( 17.950 -3.468 0.000) 18.282 4.523 ( 17.950 3.468 0.000) 18.282 4.718 ( 13.795 -7.020 0.000) 15.479 4.718 ( 13.795 7.020 0.000) 15.479 5.627 ( 2.937 -22.947 0.000) 23.134 5.627 ( 2.937 22.947 0.000) 23.134 6.216 ( -7.856 -26.552 0.000) 27.690 6.216 ( -7.856 26.552 0.000) 27.690 6.593 ( -13.339 -1.314 0.000) 13.404 6.593 ( -13.339 1.314 0.000) 13.404 6.904 ( 0.975 -4.044 0.000) 4.160 6.904 ( 0.975 4.044 0.000) 4.160 7.157 ( -4.195 -1.840 0.000) 4.581 7.157 ( -4.195 1.840 0.000) 4.581 7.204 ( -13.679 -2.045 0.000) 13.831 7.204 ( -13.679 2.045 0.000) 13.831 8.315 ( -0.241 -5.991 0.000) 5.996 8.315 ( -0.241 5.991 0.000) 5.996 8.364 ( 4.066 -0.579 0.000) 4.106 8.364 ( 4.066 0.579 0.000) 4.106 9.618 ( 11.638 -9.783 0.000) 15.204 9.618 ( 11.638 9.783 0.000) 15.204 10.353 ( -2.606 -2.601 0.000) 3.682 10.353 ( -2.606 2.601 0.000) 3.682 11.868 ( 13.933 -6.296 0.000) 15.289 11.868 ( 13.933 6.296 0.000) 15.289 12.950 ( 1.709 -9.953 0.000) 10.098 12.950 ( 1.709 9.953 0.000) 10.098 13.416 ( 0.658 -21.986 0.000) 21.996 13.416 ( 0.658 21.986 0.000) 21.996 13.716 ( -1.336 -11.400 0.000) 11.478 13.716 ( -1.336 11.400 0.000) 11.478 14.324 ( -0.294 -9.414 0.000) 9.419 14.324 ( -0.294 9.414 0.000) 9.419 14.498 ( -9.677 -5.804 0.000) 11.285 14.498 ( -9.677 5.804 0.000) 11.285 15.561 ( -0.013 -5.209 0.000) 5.209 15.561 ( -0.013 5.209 0.000) 5.209 15.855 ( -3.591 -7.641 0.000) 8.442 15.855 ( -3.591 7.641 0.000) 8.442 16.081 ( -0.964 -2.198 0.000) 2.400 16.081 ( -0.964 2.198 0.000) 2.400 16.182 ( 0.776 -3.969 0.000) 4.044 16.182 ( 0.776 3.969 0.000) 4.044 17.208 ( 0.690 -10.032 0.000) 10.056 17.208 ( 0.690 10.032 0.000) 10.056 17.640 ( -9.535 -3.749 0.000) 10.246 17.640 ( -9.535 3.749 0.000) 10.246 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 16.939 -11.217 0.000) 20.316 2.252 ( 16.939 11.217 0.000) 20.316 2.316 ( 9.039 -12.670 0.000) 15.564 2.316 ( 9.039 12.670 0.000) 15.564 3.210 ( -6.654 -8.926 0.000) 11.133 3.210 ( -6.654 8.926 0.000) 11.133 3.248 ( -8.785 -4.891 0.000) 10.054 3.248 ( -8.785 4.891 0.000) 10.054 3.839 ( -10.520 -4.831 0.000) 11.576 3.839 ( -10.520 4.831 0.000) 11.576 3.953 ( -6.148 -3.403 0.000) 7.027 3.953 ( -6.148 3.403 0.000) 7.027 4.928 ( 23.178 -2.852 0.000) 23.353 4.928 ( 23.178 2.852 0.000) 23.353 5.132 ( 27.483 -15.206 0.000) 31.409 5.132 ( 27.483 15.206 0.000) 31.409 5.700 ( 4.356 -25.319 0.000) 25.691 5.700 ( 4.356 25.319 0.000) 25.691 6.065 ( -7.657 -25.824 0.000) 26.935 6.065 ( -7.657 25.824 0.000) 26.935 6.294 ( -17.479 -0.884 0.000) 17.501 6.294 ( -17.479 0.884 0.000) 17.501 6.814 ( -18.351 -4.723 0.000) 18.949 6.814 ( -18.351 4.723 0.000) 18.949 6.978 ( -1.715 -3.713 0.000) 4.090 6.978 ( -1.715 3.713 0.000) 4.090 7.081 ( -3.375 -3.023 0.000) 4.530 7.081 ( -3.375 3.023 0.000) 4.530 8.350 ( 3.199 -4.652 0.000) 5.645 8.350 ( 3.199 4.652 0.000) 5.645 8.431 ( 2.445 -1.820 0.000) 3.048 8.431 ( 2.445 1.820 0.000) 3.048 9.825 ( 9.974 -7.871 0.000) 12.706 9.825 ( 9.974 7.871 0.000) 12.706 10.281 ( -4.961 -3.410 0.000) 6.020 10.281 ( -4.961 3.410 0.000) 6.020 12.186 ( 18.467 -10.583 0.000) 21.285 12.186 ( 18.467 10.583 0.000) 21.285 12.960 ( -1.477 -7.959 0.000) 8.095 12.960 ( -1.477 7.959 0.000) 8.095 13.423 ( 0.104 -20.588 0.000) 20.588 13.423 ( 0.104 20.588 0.000) 20.588 13.629 ( -7.613 -13.679 0.000) 15.654 13.629 ( -7.613 13.679 0.000) 15.654 14.313 ( -0.688 -10.384 0.000) 10.406 14.313 ( -0.688 10.384 0.000) 10.406 14.350 ( -4.807 -4.665 0.000) 6.698 14.350 ( -4.807 4.665 0.000) 6.698 15.566 ( 0.771 -4.207 0.000) 4.277 15.566 ( 0.771 4.207 0.000) 4.277 15.772 ( -4.875 -6.573 0.000) 8.184 15.772 ( -4.875 6.573 0.000) 8.184 16.079 ( 0.932 -3.606 0.000) 3.725 16.079 ( 0.932 3.606 0.000) 3.725 16.185 ( -0.583 -5.488 0.000) 5.519 16.185 ( -0.583 5.488 0.000) 5.519 17.227 ( 1.346 -9.861 0.000) 9.952 17.227 ( 1.346 9.861 0.000) 9.952 17.466 ( -8.076 -6.404 0.000) 10.307 17.466 ( -8.076 6.404 0.000) 10.307 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 6.801 -12.607 0.000) 14.325 2.479 ( 6.801 12.607 0.000) 14.325 2.495 ( 6.734 -10.456 0.000) 12.437 2.495 ( 6.734 10.456 0.000) 12.437 3.083 ( -4.780 -6.205 0.000) 7.832 3.083 ( -4.780 6.205 0.000) 7.832 3.097 ( -5.817 -5.921 0.000) 8.301 3.097 ( -5.817 5.921 0.000) 8.301 3.732 ( -0.090 -2.272 0.000) 2.274 3.732 ( -0.090 2.272 0.000) 2.274 3.811 ( -7.073 -0.290 0.000) 7.079 3.811 ( -7.073 0.290 0.000) 7.079 5.385 ( 23.470 -2.245 0.000) 23.578 5.385 ( 23.470 2.245 0.000) 23.578 5.669 ( 19.379 -12.206 0.000) 22.903 5.669 ( 19.379 12.206 0.000) 22.903 5.758 ( 0.306 -18.593 0.000) 18.595 5.758 ( 0.306 18.593 0.000) 18.595 5.925 ( -6.919 -24.841 0.000) 25.786 5.925 ( -6.919 24.841 0.000) 25.786 5.990 ( -5.110 -5.063 0.000) 7.193 5.990 ( -5.110 5.063 0.000) 7.193 6.351 ( -27.020 -7.260 0.000) 27.978 6.351 ( -27.020 7.260 0.000) 27.978 6.996 ( 1.622 -4.762 0.000) 5.030 6.996 ( 1.622 4.762 0.000) 5.030 7.030 ( -2.013 -3.883 0.000) 4.374 7.030 ( -2.013 3.883 0.000) 4.374 8.414 ( 2.991 -3.820 0.000) 4.852 8.414 ( 2.991 3.820 0.000) 4.852 8.450 ( -0.490 -2.943 0.000) 2.983 8.450 ( -0.490 2.943 0.000) 2.983 10.006 ( 8.846 -6.797 0.000) 11.156 10.006 ( 8.846 6.797 0.000) 11.156 10.162 ( -7.271 -5.167 0.000) 8.920 10.162 ( -7.271 5.167 0.000) 8.920 12.551 ( 18.478 -10.973 0.000) 21.490 12.551 ( 18.478 10.973 0.000) 21.490 12.849 ( -11.053 -5.447 0.000) 12.322 12.849 ( -11.053 5.447 0.000) 12.322 13.427 ( 0.739 -18.521 0.000) 18.535 13.427 ( 0.739 18.521 0.000) 18.535 13.481 ( -5.730 -15.093 0.000) 16.144 13.481 ( -5.730 15.093 0.000) 16.144 14.302 ( -0.298 -10.724 0.000) 10.728 14.302 ( -0.298 10.724 0.000) 10.728 14.304 ( -0.708 -8.950 0.000) 8.978 14.304 ( -0.708 8.950 0.000) 8.978 15.600 ( 2.944 -4.215 0.000) 5.141 15.600 ( 2.944 4.215 0.000) 5.141 15.676 ( -4.766 -5.266 0.000) 7.102 15.676 ( -4.766 5.266 0.000) 7.102 16.113 ( 2.337 -4.943 0.000) 5.468 16.113 ( 2.337 4.943 0.000) 5.468 16.159 ( -2.096 -5.724 0.000) 6.096 16.159 ( -2.096 5.724 0.000) 6.096 17.264 ( 2.710 -9.365 0.000) 9.750 17.264 ( 2.710 9.365 0.000) 9.750 17.338 ( -5.146 -8.297 0.000) 9.764 17.338 ( -5.146 8.297 0.000) 9.764 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 0.000 22.009) 22.009 0.742 ( 0.000 0.000 35.241) 35.241 1.161 ( 0.000 0.000 55.710) 55.710 2.419 ( 0.000 0.000 6.562) 6.562 2.787 ( 0.000 0.000 3.093) 3.093 2.794 ( 0.000 0.000 -8.193) 8.193 3.517 ( 0.000 0.000 2.332) 2.332 3.852 ( 0.000 0.000 -5.412) 5.412 3.898 ( 0.000 0.000 -0.691) 0.691 4.027 ( 0.000 0.000 -3.571) 3.571 4.228 ( 0.000 0.000 1.608) 1.608 4.274 ( 0.000 0.000 -8.602) 8.602 4.417 ( 0.000 0.000 -12.763) 12.763 4.451 ( 0.000 0.000 10.191) 10.191 4.637 ( 0.000 0.000 5.060) 5.060 4.844 ( 0.000 0.000 -0.560) 0.560 4.930 ( 0.000 0.000 -4.073) 4.073 5.058 ( 0.000 0.000 11.947) 11.947 6.448 ( 0.000 0.000 4.553) 4.553 6.804 ( 0.000 0.000 -9.405) 9.405 6.843 ( 0.000 0.000 -8.893) 8.893 7.171 ( 0.000 0.000 -8.070) 8.070 7.171 ( 0.000 0.000 -6.818) 6.818 7.236 ( 0.000 0.000 5.893) 5.893 7.276 ( 0.000 0.000 -3.253) 3.253 7.341 ( 0.000 0.000 -4.921) 4.921 7.633 ( 0.000 0.000 6.956) 6.956 7.634 ( 0.000 0.000 0.095) 0.095 7.704 ( 0.000 0.000 -0.294) 0.294 7.766 ( 0.000 0.000 9.807) 9.807 8.040 ( 0.000 0.000 -5.195) 5.195 8.441 ( 0.000 0.000 9.277) 9.277 8.686 ( 0.000 0.000 -9.036) 9.036 9.661 ( 0.000 0.000 -4.103) 4.103 10.295 ( 0.000 0.000 2.073) 2.073 10.393 ( 0.000 0.000 -1.409) 1.409 11.286 ( 0.000 0.000 1.784) 1.784 11.633 ( 0.000 0.000 3.291) 3.291 12.345 ( 0.000 0.000 4.045) 4.045 12.755 ( 0.000 0.000 9.881) 9.881 12.869 ( 0.000 0.000 2.392) 2.392 13.890 ( 0.000 0.000 -12.625) 12.625 13.910 ( 0.000 0.000 -7.030) 7.030 13.937 ( 0.000 0.000 -3.504) 3.504 14.415 ( 0.000 0.000 6.614) 6.614 14.512 ( 0.000 0.000 9.798) 9.798 14.818 ( 0.000 0.000 7.168) 7.168 15.122 ( 0.000 0.000 -3.185) 3.185 15.378 ( 0.000 0.000 1.353) 1.353 15.601 ( 0.000 0.000 -2.300) 2.300 16.086 ( 0.000 0.000 0.127) 0.127 16.103 ( 0.000 0.000 -0.711) 0.711 16.145 ( 0.000 0.000 -2.023) 2.023 16.146 ( 0.000 0.000 -2.639) 2.639 16.405 ( 0.000 0.000 -4.522) 4.522 16.776 ( 0.000 0.000 0.164) 0.164 16.777 ( 0.000 0.000 -3.720) 3.720 16.865 ( 0.000 0.000 -0.892) 0.892 17.600 ( 0.000 0.000 0.262) 0.262 17.613 ( 0.000 0.000 -0.502) 0.502 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 8.391 0.000 17.363) 19.285 0.701 ( 21.579 0.000 14.691) 26.105 1.755 ( 37.396 0.000 43.747) 57.553 2.443 ( 2.359 0.000 5.557) 6.037 2.688 ( -5.054 0.000 -1.160) 5.186 2.853 ( 4.576 0.000 -5.853) 7.429 3.551 ( -0.164 0.000 -1.964) 1.970 3.850 ( -0.693 0.000 -3.264) 3.337 3.937 ( 0.005 0.000 -4.762) 4.762 4.009 ( 2.687 0.000 -1.701) 3.180 4.220 ( -5.630 0.000 -8.168) 9.920 4.225 ( -0.582 0.000 -0.685) 0.899 4.230 ( -9.941 0.000 -6.102) 11.665 4.343 ( -10.128 0.000 1.872) 10.300 4.603 ( 3.892 0.000 3.804) 5.442 4.733 ( -8.865 0.000 -2.193) 9.132 5.062 ( 1.923 0.000 6.426) 6.707 5.119 ( 8.488 0.000 13.950) 16.329 6.493 ( 3.368 0.000 3.157) 4.617 6.774 ( -3.700 0.000 -10.112) 10.768 6.807 ( -4.007 0.000 -5.698) 6.966 7.054 ( -11.757 0.000 -1.096) 11.808 7.063 ( -8.401 0.000 -4.704) 9.628 7.203 ( -4.351 0.000 -2.418) 4.978 7.220 ( -3.051 0.000 -2.977) 4.263 7.319 ( -3.769 0.000 -6.158) 7.220 7.595 ( -8.962 0.000 6.048) 10.812 7.608 ( 5.028 0.000 6.245) 8.017 7.694 ( -5.395 0.000 1.582) 5.622 7.797 ( 8.814 0.000 3.155) 9.362 8.049 ( 5.034 0.000 -0.452) 5.054 8.399 ( -1.134 0.000 10.550) 10.610 8.851 ( 13.197 0.000 -7.984) 15.424 9.828 ( 6.141 0.000 -11.837) 13.335 10.259 ( -3.921 0.000 2.247) 4.519 10.352 ( -2.703 0.000 2.116) 3.433 11.506 ( 21.312 0.000 -2.741) 21.487 11.635 ( 0.512 0.000 2.078) 2.140 12.382 ( 3.765 0.000 3.913) 5.431 12.757 ( 0.524 0.000 9.538) 9.552 12.926 ( 5.719 0.000 4.089) 7.030 13.723 ( -13.484 0.000 -11.283) 17.582 13.920 ( 1.794 0.000 -13.462) 13.581 14.013 ( 2.098 0.000 1.118) 2.377 14.415 ( 0.446 0.000 5.965) 5.982 14.604 ( 5.159 0.000 9.789) 11.065 14.853 ( 2.793 0.000 3.094) 4.169 14.991 ( -11.253 0.000 -1.001) 11.298 15.382 ( 0.469 0.000 1.310) 1.392 15.588 ( -1.307 0.000 -1.992) 2.382 16.048 ( -11.056 0.000 2.517) 11.339 16.063 ( -2.046 0.000 0.080) 2.048 16.100 ( -0.573 0.000 -0.030) 0.574 16.129 ( -6.031 0.000 0.707) 6.073 16.184 ( 1.757 0.000 -0.653) 1.874 16.776 ( 0.014 0.000 -0.042) 0.044 16.862 ( -0.320 0.000 -0.672) 0.744 16.991 ( 4.899 0.000 -11.549) 12.545 17.602 ( 0.191 0.000 0.182) 0.264 17.610 ( -0.300 0.000 -0.391) 0.493 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 36.730 0.000 -14.304) 39.417 1.170 ( 25.970 0.000 9.743) 27.738 2.313 ( 13.772 0.000 20.515) 24.709 2.502 ( 3.414 0.000 4.105) 5.339 2.730 ( 14.838 0.000 8.854) 17.279 2.974 ( 7.676 0.000 -6.372) 9.976 3.458 ( -8.328 0.000 -5.935) 10.226 3.804 ( -4.922 0.000 2.166) 5.378 3.844 ( -6.280 0.000 -5.638) 8.439 4.040 ( -9.287 0.000 -4.597) 10.363 4.093 ( -7.751 0.000 -10.618) 13.146 4.157 ( 0.941 0.000 -2.750) 2.907 4.259 ( -3.665 0.000 -7.595) 8.433 4.260 ( 12.508 0.000 -8.077) 14.889 4.541 ( -8.700 0.000 3.408) 9.343 4.567 ( -4.270 0.000 -1.273) 4.456 5.091 ( 4.287 0.000 13.483) 14.148 5.413 ( 20.157 0.000 16.727) 26.194 6.515 ( -4.434 0.000 -1.938) 4.839 6.638 ( -10.089 0.000 -7.763) 12.730 6.657 ( -12.507 0.000 -1.339) 12.579 6.836 ( -8.006 0.000 3.026) 8.558 6.914 ( -5.849 0.000 -10.281) 11.828 7.087 ( -6.377 0.000 -4.145) 7.605 7.177 ( -1.244 0.000 -2.906) 3.160 7.226 ( -5.976 0.000 -3.590) 6.971 7.408 ( -11.297 0.000 1.605) 11.410 7.571 ( -5.659 0.000 -0.771) 5.711 7.754 ( 8.609 0.000 5.083) 9.997 7.951 ( 6.795 0.000 3.189) 7.506 8.190 ( 8.177 0.000 1.162) 8.259 8.422 ( 2.802 0.000 11.153) 11.500 9.106 ( 12.373 0.000 -6.666) 14.054 9.887 ( 2.390 0.000 -5.290) 5.805 10.161 ( -5.610 0.000 3.323) 6.520 10.321 ( -0.977 0.000 2.387) 2.579 11.675 ( 4.365 0.000 -0.861) 4.449 11.980 ( 24.976 0.000 -9.222) 26.625 12.477 ( 5.524 0.000 3.024) 6.297 12.795 ( 4.314 0.000 8.966) 9.950 13.075 ( 9.044 0.000 7.575) 11.797 13.407 ( -18.790 0.000 -14.296) 23.610 13.937 ( -0.294 0.000 -11.795) 11.798 14.010 ( -2.411 0.000 5.744) 6.229 14.403 ( -2.700 0.000 7.148) 7.641 14.673 ( 0.405 0.000 3.190) 3.215 14.765 ( -8.546 0.000 8.023) 11.722 14.899 ( 1.572 0.000 3.364) 3.713 15.397 ( 1.027 0.000 1.244) 1.613 15.553 ( -2.111 0.000 -1.213) 2.435 15.873 ( -6.548 0.000 2.496) 7.008 16.017 ( -2.487 0.000 0.670) 2.576 16.057 ( -3.645 0.000 -3.339) 4.943 16.079 ( -1.611 0.000 0.713) 1.762 16.224 ( 2.596 0.000 0.097) 2.598 16.778 ( 0.253 0.000 -0.329) 0.415 16.852 ( -0.711 0.000 -0.240) 0.750 16.960 ( -6.119 0.000 -6.042) 8.599 17.602 ( -0.289 0.000 -0.295) 0.413 17.609 ( 0.199 0.000 0.156) 0.253 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 25.786 0.000 7.444) 26.839 1.713 ( 32.766 0.000 -13.151) 35.306 2.401 ( 2.048 0.000 0.429) 2.093 2.545 ( -0.099 0.000 3.766) 3.767 3.041 ( 4.553 0.000 -0.487) 4.579 3.140 ( 10.546 0.000 -1.861) 10.709 3.300 ( -5.613 0.000 -0.875) 5.681 3.659 ( -7.473 0.000 6.061) 9.622 3.740 ( -3.957 0.000 -5.150) 6.495 3.873 ( -7.643 0.000 -4.992) 9.129 3.927 ( -8.877 0.000 -8.981) 12.628 4.094 ( -4.414 0.000 -3.199) 5.452 4.110 ( -9.842 0.000 1.140) 9.907 4.308 ( -12.148 0.000 3.150) 12.550 4.665 ( 24.413 0.000 -12.122) 27.257 4.682 ( 15.564 0.000 -8.877) 17.917 5.293 ( 16.349 0.000 12.745) 20.730 5.792 ( 14.633 0.000 13.529) 19.929 6.227 ( -22.719 0.000 -8.894) 24.397 6.367 ( -13.398 0.000 -3.938) 13.965 6.418 ( -13.827 0.000 -2.188) 13.999 6.784 ( 0.533 0.000 5.334) 5.361 6.837 ( -2.869 0.000 -9.635) 10.053 6.981 ( -4.521 0.000 -3.718) 5.853 7.075 ( -9.587 0.000 0.283) 9.591 7.104 ( -9.872 0.000 -3.186) 10.373 7.256 ( 0.449 0.000 1.132) 1.218 7.489 ( -3.440 0.000 -3.746) 5.086 7.912 ( 7.451 0.000 3.721) 8.328 8.050 ( 3.393 0.000 3.026) 4.546 8.338 ( 6.866 0.000 3.667) 7.784 8.476 ( 2.208 0.000 9.582) 9.833 9.324 ( 10.713 0.000 -3.677) 11.327 9.902 ( -3.840 0.000 -3.614) 5.273 10.095 ( 1.275 0.000 4.542) 4.718 10.300 ( -1.464 0.000 1.846) 2.356 11.823 ( 11.277 0.000 -4.564) 12.166 12.380 ( 15.007 0.000 -10.407) 18.262 12.569 ( 3.512 0.000 0.268) 3.522 12.964 ( -22.413 0.000 -12.541) 25.683 12.974 ( 15.037 0.000 5.309) 15.946 13.313 ( 11.093 0.000 8.846) 14.188 13.886 ( -6.017 0.000 -11.071) 12.601 13.922 ( -6.633 0.000 8.915) 11.112 14.308 ( -5.760 0.000 7.495) 9.452 14.514 ( -9.839 0.000 4.323) 10.747 14.800 ( 5.063 0.000 11.167) 12.261 14.921 ( 0.767 0.000 6.061) 6.109 15.420 ( 1.258 0.000 1.173) 1.720 15.511 ( -2.172 0.000 -0.263) 2.188 15.789 ( -2.086 0.000 0.938) 2.287 15.974 ( -4.903 0.000 -2.805) 5.649 15.977 ( -1.349 0.000 1.248) 1.837 16.041 ( -2.236 0.000 1.174) 2.525 16.296 ( 5.127 0.000 -0.098) 5.128 16.786 ( 0.568 0.000 -0.307) 0.646 16.800 ( -9.840 0.000 -2.816) 10.235 16.836 ( -0.971 0.000 0.075) 0.974 17.598 ( 0.001 0.000 -0.161) 0.161 17.611 ( 0.000 0.000 0.078) 0.078 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 21.197 0.000 5.798) 21.975 2.246 ( 20.973 0.000 -7.619) 22.314 2.442 ( -0.111 0.000 -3.538) 3.539 2.450 ( -10.661 0.000 4.439) 11.549 2.968 ( -3.548 0.000 -11.003) 11.561 3.077 ( -12.494 0.000 -8.669) 15.207 3.398 ( 10.948 0.000 1.289) 11.023 3.580 ( -5.847 0.000 5.043) 7.721 3.707 ( 0.703 0.000 -4.551) 4.605 3.758 ( -4.274 0.000 -5.050) 6.616 3.820 ( 0.955 0.000 0.754) 1.217 3.931 ( -8.325 0.000 5.115) 9.771 4.034 ( -0.712 0.000 -1.433) 1.601 4.101 ( -7.879 0.000 0.886) 7.929 5.123 ( 28.405 0.000 -10.131) 30.157 5.178 ( 27.634 0.000 -11.931) 30.099 5.633 ( 1.723 0.000 1.109) 2.049 5.681 ( -22.400 0.000 -6.307) 23.271 5.752 ( -9.715 0.000 -3.127) 10.206 6.093 ( -19.644 0.000 3.518) 19.957 6.430 ( 16.135 0.000 6.356) 17.342 6.729 ( -11.613 0.000 -0.463) 11.623 6.817 ( 3.068 0.000 2.922) 4.237 6.911 ( -2.451 0.000 -1.365) 2.805 6.917 ( -7.680 0.000 0.491) 7.696 6.922 ( -3.354 0.000 -5.162) 6.156 7.329 ( 4.987 0.000 -2.731) 5.686 7.419 ( -4.123 0.000 -4.165) 5.860 8.029 ( 4.439 0.000 3.070) 5.397 8.078 ( -0.576 0.000 2.919) 2.975 8.445 ( 4.117 0.000 5.807) 7.118 8.492 ( -0.721 0.000 7.665) 7.698 9.534 ( 11.173 0.000 -1.476) 11.270 9.746 ( -10.478 0.000 -1.371) 10.567 10.177 ( 5.065 0.000 2.521) 5.658 10.257 ( -3.137 0.000 1.827) 3.630 12.111 ( 18.451 0.000 -8.395) 20.271 12.516 ( -22.946 0.000 -11.629) 25.725 12.563 ( 5.099 0.000 -5.730) 7.670 12.606 ( 0.162 0.000 -2.576) 2.581 13.328 ( 19.705 0.000 -4.117) 20.131 13.543 ( 12.027 0.000 11.399) 16.571 13.677 ( -15.407 0.000 -10.108) 18.427 13.759 ( -10.113 0.000 10.949) 14.905 14.258 ( 1.396 0.000 9.751) 9.851 14.348 ( -7.224 0.000 10.345) 12.618 14.885 ( 3.311 0.000 8.400) 9.029 14.923 ( -0.744 0.000 7.515) 7.552 15.444 ( 1.328 0.000 0.994) 1.659 15.473 ( -1.721 0.000 0.538) 1.803 15.795 ( 2.609 0.000 -0.065) 2.610 15.875 ( -5.133 0.000 -1.423) 5.326 15.970 ( 0.648 0.000 1.442) 1.581 15.998 ( -2.024 0.000 1.379) 2.449 16.424 ( 8.152 0.000 -0.513) 8.168 16.603 ( -10.138 0.000 -1.221) 10.211 16.799 ( 0.819 0.000 -0.057) 0.821 16.817 ( -0.980 0.000 0.131) 0.989 17.602 ( 0.311 0.000 -0.062) 0.318 17.608 ( -0.289 0.000 0.002) 0.289 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 16.336 29.171) 33.434 1.009 ( 0.000 21.366 25.439) 33.221 1.635 ( 0.000 48.688 24.937) 54.703 2.310 ( 0.000 -10.841 6.087) 12.433 2.700 ( 0.000 -7.877 4.064) 8.864 2.858 ( 0.000 7.287 -4.152) 8.387 3.497 ( 0.000 -1.310 0.131) 1.317 3.898 ( 0.000 2.618 -5.170) 5.795 3.943 ( 0.000 3.716 -1.690) 4.082 3.973 ( 0.000 -4.285 -3.142) 5.314 4.056 ( 0.000 -12.402 -1.819) 12.535 4.440 ( 0.000 -0.762 12.119) 12.143 4.475 ( 0.000 -0.023 -9.066) 9.066 4.520 ( 0.000 5.410 7.179) 8.990 4.636 ( 0.000 -0.078 3.786) 3.787 4.784 ( 0.000 -5.661 1.788) 5.936 4.876 ( 0.000 7.246 -15.997) 17.562 5.184 ( 0.000 15.226 8.011) 17.205 6.330 ( 0.000 -10.606 4.974) 11.714 6.715 ( 0.000 -3.659 -9.450) 10.133 6.833 ( 0.000 -1.506 -8.234) 8.370 7.105 ( 0.000 -5.527 -3.152) 6.363 7.125 ( 0.000 -4.730 -2.690) 5.442 7.174 ( 0.000 -3.145 -1.867) 3.657 7.196 ( 0.000 -2.408 -6.619) 7.043 7.331 ( 0.000 -10.633 3.802) 11.292 7.543 ( 0.000 -3.021 3.819) 4.870 7.781 ( 0.000 -2.250 -3.611) 4.254 7.834 ( 0.000 15.493 3.067) 15.793 7.911 ( 0.000 11.996 -1.348) 12.071 8.097 ( 0.000 5.386 -3.905) 6.653 8.616 ( 0.000 14.111 5.320) 15.081 8.655 ( 0.000 -2.981 -7.792) 8.343 9.612 ( 0.000 -4.599 -3.755) 5.937 10.320 ( 0.000 -2.755 2.303) 3.591 10.341 ( 0.000 3.568 1.108) 3.737 11.370 ( 0.000 7.085 1.859) 7.324 11.635 ( 0.000 0.178 3.049) 3.054 12.435 ( 0.000 8.577 4.713) 9.787 12.799 ( 0.000 4.477 7.810) 9.002 12.917 ( 0.000 4.419 3.975) 5.943 13.729 ( 0.000 -9.015 -9.782) 13.302 13.940 ( 0.000 1.820 -8.240) 8.439 14.040 ( 0.000 2.819 -3.721) 4.669 14.337 ( 0.000 -6.584 7.907) 10.289 14.513 ( 0.000 0.378 7.587) 7.597 14.719 ( 0.000 -8.309 6.430) 10.507 15.030 ( 0.000 -6.295 -0.769) 6.342 15.400 ( 0.000 2.067 1.582) 2.603 15.642 ( 0.000 3.297 -2.859) 4.364 16.045 ( 0.000 -11.944 5.235) 13.041 16.100 ( 0.000 -1.667 1.690) 2.374 16.102 ( 0.000 -0.195 -0.691) 0.718 16.131 ( 0.000 -1.414 -3.066) 3.376 16.184 ( 0.000 -5.186 4.555) 6.902 16.330 ( 0.000 -6.235 -3.250) 7.031 16.834 ( 0.000 5.308 0.105) 5.310 17.542 ( 0.000 -3.222 -1.834) 3.708 17.605 ( 0.000 16.905 -21.547) 27.387 17.655 ( 0.000 3.471 -1.559) 3.805 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 2.647 20.278 13.156) 24.316 1.285 ( 12.338 31.085 12.321) 35.641 2.021 ( 30.711 28.698 31.640) 52.610 2.347 ( 3.858 -10.213 3.909) 11.596 2.636 ( -4.103 -4.866 2.377) 6.794 2.884 ( 2.494 4.841 -3.652) 6.556 3.525 ( 0.996 -1.691 -1.717) 2.608 3.845 ( -4.408 -1.477 -4.266) 6.310 3.935 ( -3.237 -0.413 -3.546) 4.819 3.986 ( -2.146 -7.599 -2.840) 8.391 4.056 ( 5.332 -1.391 -6.060) 8.191 4.298 ( -7.007 -1.379 1.228) 7.246 4.327 ( -7.915 3.073 -3.113) 9.043 4.589 ( -3.845 2.682 -2.376) 5.256 4.652 ( -6.717 18.747 -4.736) 20.469 4.817 ( 9.787 4.611 3.882) 11.494 4.917 ( 4.198 -9.529 6.988) 12.540 5.171 ( 0.403 10.679 10.519) 14.995 6.364 ( 3.127 -10.974 4.154) 12.143 6.668 ( -4.459 -4.779 -8.610) 10.809 6.802 ( -3.445 -1.653 -5.951) 7.072 6.996 ( -9.509 -4.695 0.831) 10.637 7.028 ( -9.522 -3.025 -5.303) 11.311 7.147 ( -2.061 -5.025 -5.672) 7.854 7.189 ( -1.881 -2.641 -5.712) 6.568 7.280 ( -4.185 -5.660 1.560) 7.211 7.513 ( -4.106 -2.999 3.447) 6.143 7.673 ( -7.654 -2.773 0.295) 8.146 7.844 ( 1.445 16.087 1.624) 16.234 8.005 ( 2.918 12.067 1.471) 12.502 8.064 ( 4.843 3.103 -1.730) 6.006 8.484 ( -4.264 5.533 7.729) 10.418 8.885 ( 14.855 4.563 -5.887) 16.618 9.755 ( 7.899 -6.226 -7.987) 12.843 10.278 ( -3.664 0.577 1.755) 4.103 10.345 ( -0.202 1.624 1.550) 2.254 11.549 ( 17.142 3.823 -0.518) 17.571 11.645 ( 1.986 1.039 1.405) 2.645 12.468 ( 3.291 8.041 4.690) 9.873 12.801 ( 0.226 4.628 7.727) 9.010 12.967 ( 5.134 3.742 4.929) 8.041 13.671 ( -7.977 -5.196 -10.290) 14.019 13.891 ( -1.663 -0.624 -11.439) 11.576 14.075 ( 1.254 2.575 -0.446) 2.899 14.342 ( 0.458 -6.385 7.505) 9.864 14.562 ( 3.531 -2.544 9.375) 10.336 14.747 ( 2.346 -9.159 3.937) 10.242 14.929 ( -9.311 -4.628 -0.617) 10.416 15.405 ( 0.490 2.087 1.524) 2.631 15.624 ( -1.660 3.162 -2.343) 4.271 15.946 ( -7.338 -8.146 5.437) 12.238 16.069 ( -2.086 0.312 0.151) 2.114 16.091 ( -2.260 -1.592 -1.742) 3.268 16.109 ( -1.192 -0.374 -1.348) 1.838 16.173 ( 1.126 -0.670 -0.133) 1.317 16.477 ( 8.200 -14.037 -0.624) 16.269 16.836 ( 0.170 5.343 0.020) 5.345 17.446 ( -11.201 15.818 -12.964) 23.318 17.551 ( -0.004 -4.442 0.099) 4.443 17.659 ( -1.014 4.067 -2.861) 5.075 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 29.356 10.862 -9.594) 32.738 1.561 ( 16.559 24.747 7.350) 30.670 2.396 ( 4.395 0.672 3.458) 5.632 2.505 ( 6.259 2.645 8.003) 10.498 2.732 ( 20.978 4.172 14.411) 25.791 2.956 ( 5.038 0.414 -3.440) 6.115 3.464 ( -7.785 0.379 -4.979) 9.249 3.731 ( -7.019 -5.525 -1.762) 9.105 3.848 ( -5.617 0.632 -2.095) 6.028 3.916 ( -3.800 -8.925 -7.559) 12.298 4.120 ( -9.331 2.476 -5.334) 11.029 4.221 ( -5.741 -2.469 -6.624) 9.107 4.286 ( 13.713 3.245 -6.186) 15.389 4.447 ( -6.377 6.762 -4.540) 10.345 4.522 ( -2.969 12.165 -5.441) 13.653 4.879 ( -4.851 23.386 2.014) 23.968 5.042 ( 9.337 -2.419 15.245) 18.040 5.360 ( 19.200 -4.469 16.834) 25.923 6.405 ( -1.543 -9.295 -0.155) 9.423 6.552 ( -7.586 -5.005 -7.177) 11.581 6.665 ( -11.675 -0.928 -1.463) 11.803 6.760 ( -11.671 -5.331 0.580) 12.844 6.887 ( -4.631 -2.675 -7.545) 9.248 7.081 ( -5.441 -2.396 -5.741) 8.265 7.141 ( -1.876 -3.554 -5.561) 6.861 7.184 ( -5.581 -2.722 -0.903) 6.275 7.357 ( -11.601 -3.930 1.365) 12.325 7.530 ( -6.867 -4.451 1.450) 8.311 7.912 ( 5.520 12.393 3.696) 14.062 8.062 ( 4.317 8.006 0.501) 9.110 8.225 ( 8.624 3.738 0.878) 9.440 8.465 ( 1.269 3.171 10.529) 11.070 9.164 ( 13.384 5.739 -5.966) 15.737 9.863 ( 4.830 -2.592 -4.186) 6.897 10.190 ( -5.396 2.441 1.485) 6.106 10.333 ( -1.000 1.269 1.542) 2.233 11.691 ( 5.210 1.639 -0.500) 5.484 11.986 ( 23.888 0.219 -7.475) 25.032 12.554 ( 5.353 7.020 4.233) 9.790 12.818 ( 2.132 3.543 7.200) 8.303 13.098 ( 7.359 1.796 6.949) 10.279 13.424 ( -15.966 1.532 -12.596) 20.394 13.883 ( -0.289 -4.074 -10.916) 11.655 14.065 ( -2.354 3.190 3.920) 5.575 14.333 ( -2.233 -6.138 7.977) 10.310 14.622 ( 1.743 -4.377 4.938) 6.824 14.715 ( -9.203 -4.892 6.978) 12.542 14.796 ( 1.216 -7.958 3.285) 8.695 15.419 ( 0.966 2.030 1.384) 2.640 15.585 ( -2.255 2.950 -1.441) 3.983 15.823 ( -5.229 -4.290 2.467) 7.199 16.025 ( -2.379 0.332 0.324) 2.424 16.031 ( -3.606 -1.814 -2.789) 4.907 16.089 ( -1.283 0.719 0.018) 1.471 16.201 ( 1.983 -1.778 0.488) 2.707 16.579 ( 2.393 -13.620 -0.585) 13.841 16.841 ( 0.451 5.459 -0.104) 5.478 17.230 ( -10.523 13.059 -5.837) 17.758 17.556 ( 0.298 -4.775 0.120) 4.786 17.627 ( -1.945 1.681 -1.336) 2.897 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 28.285 4.938 -7.325) 29.633 1.910 ( 19.016 12.459 2.019) 22.824 2.465 ( 4.650 4.707 -2.169) 6.963 2.573 ( 1.819 1.568 2.720) 3.629 3.037 ( 5.537 -1.713 -1.880) 6.093 3.093 ( 8.066 -2.535 1.989) 8.685 3.258 ( -12.053 -2.503 -5.189) 13.359 3.555 ( -11.377 -6.592 2.236) 13.338 3.749 ( -3.784 0.532 -1.080) 3.971 3.857 ( -2.523 -2.327 -5.513) 6.494 3.931 ( -9.403 2.261 -4.262) 10.569 4.007 ( -11.578 -4.415 0.196) 12.392 4.357 ( -1.790 19.584 -2.196) 19.788 4.612 ( 5.692 14.073 -6.024) 16.332 4.679 ( 23.312 1.359 -11.790) 26.159 4.778 ( 2.644 16.532 -2.168) 16.882 5.301 ( 17.431 1.606 13.761) 22.267 5.754 ( 17.363 -3.738 14.230) 22.759 6.184 ( -19.395 -3.873 -9.075) 21.761 6.360 ( -15.111 -2.200 -4.239) 15.848 6.380 ( -13.628 -0.662 -2.466) 13.865 6.664 ( 0.664 -9.639 3.584) 10.305 6.822 ( -3.621 -2.559 -6.455) 7.831 6.978 ( -4.862 -1.154 -2.118) 5.428 7.045 ( -8.041 -3.634 -2.060) 9.061 7.055 ( -10.212 -2.845 -1.080) 10.656 7.197 ( -0.581 -5.334 -1.273) 5.514 7.413 ( -5.269 -6.761 -1.162) 8.650 8.031 ( 6.238 9.665 3.578) 12.047 8.143 ( 3.369 7.243 1.236) 8.083 8.371 ( 6.405 2.934 3.169) 7.725 8.499 ( 1.580 1.763 9.571) 9.859 9.396 ( 11.161 6.642 -3.966) 13.580 9.941 ( 0.210 2.448 -3.931) 4.635 10.096 ( -1.641 0.570 3.335) 3.761 10.305 ( -1.956 0.440 1.256) 2.365 11.853 ( 11.814 2.961 -4.230) 12.893 12.394 ( 16.441 0.590 -10.799) 19.679 12.651 ( 3.847 7.214 1.207) 8.264 12.920 ( 9.329 -2.912 5.644) 11.286 12.998 ( -19.106 2.933 -9.733) 21.641 13.321 ( 7.150 1.009 6.173) 9.500 13.848 ( -3.907 -3.287 -9.477) 10.765 13.985 ( -5.798 3.996 6.430) 9.536 14.255 ( -4.520 -4.369 8.606) 10.657 14.485 ( -9.637 -2.671 4.477) 10.957 14.728 ( 4.446 -6.339 11.622) 13.965 14.821 ( 1.045 -8.591 5.899) 10.473 15.440 ( 1.191 1.874 1.191) 2.520 15.541 ( -2.334 2.752 -0.435) 3.634 15.753 ( -1.717 -3.101 0.968) 3.674 15.946 ( -4.997 -2.482 -2.514) 6.120 15.991 ( -1.049 1.295 1.328) 2.131 16.057 ( -1.936 1.401 0.713) 2.494 16.259 ( 4.173 -3.101 0.306) 5.208 16.576 ( -2.568 -11.254 -0.476) 11.554 16.854 ( 0.923 5.839 -0.150) 5.914 17.051 ( -7.814 10.725 -2.335) 13.474 17.561 ( 0.230 -4.556 -0.011) 4.562 17.593 ( -1.461 -0.845 -0.595) 1.789 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 17.063 1.800 1.631) 17.235 2.240 ( 11.143 0.799 -3.503) 11.708 2.542 ( 0.528 7.159 -2.173) 7.500 2.589 ( 1.641 10.732 -0.396) 10.864 2.984 ( -7.350 -0.667 -10.690) 12.990 3.031 ( -7.325 -4.278 -8.347) 11.901 3.245 ( 5.723 -11.013 2.041) 12.578 3.359 ( -7.311 -11.373 4.913) 14.386 3.706 ( -0.216 -0.649 -3.408) 3.476 3.764 ( -6.284 -0.871 -4.247) 7.635 3.817 ( -1.269 0.446 -0.029) 1.345 3.852 ( -4.793 -1.571 0.242) 5.049 4.393 ( 4.762 26.847 1.095) 27.288 4.517 ( -7.639 28.978 1.797) 30.021 5.139 ( 26.692 1.034 -12.691) 29.574 5.198 ( 28.312 2.321 -10.049) 30.132 5.650 ( -10.433 1.510 -4.518) 11.469 5.683 ( -0.113 0.369 2.493) 2.523 5.768 ( -18.498 1.536 -5.578) 19.382 6.082 ( -18.482 -0.218 4.170) 18.948 6.361 ( 16.127 -6.194 6.142) 18.335 6.669 ( -12.736 -5.415 0.321) 13.843 6.714 ( 3.831 -8.165 2.773) 9.436 6.837 ( -8.834 -5.313 1.121) 10.369 6.925 ( -1.130 -0.913 -0.948) 1.734 6.944 ( -2.922 0.139 -3.669) 4.692 7.243 ( 3.871 -7.129 -3.401) 8.796 7.323 ( -4.271 -8.124 -3.411) 9.792 8.133 ( 3.958 8.498 2.950) 9.828 8.175 ( -0.245 7.833 2.147) 8.126 8.468 ( 3.645 1.889 5.344) 6.738 8.510 ( -0.663 1.364 7.451) 7.604 9.609 ( 11.086 6.744 -2.249) 13.169 9.817 ( -9.995 6.153 -2.277) 11.956 10.163 ( 5.376 -1.402 1.894) 5.869 10.252 ( -3.666 -0.560 1.236) 3.909 12.144 ( 18.071 3.302 -8.150) 20.097 12.501 ( -13.650 1.126 -10.788) 17.435 12.668 ( -0.193 7.319 -5.809) 9.347 12.702 ( -2.104 8.015 -2.514) 8.659 13.188 ( 15.519 -9.672 -0.038) 18.286 13.402 ( -3.055 -8.717 2.541) 9.580 13.767 ( -0.854 3.987 -1.756) 4.439 13.854 ( -7.206 5.248 6.447) 11.002 14.224 ( 2.047 -2.406 10.827) 11.279 14.320 ( -7.240 -2.147 10.621) 13.032 14.801 ( 2.774 -7.431 8.658) 11.742 14.830 ( -0.339 -8.176 7.572) 11.149 15.465 ( 1.460 1.928 0.914) 2.585 15.498 ( -1.983 2.336 0.414) 3.092 15.763 ( 2.735 -2.728 -0.001) 3.863 15.845 ( -5.208 -2.604 -1.239) 5.953 15.990 ( 0.832 1.726 1.483) 2.423 16.018 ( -1.960 1.797 1.234) 2.932 16.362 ( 6.327 -5.035 -0.083) 8.087 16.487 ( -6.159 -8.041 -0.337) 10.135 16.880 ( 1.923 6.741 -0.211) 7.013 16.936 ( -4.182 8.547 -0.701) 9.541 17.565 ( 0.252 -3.966 -0.120) 3.975 17.573 ( -0.674 -2.808 -0.252) 2.899 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.000 13.808 28.834) 31.970 1.519 ( 0.000 24.570 15.596) 29.102 1.997 ( 0.000 -16.794 10.982) 20.066 2.450 ( 0.000 -15.575 6.804) 16.997 2.743 ( 0.000 49.109 5.555) 49.422 3.098 ( 0.000 14.128 -1.301) 14.188 3.485 ( 0.000 0.657 -3.102) 3.171 3.737 ( 0.000 -10.897 -3.934) 11.586 3.783 ( 0.000 -12.976 1.782) 13.098 4.031 ( 0.000 3.421 -3.587) 4.957 4.074 ( 0.000 8.625 -4.608) 9.779 4.301 ( 0.000 -15.588 0.190) 15.590 4.326 ( 0.000 -5.728 6.880) 8.952 4.548 ( 0.000 -9.220 -2.512) 9.556 4.603 ( 0.000 2.885 8.376) 8.859 4.683 ( 0.000 -1.947 7.955) 8.189 5.186 ( 0.000 17.232 -8.826) 19.360 5.691 ( 0.000 25.048 -0.354) 25.051 6.047 ( 0.000 -11.375 7.008) 13.360 6.670 ( 0.000 -0.814 -10.415) 10.447 6.769 ( 0.000 -3.992 -7.787) 8.751 6.916 ( 0.000 -14.035 0.352) 14.040 7.023 ( 0.000 -3.477 0.363) 3.496 7.101 ( 0.000 -8.311 4.351) 9.381 7.139 ( 0.000 -0.520 -8.249) 8.265 7.163 ( 0.000 -2.124 -10.046) 10.269 7.507 ( 0.000 -0.560 5.245) 5.274 7.624 ( 0.000 -7.325 3.472) 8.106 8.141 ( 0.000 8.784 -0.811) 8.821 8.143 ( 0.000 10.719 -2.244) 10.951 8.237 ( 0.000 6.907 -1.112) 6.996 8.556 ( 0.000 -6.240 -5.183) 8.112 8.940 ( 0.000 15.126 1.263) 15.179 9.467 ( 0.000 -8.896 -2.766) 9.316 10.320 ( 0.000 2.196 -0.035) 2.196 10.401 ( 0.000 1.211 -0.605) 1.354 11.530 ( 0.000 6.586 2.198) 6.943 11.639 ( 0.000 0.002 2.697) 2.697 12.699 ( 0.000 15.159 6.127) 16.350 12.933 ( 0.000 6.282 2.212) 6.660 13.078 ( 0.000 11.816 8.216) 14.392 13.538 ( 0.000 -8.489 -9.965) 13.091 13.885 ( 0.000 -9.117 -7.105) 11.559 13.968 ( 0.000 -10.340 5.190) 11.569 14.242 ( 0.000 0.846 7.277) 7.326 14.480 ( 0.000 -6.827 -0.610) 6.854 14.606 ( 0.000 3.024 5.304) 6.105 14.889 ( 0.000 -6.949 -1.615) 7.134 15.468 ( 0.000 4.362 1.940) 4.774 15.723 ( 0.000 1.888 -3.134) 3.659 15.800 ( 0.000 -6.626 5.331) 8.504 16.048 ( 0.000 -6.062 -3.443) 6.972 16.100 ( 0.000 0.297 -0.150) 0.333 16.109 ( 0.000 -0.189 -1.657) 1.668 16.158 ( 0.000 -0.181 -0.161) 0.243 16.204 ( 0.000 -3.922 -0.197) 3.927 16.989 ( 0.000 8.913 0.031) 8.913 17.399 ( 0.000 -8.582 0.064) 8.582 17.736 ( 0.000 3.673 -4.026) 5.450 17.791 ( 0.000 2.867 -13.446) 13.748 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 1.827 20.938 10.812) 23.636 1.763 ( 15.088 18.173 18.139) 29.781 2.033 ( 4.284 -17.725 5.454) 19.033 2.458 ( 1.041 -11.791 7.304) 13.909 2.861 ( 10.963 40.993 7.175) 43.036 3.080 ( -1.612 12.360 -1.945) 12.615 3.505 ( 1.176 0.552 -2.729) 3.022 3.703 ( -3.720 -8.868 -1.571) 9.744 3.745 ( -2.320 -11.504 -2.290) 11.957 4.013 ( -3.075 6.030 -5.623) 8.800 4.116 ( 3.568 2.223 -7.534) 8.628 4.237 ( -1.311 -3.909 0.853) 4.211 4.302 ( -4.537 -5.421 0.243) 7.073 4.485 ( -4.885 -7.193 -1.876) 8.895 4.749 ( 5.537 -4.766 9.552) 12.025 4.767 ( 13.866 -5.157 11.801) 18.924 5.148 ( -2.019 21.796 -3.983) 22.249 5.666 ( -2.928 28.401 0.731) 28.561 6.062 ( 1.933 -15.005 5.878) 16.231 6.618 ( -5.403 -0.227 -8.847) 10.369 6.724 ( -3.835 -5.372 -6.350) 9.159 6.843 ( -7.475 -11.800 0.073) 13.969 6.960 ( -7.674 -2.506 -2.919) 8.584 7.021 ( -3.002 -5.610 -1.844) 6.624 7.134 ( -2.260 -1.697 -8.600) 9.052 7.174 ( -0.500 -3.977 -2.718) 4.843 7.465 ( -5.218 -1.523 3.649) 6.547 7.543 ( -7.184 -6.551 3.428) 10.309 8.131 ( 0.038 9.520 -0.727) 9.547 8.185 ( 1.059 6.462 -3.130) 7.258 8.232 ( 3.336 9.149 1.730) 9.891 8.517 ( -2.330 -2.761 2.568) 4.432 9.082 ( 12.743 12.680 -2.320) 18.126 9.586 ( 9.455 -9.428 -3.986) 13.935 10.306 ( -1.559 2.562 -0.555) 3.051 10.391 ( -1.055 1.088 -0.559) 1.615 11.633 ( 8.088 3.251 2.208) 8.992 11.676 ( 6.409 1.417 0.608) 6.592 12.712 ( 1.451 14.009 5.812) 15.236 12.963 ( 2.700 8.442 2.735) 9.276 13.087 ( 1.048 8.710 7.129) 11.305 13.542 ( -0.259 -5.686 -8.611) 10.322 13.820 ( -5.017 -8.020 -7.809) 12.267 14.006 ( 2.238 -10.958 3.065) 11.596 14.246 ( 0.295 0.745 7.945) 7.986 14.499 ( 1.394 -7.538 -0.658) 7.693 14.587 ( -1.600 0.606 7.289) 7.487 14.815 ( -7.038 -5.974 -0.811) 9.267 15.472 ( 0.373 4.217 1.820) 4.608 15.703 ( -1.773 1.613 -2.646) 3.571 15.777 ( -2.206 -4.431 3.954) 6.335 16.019 ( -2.602 -5.155 -3.681) 6.848 16.084 ( -1.575 0.713 -0.208) 1.742 16.109 ( -0.130 -0.030 -0.620) 0.635 16.161 ( 0.207 -0.281 0.316) 0.471 16.254 ( 4.180 -7.124 0.072) 8.260 16.991 ( 0.244 8.940 -0.021) 8.943 17.402 ( 0.229 -8.548 -0.002) 8.551 17.657 ( -8.396 5.599 -7.371) 12.497 17.736 ( -4.233 2.049 -6.721) 8.203 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 20.168 16.880 -5.988) 26.973 1.988 ( 8.595 14.086 9.911) 19.249 2.190 ( 11.899 -13.688 -0.581) 18.146 2.499 ( 3.280 -5.894 6.740) 9.536 3.049 ( -0.841 8.746 -2.459) 9.124 3.058 ( 5.919 17.447 3.000) 18.667 3.459 ( -7.402 -1.223 -3.472) 8.266 3.584 ( -7.825 -8.176 -0.347) 11.322 3.779 ( 5.747 0.385 -2.486) 6.273 3.907 ( -6.955 4.605 -2.828) 8.808 4.114 ( -5.891 -3.063 -6.174) 9.067 4.149 ( -10.894 -4.610 -5.256) 12.945 4.354 ( 13.172 3.120 -5.600) 14.649 4.445 ( 4.642 -0.967 -3.577) 5.940 4.804 ( 1.306 4.742 1.361) 5.104 5.120 ( 20.405 -5.351 15.066) 25.923 5.205 ( 9.446 16.547 9.627) 21.348 5.572 ( -6.337 30.584 2.521) 31.336 6.120 ( 3.228 -17.535 3.027) 18.085 6.489 ( -7.583 -1.195 -5.405) 9.389 6.572 ( -13.420 -7.137 -3.783) 15.664 6.659 ( -10.468 -5.301 -0.304) 11.738 6.829 ( -4.732 -1.788 -6.863) 8.526 6.978 ( -1.923 -7.199 -6.816) 10.099 7.065 ( -4.450 -2.541 -4.802) 7.023 7.113 ( -5.466 -4.421 -3.812) 7.997 7.277 ( -13.254 -1.954 1.856) 13.525 7.399 ( -7.866 -6.350 4.605) 11.109 8.160 ( 3.194 9.138 2.448) 9.985 8.216 ( 3.134 5.799 -2.647) 7.103 8.341 ( 6.199 6.076 2.349) 8.992 8.505 ( 0.810 -0.211 8.237) 8.279 9.348 ( 13.510 10.804 -4.409) 17.852 9.764 ( 8.887 -6.727 -2.855) 11.505 10.255 ( -3.859 3.639 -1.574) 5.533 10.361 ( -2.147 0.480 -0.419) 2.240 11.752 ( 7.714 4.145 0.087) 8.757 11.960 ( 18.861 -3.179 -3.124) 19.381 12.755 ( 2.931 11.354 5.295) 12.866 13.010 ( 1.503 14.401 2.610) 14.713 13.116 ( 1.061 -1.218 3.761) 4.093 13.489 ( -5.750 5.525 -5.845) 9.887 13.738 ( -2.568 -10.763 -9.214) 14.399 14.021 ( -1.382 -10.636 1.555) 10.838 14.247 ( -0.406 1.539 9.519) 9.651 14.506 ( -1.399 -8.096 -1.262) 8.313 14.562 ( -0.959 -4.125 11.382) 12.144 14.665 ( -6.509 -4.821 3.525) 8.834 15.481 ( 0.619 3.766 1.515) 4.107 15.664 ( -2.126 1.886 -1.858) 3.396 15.723 ( -3.091 -2.102 2.100) 4.288 15.956 ( -3.838 -4.821 -3.430) 7.052 16.051 ( -1.587 1.516 0.760) 2.322 16.104 ( -0.234 0.438 -0.265) 0.563 16.166 ( 0.349 -1.016 1.254) 1.651 16.328 ( 2.852 -9.452 0.362) 9.880 17.000 ( 0.635 9.010 -0.121) 9.033 17.405 ( -0.364 -7.203 -0.745) 7.251 17.463 ( -9.968 7.029 -4.687) 13.067 17.644 ( -5.126 -0.612 -3.067) 6.004 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 22.943 10.346 -8.723) 26.636 2.143 ( 8.323 8.209 2.149) 11.886 2.451 ( 14.451 -6.821 -1.347) 16.037 2.575 ( 3.961 -2.495 3.157) 5.647 3.034 ( -0.625 2.509 -2.176) 3.379 3.067 ( -4.552 1.176 -3.294) 5.741 3.248 ( -12.761 0.896 -5.837) 14.061 3.405 ( -10.747 -7.481 -0.583) 13.107 3.772 ( -6.071 2.068 1.025) 6.495 3.849 ( -1.987 1.217 -2.467) 3.394 3.919 ( -9.750 -2.370 -2.197) 10.271 3.963 ( -8.476 -1.028 -2.823) 8.993 4.686 ( 20.425 3.881 -10.582) 23.328 4.722 ( 22.428 2.190 -10.304) 24.779 4.885 ( 8.081 22.253 -0.372) 23.678 5.375 ( -2.510 25.323 3.694) 25.714 5.426 ( 12.065 15.189 11.252) 22.425 5.628 ( 20.623 -6.354 15.117) 26.348 6.074 ( -13.053 -7.335 -7.186) 16.608 6.298 ( -14.169 -2.149 -2.753) 14.593 6.347 ( -5.595 -11.240 -1.291) 12.621 6.429 ( -10.180 -4.587 1.964) 11.337 6.740 ( -7.436 -4.503 -6.525) 10.870 6.888 ( -8.876 -8.833 -1.961) 12.674 6.953 ( -7.277 -2.461 -0.922) 7.737 7.043 ( -7.643 1.437 -0.488) 7.793 7.043 ( -0.221 -7.458 -6.047) 9.604 7.244 ( -7.416 -7.624 2.563) 10.940 8.243 ( 4.896 8.676 3.718) 10.634 8.294 ( 4.181 5.854 -0.306) 7.201 8.444 ( 4.315 3.356 2.946) 6.210 8.525 ( 0.849 0.179 8.545) 8.589 9.585 ( 11.242 10.214 -4.030) 15.715 9.932 ( 8.240 -3.897 -1.967) 9.325 10.154 ( -6.438 4.750 -1.755) 8.191 10.307 ( -3.478 -0.789 -0.493) 3.600 11.957 ( 13.546 6.946 -3.430) 15.605 12.336 ( 18.966 -6.996 -7.227) 21.468 12.816 ( 2.748 7.278 4.292) 8.885 12.969 ( -9.113 5.456 -6.558) 12.483 13.094 ( -0.755 8.338 3.184) 8.957 13.385 ( -3.833 6.273 -0.863) 7.402 13.718 ( 0.108 -9.801 -4.501) 10.785 13.941 ( -6.261 -10.633 1.543) 12.436 14.235 ( -0.524 4.467 10.773) 11.674 14.414 ( -6.496 -3.310 4.370) 8.500 14.570 ( 1.810 -7.201 12.129) 14.221 14.615 ( -0.114 -9.158 6.062) 10.983 15.496 ( 0.976 3.264 1.127) 3.589 15.623 ( -2.410 4.189 -1.075) 4.951 15.674 ( -1.289 -3.327 1.169) 3.755 15.871 ( -4.995 -4.628 -2.304) 7.188 16.031 ( -0.250 2.430 1.457) 2.845 16.097 ( -0.741 2.201 0.172) 2.329 16.185 ( 1.927 -3.302 1.337) 4.051 16.351 ( -0.476 -9.326 0.439) 9.349 17.018 ( 1.359 9.129 -0.217) 9.233 17.267 ( -8.536 9.230 -2.800) 12.880 17.423 ( 0.666 -8.094 -0.036) 8.121 17.550 ( -4.395 -3.503 -1.566) 5.834 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 12.997 6.508 -2.550) 14.758 2.302 ( 6.011 5.013 -1.928) 8.061 2.636 ( 4.532 -1.390 -4.155) 6.304 2.727 ( 12.069 -9.455 -2.874) 15.599 2.868 ( -12.109 5.718 -5.632) 14.527 2.993 ( -9.238 -1.168 -1.574) 9.443 3.095 ( 1.416 -1.659 -3.228) 3.896 3.203 ( -8.796 -5.197 0.335) 10.222 3.704 ( -0.489 1.062 -0.720) 1.373 3.743 ( -4.318 -0.537 -2.822) 5.186 3.815 ( -3.129 -0.949 -0.490) 3.306 3.829 ( -4.601 -1.388 -0.038) 4.806 5.015 ( 9.574 24.639 -6.558) 27.235 5.132 ( 13.437 15.088 -8.537) 21.934 5.177 ( 13.892 10.758 -9.478) 19.964 5.328 ( 16.516 16.170 -2.409) 23.239 5.653 ( -21.217 -0.483 -9.446) 23.230 5.768 ( 17.320 7.389 9.938) 21.292 5.806 ( -19.638 2.988 -2.630) 20.038 6.122 ( -14.511 3.319 3.888) 15.385 6.186 ( 14.135 -9.336 5.907) 17.940 6.438 ( 6.362 -18.480 5.203) 20.225 6.516 ( -14.443 -8.736 2.637) 17.085 6.634 ( -14.213 -14.658 3.105) 20.652 6.909 ( 0.661 0.224 -2.178) 2.287 6.945 ( -3.070 1.027 -3.382) 4.681 7.075 ( 2.406 -7.643 -4.937) 9.412 7.135 ( -4.072 -8.022 -2.287) 9.282 8.326 ( 3.210 8.447 3.536) 9.704 8.350 ( 1.027 7.463 1.902) 7.770 8.505 ( 2.065 0.921 4.313) 4.869 8.529 ( -0.518 -0.100 6.562) 6.583 9.791 ( 10.332 9.473 -3.275) 14.395 9.975 ( -7.772 7.752 -3.607) 11.554 10.110 ( 5.798 -3.770 0.016) 6.916 10.224 ( -5.243 -2.487 -0.566) 5.830 12.263 ( 17.633 7.949 -7.196) 20.638 12.569 ( -6.156 3.996 -10.243) 12.601 12.751 ( 0.960 -4.750 -6.962) 8.483 12.846 ( -2.138 3.478 -2.378) 4.725 13.137 ( 5.090 9.906 4.186) 11.898 13.279 ( -7.948 0.872 0.487) 8.011 13.747 ( 2.975 -7.522 1.533) 8.232 13.825 ( -5.109 -9.713 2.918) 11.356 14.241 ( 1.613 5.297 11.564) 12.821 14.303 ( -4.711 1.913 10.280) 11.469 14.606 ( 1.413 -9.894 9.445) 13.751 14.618 ( 0.014 -10.537 7.832) 13.128 15.523 ( 1.910 3.367 0.686) 3.931 15.569 ( -2.819 4.215 0.041) 5.071 15.690 ( 2.828 -3.918 0.166) 4.835 15.771 ( -5.092 -4.246 -0.942) 6.696 16.042 ( 1.273 3.215 1.507) 3.772 16.073 ( -1.650 3.360 1.039) 3.885 16.242 ( 3.730 -5.760 0.712) 6.899 16.313 ( -3.236 -7.826 0.470) 8.481 17.056 ( 2.787 9.324 -0.441) 9.742 17.133 ( -5.341 9.502 -1.149) 10.960 17.442 ( 1.395 -7.411 -0.302) 7.547 17.481 ( -2.738 -5.883 -0.731) 6.530 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.000 -16.421 18.505) 24.740 1.607 ( 0.000 16.421 18.505) 24.740 2.046 ( 0.000 -21.573 11.334) 24.369 2.046 ( 0.000 21.573 11.334) 24.369 3.385 ( 0.000 -6.788 -3.786) 7.773 3.385 ( 0.000 6.788 -3.786) 7.773 3.546 ( 0.000 -5.960 -3.000) 6.673 3.546 ( 0.000 5.960 -3.000) 6.673 3.746 ( 0.000 -25.835 1.661) 25.888 3.746 ( 0.000 25.835 1.661) 25.888 4.168 ( 0.000 -2.760 3.966) 4.832 4.168 ( 0.000 2.760 3.966) 4.832 4.334 ( 0.000 -9.128 -4.687) 10.261 4.334 ( 0.000 9.128 -4.687) 10.261 4.650 ( 0.000 -1.690 8.614) 8.778 4.650 ( 0.000 1.690 8.614) 8.778 5.569 ( 0.000 -18.416 -0.668) 18.428 5.569 ( 0.000 18.416 -0.668) 18.428 6.434 ( 0.000 -28.076 1.297) 28.106 6.434 ( 0.000 28.076 1.297) 28.106 6.697 ( 0.000 -2.048 -8.102) 8.357 6.697 ( 0.000 2.048 -8.102) 8.357 6.998 ( 0.000 -1.389 1.706) 2.200 6.998 ( 0.000 1.389 1.706) 2.200 7.140 ( 0.000 -0.497 -9.878) 9.891 7.140 ( 0.000 0.497 -9.878) 9.891 7.523 ( 0.000 -2.359 4.964) 5.496 7.523 ( 0.000 2.359 4.964) 5.496 8.252 ( 0.000 -0.865 -0.595) 1.050 8.252 ( 0.000 0.865 -0.595) 1.050 8.397 ( 0.000 -8.302 -2.708) 8.732 8.397 ( 0.000 8.302 -2.708) 8.732 9.237 ( 0.000 -12.565 -1.174) 12.620 9.237 ( 0.000 12.565 -1.174) 12.620 10.381 ( 0.000 -2.690 -1.283) 2.980 10.381 ( 0.000 2.690 -1.283) 2.980 11.622 ( 0.000 -2.091 2.535) 3.286 11.622 ( 0.000 2.091 2.535) 3.286 12.965 ( 0.000 -5.924 5.780) 8.277 12.965 ( 0.000 5.924 5.780) 8.277 13.362 ( 0.000 -10.578 -2.511) 10.872 13.362 ( 0.000 10.578 -2.511) 10.872 13.739 ( 0.000 -3.269 2.430) 4.073 13.739 ( 0.000 3.269 2.430) 4.073 14.334 ( 0.000 -6.116 2.137) 6.479 14.334 ( 0.000 6.116 2.137) 6.479 14.735 ( 0.000 -7.292 -0.697) 7.325 14.735 ( 0.000 7.292 -0.697) 7.325 15.590 ( 0.000 -7.131 2.273) 7.484 15.590 ( 0.000 7.131 2.273) 7.484 15.889 ( 0.000 -7.571 -2.612) 8.009 15.889 ( 0.000 7.571 -2.612) 8.009 16.106 ( 0.000 -0.202 -0.965) 0.986 16.106 ( 0.000 0.202 -0.965) 0.986 16.162 ( 0.000 -0.755 0.108) 0.763 16.162 ( 0.000 0.755 0.108) 0.763 17.196 ( 0.000 -10.083 0.032) 10.083 17.196 ( 0.000 10.083 0.032) 10.083 17.796 ( 0.000 -1.669 -7.580) 7.761 17.796 ( 0.000 1.669 -7.580) 7.761 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 3.996 -19.657 8.908) 21.948 1.625 ( 3.996 19.657 8.908) 21.948 2.145 ( 8.133 -16.956 12.702) 22.693 2.145 ( 8.133 16.956 12.702) 22.693 3.322 ( -5.178 -4.852 -5.615) 9.049 3.322 ( -5.178 4.852 -5.615) 9.049 3.534 ( -2.482 -2.853 -0.864) 3.879 3.534 ( -2.482 2.853 -0.864) 3.879 3.831 ( 8.028 -22.533 0.168) 23.921 3.831 ( 8.028 22.533 0.168) 23.921 4.159 ( -2.726 -5.658 -3.027) 6.973 4.159 ( -2.726 5.658 -3.027) 6.973 4.319 ( 0.321 -7.408 -0.675) 7.445 4.319 ( 0.321 7.408 -0.675) 7.445 4.705 ( 6.100 -0.503 10.366) 12.038 4.705 ( 6.100 0.503 10.366) 12.038 5.594 ( 2.670 -20.121 1.172) 20.331 5.594 ( 2.670 20.121 1.172) 20.331 6.376 ( -5.989 -27.393 1.443) 28.077 6.376 ( -5.989 27.393 1.443) 28.077 6.655 ( -3.736 -3.399 -8.343) 9.753 6.655 ( -3.736 3.399 -8.343) 9.753 6.946 ( -5.213 -1.346 -0.696) 5.429 6.946 ( -5.213 1.346 -0.696) 5.429 7.124 ( -1.964 -0.791 -7.683) 7.969 7.124 ( -1.964 0.791 -7.683) 7.969 7.460 ( -6.293 -1.398 4.261) 7.728 7.460 ( -6.293 1.398 4.261) 7.728 8.249 ( -0.087 -1.374 -2.423) 2.787 8.249 ( -0.087 1.374 -2.423) 2.787 8.404 ( 1.491 -7.086 2.364) 7.618 8.404 ( 1.491 7.086 2.364) 7.618 9.356 ( 10.606 -12.175 -2.459) 16.333 9.356 ( 10.606 12.175 -2.459) 16.333 10.370 ( -1.199 -2.722 -1.547) 3.353 10.370 ( -1.199 2.722 -1.547) 3.353 11.680 ( 6.184 -1.153 1.879) 6.565 11.680 ( 6.184 1.153 1.879) 6.565 12.976 ( 0.969 -7.827 5.172) 9.431 12.976 ( 0.969 7.827 5.172) 9.431 13.373 ( 0.936 -13.934 -2.320) 14.156 13.373 ( 0.936 13.934 -2.320) 14.156 13.741 ( 0.014 -8.009 1.660) 8.179 13.741 ( 0.014 8.009 1.660) 8.179 14.339 ( 0.267 -6.460 2.215) 6.834 14.339 ( 0.267 6.460 2.215) 6.834 14.682 ( -5.004 -6.165 1.045) 8.009 14.682 ( -5.004 6.165 1.045) 8.009 15.586 ( -0.364 -6.511 1.971) 6.813 15.586 ( -0.364 6.511 1.971) 6.813 15.875 ( -1.601 -7.387 -2.622) 8.000 15.875 ( -1.601 7.387 -2.622) 8.000 16.100 ( -0.592 -0.741 -0.343) 1.008 16.100 ( -0.592 0.741 -0.343) 1.008 16.170 ( 0.835 -1.485 0.260) 1.724 16.170 ( 0.835 1.485 0.260) 1.724 17.199 ( 0.271 -10.086 -0.004) 10.090 17.199 ( 0.271 10.086 -0.004) 10.090 17.735 ( -5.919 -1.921 -6.540) 9.028 17.735 ( -5.919 1.921 -6.540) 9.028 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 13.803 -17.744 -3.563) 22.761 1.802 ( 13.803 17.744 -3.563) 22.761 2.303 ( 7.842 -11.654 11.012) 17.849 2.303 ( 7.842 11.654 11.012) 17.849 3.212 ( -6.038 -3.874 -7.107) 10.099 3.212 ( -6.038 3.874 -7.107) 10.099 3.442 ( -6.868 -2.255 -0.161) 7.231 3.442 ( -6.868 2.255 -0.161) 7.231 3.962 ( 2.278 -11.049 -2.066) 11.469 3.962 ( 2.278 11.049 -2.066) 11.469 4.030 ( -9.315 -5.917 -4.621) 11.963 4.030 ( -9.315 5.917 -4.621) 11.963 4.414 ( 10.661 -2.241 -4.828) 11.916 4.414 ( 10.661 2.241 -4.828) 11.916 4.919 ( 16.633 -8.481 13.461) 23.017 4.919 ( 16.633 8.481 13.461) 23.017 5.669 ( 4.963 -22.328 4.431) 23.298 5.669 ( 4.963 22.328 4.431) 23.298 6.222 ( -9.447 -25.015 -0.196) 26.741 6.222 ( -9.447 25.015 -0.196) 26.741 6.543 ( -8.770 -3.821 -3.711) 10.261 6.543 ( -8.770 3.821 -3.711) 10.261 6.842 ( -4.608 -3.493 -7.235) 9.262 6.842 ( -4.608 3.493 -7.235) 9.262 7.048 ( -5.919 -1.093 -5.435) 8.109 7.048 ( -5.919 1.093 -5.435) 8.109 7.296 ( -10.086 -3.194 4.164) 11.370 7.296 ( -10.086 3.194 4.164) 11.370 8.272 ( 2.924 -1.269 -1.162) 3.392 8.272 ( 2.924 1.269 -1.162) 3.392 8.454 ( 3.037 -4.246 5.691) 7.722 8.454 ( 3.037 4.246 5.691) 7.722 9.581 ( 11.772 -10.277 -3.218) 15.955 9.581 ( 11.772 10.277 -3.218) 15.955 10.332 ( -2.879 -3.017 -2.070) 4.656 10.332 ( -2.879 3.017 -2.070) 4.656 11.860 ( 12.298 -5.526 -0.261) 13.485 11.860 ( 12.298 5.526 -0.261) 13.485 12.993 ( 0.336 -9.386 3.259) 9.941 12.993 ( 0.336 9.386 3.259) 9.941 13.389 ( 0.606 -18.274 -2.227) 18.419 13.389 ( 0.606 18.274 -2.227) 18.419 13.724 ( -2.360 -13.869 0.163) 14.069 13.724 ( -2.360 13.869 0.163) 14.069 14.340 ( -0.068 -6.309 3.185) 7.068 14.340 ( -0.068 6.309 3.185) 7.068 14.573 ( -5.501 -3.388 5.833) 8.704 14.573 ( -5.501 3.388 5.833) 8.704 15.578 ( -0.442 -5.175 1.416) 5.383 15.578 ( -0.442 5.175 1.416) 5.383 15.827 ( -3.244 -6.811 -2.401) 7.917 15.827 ( -3.244 6.811 -2.401) 7.917 16.088 ( -0.484 -1.746 0.684) 1.937 16.088 ( -0.484 1.746 0.684) 1.937 16.190 ( 0.953 -3.590 0.615) 3.765 16.190 ( 0.953 3.590 0.615) 3.765 17.207 ( 0.629 -10.046 -0.097) 10.066 17.207 ( 0.629 10.046 -0.097) 10.066 17.593 ( -8.221 -4.263 -4.344) 10.229 17.593 ( -8.221 4.263 -4.344) 10.229 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 16.326 -10.897 -8.010) 21.200 2.105 ( 16.326 10.897 -8.010) 21.200 2.446 ( 6.903 -7.339 7.034) 12.288 2.446 ( 6.903 7.339 7.034) 12.288 3.095 ( -5.998 -1.663 -7.017) 9.380 3.095 ( -5.998 1.663 -7.017) 9.380 3.278 ( -9.854 -3.175 -1.069) 10.408 3.278 ( -9.854 3.175 -1.069) 10.408 3.831 ( -8.568 -2.959 -0.825) 9.102 3.831 ( -8.568 2.959 -0.825) 9.102 3.923 ( -5.986 -2.383 -2.683) 6.979 3.923 ( -5.986 2.383 -2.683) 6.979 4.731 ( 20.992 -1.124 -12.297) 24.354 4.731 ( 20.992 1.124 -12.297) 24.354 5.319 ( 23.305 -16.409 11.684) 30.804 5.319 ( 23.305 16.409 11.684) 30.804 5.771 ( 4.631 -19.582 5.729) 20.922 5.771 ( 4.631 19.582 5.729) 20.922 6.022 ( -10.572 -20.456 -3.713) 23.324 6.022 ( -10.572 20.456 -3.713) 23.324 6.323 ( -12.956 -5.566 2.564) 14.333 6.323 ( -12.956 5.566 2.564) 14.333 6.712 ( -12.062 -4.099 -8.376) 15.247 6.712 ( -12.062 4.099 -8.376) 15.247 6.946 ( -2.472 -1.844 -3.036) 4.328 6.946 ( -2.472 1.844 -3.036) 4.328 7.112 ( -7.852 -4.816 1.964) 9.419 7.112 ( -7.852 4.816 1.964) 9.419 8.354 ( 5.056 -1.035 1.411) 5.350 8.354 ( 5.056 1.035 1.411) 5.350 8.501 ( 1.505 -2.097 5.660) 6.221 8.501 ( 1.505 2.097 5.660) 6.221 9.793 ( 10.253 -8.666 -2.937) 13.742 9.793 ( 10.253 8.666 -2.937) 13.742 10.256 ( -5.091 -4.014 -2.449) 6.930 10.256 ( -5.091 4.014 -2.449) 6.930 12.141 ( 16.438 -9.849 -3.483) 19.477 12.141 ( 16.438 9.849 -3.483) 19.477 12.958 ( -5.049 -4.986 -1.519) 7.257 12.958 ( -5.049 4.986 -1.519) 7.257 13.400 ( 0.947 -15.965 -1.103) 16.031 13.400 ( 0.947 15.965 -1.103) 16.031 13.643 ( -5.633 -14.033 1.310) 15.178 13.643 ( -5.633 14.033 1.310) 15.178 14.349 ( 1.276 -4.300 6.081) 7.556 14.349 ( 1.276 4.300 6.081) 7.556 14.488 ( -3.394 -1.271 9.574) 10.237 14.488 ( -3.394 1.271 9.574) 10.237 15.575 ( 0.448 -4.073 0.922) 4.201 15.575 ( 0.448 4.073 0.922) 4.201 15.754 ( -4.242 -6.017 -1.554) 7.524 15.754 ( -4.242 6.017 -1.554) 7.524 16.091 ( 0.999 -2.916 1.117) 3.278 16.091 ( 0.999 2.916 1.117) 3.278 16.196 ( -0.488 -4.981 0.912) 5.088 16.196 ( -0.488 4.981 0.912) 5.088 17.224 ( 1.256 -9.836 -0.236) 9.919 17.224 ( 1.256 9.836 -0.236) 9.919 17.441 ( -7.130 -6.667 -2.341) 10.039 17.441 ( -7.130 6.667 -2.341) 10.039 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 12.338 -3.609 -5.960) 14.170 2.390 ( 12.338 3.609 -5.960) 14.170 2.528 ( -0.573 -0.840 0.524) 1.144 2.528 ( -0.573 0.840 0.524) 1.144 3.011 ( -1.011 -3.690 -4.659) 6.029 3.011 ( -1.011 3.690 -4.659) 6.029 3.091 ( -8.333 -4.281 -2.072) 9.595 3.091 ( -8.333 4.281 -2.072) 9.595 3.738 ( -0.564 -0.909 0.405) 1.144 3.738 ( -0.564 0.909 0.405) 1.144 3.797 ( -5.857 -0.463 -1.250) 6.007 3.797 ( -5.857 0.463 -1.250) 6.007 5.172 ( 23.636 -0.316 -15.494) 28.264 5.172 ( 23.636 0.316 -15.494) 28.264 5.575 ( -13.199 -6.449 -10.979) 18.339 5.575 ( -13.199 6.449 -10.979) 18.339 5.828 ( 14.567 -18.182 5.915) 24.036 5.828 ( 14.567 18.182 5.915) 24.036 6.010 ( 10.952 -15.466 8.665) 20.838 6.010 ( 10.952 15.466 8.665) 20.838 6.085 ( -10.765 -14.936 5.982) 19.359 6.085 ( -10.765 14.936 5.982) 19.359 6.375 ( -20.970 -4.554 2.169) 21.568 6.375 ( -20.970 4.554 2.169) 21.568 6.950 ( 1.866 -3.788 -3.992) 5.810 6.950 ( 1.866 3.788 -3.992) 5.810 7.004 ( -3.827 -4.386 -2.392) 6.293 7.004 ( -3.827 4.386 -2.392) 6.293 8.447 ( 4.155 -0.696 3.290) 5.345 8.447 ( 4.155 0.696 3.290) 5.345 8.503 ( -1.436 -0.698 4.668) 4.934 8.503 ( -1.436 0.698 4.668) 4.934 9.978 ( 8.950 -7.410 -2.678) 11.925 9.978 ( 8.950 7.410 -2.678) 11.925 10.136 ( -7.317 -5.720 -2.596) 9.643 10.136 ( -7.317 5.720 -2.596) 9.643 12.471 ( 17.243 -10.828 -6.461) 21.362 12.471 ( 17.243 10.828 -6.461) 21.362 12.776 ( -13.476 -6.892 -6.663) 16.538 12.776 ( -13.476 6.892 -6.663) 16.538 13.443 ( 3.581 -9.232 2.370) 10.182 13.443 ( 3.581 9.232 2.370) 10.182 13.532 ( -5.436 -9.198 3.693) 11.304 13.532 ( -5.436 9.198 3.693) 11.304 14.386 ( 2.346 -2.395 8.724) 9.346 14.386 ( 2.346 2.395 8.724) 9.346 14.433 ( -2.524 -1.335 10.088) 10.484 14.433 ( -2.524 1.335 10.088) 10.484 15.603 ( 2.558 -4.025 0.378) 4.784 15.603 ( 2.558 4.025 0.378) 4.784 15.671 ( -4.192 -4.934 -0.455) 6.491 15.671 ( -4.192 4.934 -0.455) 6.491 16.125 ( 2.324 -4.178 1.123) 4.911 16.125 ( 2.324 4.178 1.123) 4.911 16.170 ( -2.082 -5.058 1.051) 5.570 16.170 ( -2.082 5.058 1.051) 5.570 17.259 ( 2.507 -9.315 -0.487) 9.659 17.259 ( 2.507 9.315 -0.487) 9.659 17.327 ( -4.650 -8.327 -1.082) 9.598 17.327 ( -4.650 8.327 -1.082) 9.598 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 0.000 22.549) 22.549 1.426 ( 0.000 0.000 31.139) 31.139 2.255 ( 0.000 0.000 49.771) 49.771 2.571 ( 0.000 0.000 6.876) 6.876 2.606 ( 0.000 0.000 -8.551) 8.551 2.861 ( 0.000 0.000 3.576) 3.576 3.575 ( 0.000 0.000 3.067) 3.067 3.700 ( 0.000 0.000 -16.892) 16.892 3.716 ( 0.000 0.000 -6.871) 6.871 3.931 ( 0.000 0.000 -5.895) 5.895 4.023 ( 0.000 0.000 -15.256) 15.256 4.250 ( 0.000 0.000 1.304) 1.304 4.395 ( 0.000 0.000 8.907) 8.907 4.637 ( 0.000 0.000 -5.696) 5.696 4.766 ( 0.000 0.000 19.516) 19.516 4.831 ( 0.000 0.000 -4.760) 4.760 4.979 ( 0.000 0.000 14.158) 14.158 5.241 ( 0.000 0.000 6.453) 6.453 6.512 ( 0.000 0.000 -1.540) 1.540 6.625 ( 0.000 0.000 -7.807) 7.807 6.665 ( 0.000 0.000 -8.633) 8.633 6.950 ( 0.000 0.000 -13.402) 13.402 6.999 ( 0.000 0.000 -7.661) 7.661 7.176 ( 0.000 0.000 -6.079) 6.079 7.245 ( 0.000 0.000 -4.443) 4.443 7.276 ( 0.000 0.000 -2.209) 2.209 7.680 ( 0.000 0.000 4.556) 4.556 7.692 ( 0.000 0.000 -1.049) 1.049 7.765 ( 0.000 0.000 5.658) 5.658 7.851 ( 0.000 0.000 -3.508) 3.508 8.004 ( 0.000 0.000 3.157) 3.157 8.451 ( 0.000 0.000 -12.587) 12.587 8.690 ( 0.000 0.000 14.363) 14.363 9.568 ( 0.000 0.000 -4.571) 4.571 10.342 ( 0.000 0.000 2.247) 2.247 10.366 ( 0.000 0.000 -0.988) 0.988 11.351 ( 0.000 0.000 4.803) 4.803 11.753 ( 0.000 0.000 8.816) 8.816 12.388 ( 0.000 0.000 -1.470) 1.470 12.942 ( 0.000 0.000 4.682) 4.682 13.029 ( 0.000 0.000 16.078) 16.078 13.692 ( 0.000 0.000 -14.142) 14.142 13.728 ( 0.000 0.000 -2.439) 2.439 13.830 ( 0.000 0.000 -6.814) 6.814 14.576 ( 0.000 0.000 7.545) 7.545 14.580 ( 0.000 0.000 -1.168) 1.168 15.045 ( 0.000 0.000 -3.201) 3.201 15.056 ( 0.000 0.000 13.197) 13.197 15.414 ( 0.000 0.000 1.923) 1.923 15.547 ( 0.000 0.000 -2.529) 2.529 16.078 ( 0.000 0.000 -3.507) 3.507 16.085 ( 0.000 0.000 -0.261) 0.261 16.085 ( 0.000 0.000 -0.924) 0.924 16.089 ( 0.000 0.000 -3.272) 3.272 16.285 ( 0.000 0.000 -6.575) 6.575 16.669 ( 0.000 0.000 -6.659) 6.659 16.779 ( 0.000 0.000 0.189) 0.189 16.842 ( 0.000 0.000 -1.233) 1.233 17.602 ( 0.000 0.000 -0.519) 0.519 17.606 ( 0.000 0.000 0.260) 0.260 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 15.356 0.000 19.853) 25.099 1.103 ( -19.270 0.000 34.322) 39.362 2.571 ( -3.674 0.000 -8.854) 9.586 2.582 ( 1.180 0.000 6.911) 7.011 2.642 ( 24.586 0.000 40.406) 47.298 2.837 ( 3.024 0.000 4.413) 5.350 3.516 ( -6.055 0.000 -1.758) 6.305 3.709 ( 0.274 0.000 -16.715) 16.717 3.777 ( 4.265 0.000 -3.260) 5.368 3.912 ( -1.411 0.000 -7.049) 7.189 3.965 ( -5.804 0.000 -15.758) 16.793 4.205 ( -5.066 0.000 3.052) 5.914 4.263 ( -8.119 0.000 7.530) 11.073 4.404 ( -17.105 0.000 2.565) 17.297 4.669 ( -6.759 0.000 -3.612) 7.664 4.762 ( -3.810 0.000 7.586) 8.489 5.183 ( 8.527 0.000 7.624) 11.438 5.415 ( 16.789 0.000 15.543) 22.879 6.511 ( -1.202 0.000 -4.985) 5.128 6.576 ( -5.209 0.000 -8.907) 10.318 6.660 ( -0.533 0.000 -9.966) 9.981 6.863 ( -10.262 0.000 -11.440) 15.369 6.961 ( -3.638 0.000 -4.030) 5.430 7.144 ( -2.041 0.000 -4.505) 4.946 7.166 ( -6.712 0.000 -3.096) 7.391 7.204 ( -4.796 0.000 -4.741) 6.744 7.627 ( -7.030 0.000 -0.860) 7.082 7.714 ( -11.058 0.000 -1.904) 11.221 7.736 ( 5.757 0.000 6.068) 8.364 7.872 ( 8.156 0.000 3.739) 8.972 8.074 ( 7.584 0.000 2.794) 8.082 8.591 ( 9.251 0.000 -2.915) 9.700 8.720 ( 5.562 0.000 6.799) 8.785 9.655 ( 6.989 0.000 -6.120) 9.289 10.299 ( -3.589 0.000 1.454) 3.872 10.374 ( 0.131 0.000 0.845) 0.855 11.488 ( 13.491 0.000 1.332) 13.557 11.718 ( -2.880 0.000 6.520) 7.128 12.415 ( 2.615 0.000 -2.254) 3.453 13.021 ( -0.332 0.000 15.455) 15.459 13.043 ( 9.772 0.000 7.005) 12.023 13.442 ( -17.747 0.000 -15.790) 23.755 13.760 ( 2.944 0.000 -1.624) 3.362 13.986 ( 8.034 0.000 -3.829) 8.900 14.526 ( -1.373 0.000 2.909) 3.217 14.657 ( 2.179 0.000 -1.488) 2.639 14.976 ( -4.824 0.000 2.345) 5.364 15.080 ( 2.044 0.000 13.106) 13.264 15.417 ( 0.402 0.000 1.888) 1.931 15.541 ( -0.616 0.000 -2.212) 2.296 15.992 ( -5.240 0.000 -4.314) 6.787 16.062 ( -1.417 0.000 -0.088) 1.420 16.097 ( 0.288 0.000 -0.327) 0.436 16.122 ( -7.048 0.000 -3.280) 7.774 16.172 ( 0.573 0.000 -0.292) 0.643 16.773 ( 5.565 0.000 -9.937) 11.389 16.776 ( -0.315 0.000 0.082) 0.325 16.844 ( 0.141 0.000 -1.011) 1.021 17.599 ( -0.214 0.000 -0.402) 0.456 17.608 ( 0.178 0.000 0.181) 0.254 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 14.681 0.000 14.571) 20.684 1.439 ( 22.279 0.000 15.840) 27.336 2.444 ( -6.755 0.000 -3.490) 7.603 2.618 ( 2.410 0.000 6.594) 7.021 2.856 ( 6.422 0.000 -1.005) 6.500 3.119 ( 5.590 0.000 13.329) 14.454 3.418 ( 2.727 0.000 9.577) 9.957 3.672 ( -3.974 0.000 -11.798) 12.449 3.761 ( -6.960 0.000 -10.353) 12.475 3.866 ( -5.407 0.000 -10.649) 11.943 3.881 ( -0.865 0.000 -5.343) 5.413 4.137 ( -2.444 0.000 0.579) 2.512 4.173 ( -6.412 0.000 -1.089) 6.503 4.177 ( 3.273 0.000 2.598) 4.179 4.547 ( -5.190 0.000 -1.512) 5.405 4.605 ( -11.567 0.000 1.294) 11.639 5.315 ( 7.447 0.000 9.707) 12.234 5.797 ( 20.675 0.000 19.477) 28.404 6.377 ( -14.986 0.000 -12.698) 19.642 6.450 ( -6.047 0.000 -9.354) 11.139 6.535 ( -19.803 0.000 -18.776) 27.290 6.666 ( -1.260 0.000 -3.636) 3.849 6.918 ( -0.186 0.000 4.607) 4.610 7.012 ( -8.354 0.000 -4.492) 9.485 7.101 ( -3.221 0.000 -4.273) 5.351 7.152 ( -1.817 0.000 -3.397) 3.853 7.446 ( -9.998 0.000 1.841) 10.167 7.521 ( -8.258 0.000 -3.732) 9.063 7.867 ( 7.299 0.000 5.603) 9.202 8.020 ( 6.691 0.000 3.211) 7.421 8.257 ( 10.412 0.000 4.505) 11.345 8.685 ( 2.588 0.000 13.568) 13.813 8.946 ( 14.546 0.000 -7.650) 16.435 9.780 ( 5.288 0.000 -5.208) 7.423 10.221 ( -3.887 0.000 2.600) 4.677 10.369 ( -0.542 0.000 2.133) 2.201 11.680 ( -0.182 0.000 1.954) 1.962 11.812 ( 18.355 0.000 -5.968) 19.301 12.470 ( 2.543 0.000 -4.627) 5.280 13.042 ( 3.285 0.000 14.498) 14.866 13.065 ( -20.914 0.000 -17.837) 27.487 13.283 ( 14.110 0.000 11.461) 18.178 13.815 ( 1.933 0.000 0.420) 1.978 14.090 ( 2.665 0.000 1.637) 3.128 14.494 ( -3.625 0.000 0.171) 3.629 14.601 ( -5.822 0.000 -4.865) 7.587 14.958 ( 2.979 0.000 10.201) 10.627 15.129 ( 2.807 0.000 14.382) 14.653 15.431 ( 1.023 0.000 1.897) 2.155 15.526 ( -0.950 0.000 -1.316) 1.623 15.881 ( -5.695 0.000 -1.897) 6.003 15.990 ( -4.917 0.000 -2.778) 5.648 16.033 ( -1.538 0.000 0.851) 1.758 16.094 ( -0.664 0.000 0.605) 0.898 16.224 ( 3.040 0.000 0.131) 3.042 16.772 ( 0.032 0.000 -0.142) 0.146 16.807 ( -2.014 0.000 -8.498) 8.733 16.845 ( -0.175 0.000 -0.516) 0.545 17.595 ( -0.142 0.000 -0.249) 0.287 17.612 ( 0.133 0.000 0.101) 0.167 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 30.918 0.000 -3.698) 31.138 1.885 ( 23.231 0.000 12.688) 26.470 2.356 ( -1.919 0.000 -4.146) 4.568 2.653 ( 0.172 0.000 6.447) 6.449 2.931 ( -6.868 0.000 -6.390) 9.380 2.996 ( -4.063 0.000 -9.807) 10.615 3.396 ( -7.867 0.000 0.204) 7.869 3.598 ( -2.781 0.000 -8.594) 9.033 3.727 ( -7.310 0.000 -8.535) 11.238 3.781 ( 2.773 0.000 1.670) 3.237 3.813 ( -2.366 0.000 6.757) 7.159 4.052 ( -4.189 0.000 -1.089) 4.328 4.142 ( -0.298 0.000 2.747) 2.763 4.331 ( -10.535 0.000 -1.472) 10.638 4.457 ( 16.832 0.000 -5.916) 17.841 4.549 ( 9.268 0.000 -5.192) 10.623 5.521 ( 13.881 0.000 9.899) 17.049 5.984 ( -18.615 0.000 -3.156) 18.881 5.988 ( -24.251 0.000 -14.656) 28.336 6.268 ( 9.757 0.000 -0.188) 9.759 6.322 ( -7.569 0.000 -6.235) 9.806 6.668 ( 0.984 0.000 -4.027) 4.145 6.864 ( -6.484 0.000 -7.298) 9.762 6.905 ( -2.421 0.000 4.892) 5.458 6.998 ( -7.136 0.000 -6.277) 9.504 7.096 ( -4.535 0.000 1.313) 4.721 7.311 ( -2.877 0.000 3.053) 4.195 7.408 ( -3.555 0.000 -2.637) 4.427 8.002 ( 6.376 0.000 4.622) 7.875 8.118 ( 3.331 0.000 3.183) 4.607 8.450 ( 9.222 0.000 6.677) 11.385 8.715 ( 0.393 0.000 13.233) 13.238 9.222 ( 13.812 0.000 -5.887) 15.014 9.817 ( -2.640 0.000 -5.037) 5.687 10.188 ( 1.318 0.000 4.469) 4.659 10.353 ( -1.239 0.000 2.947) 3.197 11.736 ( 6.400 0.000 -3.009) 7.072 12.140 ( 14.680 0.000 -11.213) 18.473 12.496 ( -0.073 0.000 -7.689) 7.690 12.651 ( -21.626 0.000 -16.535) 27.223 13.165 ( 9.412 0.000 12.586) 15.716 13.561 ( 14.148 0.000 13.710) 19.701 13.799 ( -4.569 0.000 2.819) 5.369 14.090 ( -2.582 0.000 6.587) 7.075 14.382 ( -4.878 0.000 -1.529) 5.112 14.525 ( -3.390 0.000 -0.987) 3.531 15.038 ( 4.562 0.000 12.201) 13.026 15.173 ( 1.325 0.000 15.026) 15.085 15.453 ( 1.178 0.000 1.951) 2.280 15.507 ( -0.926 0.000 -0.052) 0.927 15.802 ( -2.153 0.000 0.125) 2.157 15.912 ( -3.592 0.000 -2.753) 4.526 16.010 ( -0.700 0.000 1.795) 1.926 16.071 ( -1.618 0.000 1.634) 2.299 16.295 ( 4.590 0.000 0.044) 4.590 16.715 ( -6.919 0.000 -5.333) 8.735 16.779 ( 0.694 0.000 -0.272) 0.745 16.836 ( -0.699 0.000 -0.083) 0.704 17.595 ( 0.135 0.000 -0.110) 0.174 17.612 ( -0.096 0.000 0.008) 0.096 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 25.306 0.000 -6.611) 26.156 2.300 ( 18.932 0.000 9.924) 21.376 2.349 ( -1.491 0.000 -4.564) 4.801 2.577 ( -9.072 0.000 7.587) 11.826 2.733 ( -7.121 0.000 -11.657) 13.660 2.818 ( -14.228 0.000 -16.296) 21.633 3.410 ( 8.513 0.000 1.132) 8.588 3.579 ( 0.678 0.000 -7.756) 7.786 3.611 ( -10.966 0.000 -0.134) 10.967 3.619 ( -3.669 0.000 -8.049) 8.846 3.933 ( 6.691 0.000 8.377) 10.722 4.008 ( 0.585 0.000 -1.095) 1.241 4.063 ( -6.525 0.000 7.083) 9.631 4.104 ( -9.380 0.000 -0.723) 9.407 4.914 ( 27.331 0.000 -12.376) 30.003 4.920 ( 25.879 0.000 -9.340) 27.513 5.455 ( -27.945 0.000 -12.453) 30.594 5.468 ( -29.265 0.000 -13.737) 32.329 5.844 ( 16.154 0.000 6.119) 17.274 6.133 ( -12.641 0.000 0.420) 12.648 6.517 ( 10.514 0.000 -1.834) 10.673 6.657 ( -4.218 0.000 -4.835) 6.416 6.825 ( 4.615 0.000 -0.159) 4.618 6.849 ( -1.709 0.000 -1.207) 2.092 6.875 ( -4.435 0.000 -4.776) 6.518 6.971 ( -8.141 0.000 5.259) 9.692 7.316 ( 2.057 0.000 1.993) 2.864 7.359 ( -2.179 0.000 -0.230) 2.191 8.103 ( 3.915 0.000 3.816) 5.467 8.146 ( -0.442 0.000 3.358) 3.387 8.602 ( 6.400 0.000 9.010) 11.052 8.692 ( -2.909 0.000 11.320) 11.688 9.475 ( 12.311 0.000 -4.296) 13.039 9.689 ( -9.576 0.000 -4.307) 10.500 10.251 ( 4.008 0.000 4.297) 5.876 10.317 ( -2.628 0.000 3.624) 4.476 11.931 ( 13.708 0.000 -8.133) 15.940 12.252 ( -19.211 0.000 -12.970) 23.179 12.360 ( 8.178 0.000 -12.334) 14.799 12.465 ( -3.227 0.000 -10.533) 11.016 13.387 ( 12.908 0.000 8.985) 15.727 13.633 ( -11.777 0.000 5.416) 12.962 13.811 ( 11.476 0.000 13.376) 17.625 13.993 ( -7.357 0.000 10.695) 12.981 14.364 ( 2.591 0.000 0.276) 2.606 14.444 ( -4.778 0.000 0.316) 4.789 15.120 ( 3.681 0.000 13.316) 13.816 15.171 ( -1.508 0.000 14.410) 14.489 15.474 ( 0.937 0.000 1.773) 2.005 15.490 ( -0.838 0.000 1.122) 1.401 15.798 ( 1.514 0.000 0.502) 1.595 15.846 ( -3.165 0.000 -0.958) 3.307 16.010 ( 0.796 0.000 2.332) 2.464 16.037 ( -1.780 0.000 2.269) 2.884 16.408 ( 7.169 0.000 -1.049) 7.245 16.562 ( -8.447 0.000 -2.782) 8.894 16.797 ( 1.111 0.000 -0.155) 1.121 16.819 ( -1.084 0.000 0.017) 1.085 17.600 ( 0.373 0.000 -0.055) 0.377 17.608 ( -0.345 0.000 -0.041) 0.347 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 30.665 15.380) 34.306 1.573 ( 0.000 12.862 27.716) 30.555 2.395 ( 0.000 15.328 41.344) 44.094 2.421 ( 0.000 -8.065 3.348) 8.732 2.793 ( 0.000 11.504 -1.041) 11.551 2.810 ( 0.000 -4.646 6.359) 7.875 3.512 ( 0.000 -4.700 1.351) 4.890 3.746 ( 0.000 3.594 -15.902) 16.303 3.760 ( 0.000 3.692 -7.387) 8.258 3.869 ( 0.000 -7.316 -7.817) 10.706 3.949 ( 0.000 -4.745 -7.497) 8.872 4.431 ( 0.000 -1.275 0.660) 1.436 4.506 ( 0.000 15.939 -9.571) 18.592 4.664 ( 0.000 -5.396 6.535) 8.475 4.669 ( 0.000 3.074 3.487) 4.649 4.820 ( 0.000 1.864 16.049) 16.156 4.960 ( 0.000 -1.920 14.566) 14.692 5.303 ( 0.000 8.964 3.448) 9.604 6.418 ( 0.000 -8.218 1.265) 8.315 6.557 ( 0.000 -4.217 -6.388) 7.655 6.678 ( 0.000 0.074 -7.567) 7.567 6.922 ( 0.000 -2.135 -13.651) 13.817 6.934 ( 0.000 -5.096 -10.842) 11.980 7.066 ( 0.000 -6.912 -6.170) 9.266 7.147 ( 0.000 -8.271 -3.268) 8.893 7.295 ( 0.000 -2.132 -5.033) 5.466 7.649 ( 0.000 -1.882 5.477) 5.791 7.707 ( 0.000 -2.794 -1.246) 3.059 7.876 ( 0.000 12.516 -1.709) 12.632 7.997 ( 0.000 9.021 1.077) 9.085 8.042 ( 0.000 5.299 4.103) 6.702 8.455 ( 0.000 0.027 -10.431) 10.431 8.789 ( 0.000 8.529 10.919) 13.856 9.528 ( 0.000 -3.746 -4.029) 5.501 10.330 ( 0.000 -2.418 -0.443) 2.458 10.365 ( 0.000 1.589 0.993) 1.874 11.440 ( 0.000 7.575 5.222) 9.201 11.751 ( 0.000 -0.083 8.729) 8.730 12.493 ( 0.000 9.876 -0.788) 9.908 12.968 ( 0.000 1.741 6.959) 7.174 13.074 ( 0.000 5.407 12.168) 13.315 13.582 ( 0.000 -8.892 -3.477) 9.547 13.710 ( 0.000 0.754 -14.225) 14.245 13.947 ( 0.000 5.848 -5.129) 7.779 14.520 ( 0.000 -4.629 8.736) 9.887 14.554 ( 0.000 -2.521 -1.485) 2.926 14.946 ( 0.000 -9.194 12.402) 15.438 14.980 ( 0.000 -5.644 -2.846) 6.321 15.441 ( 0.000 2.371 2.211) 3.242 15.578 ( 0.000 2.602 -3.063) 4.019 16.044 ( 0.000 -3.816 -1.999) 4.308 16.053 ( 0.000 -2.534 -3.958) 4.700 16.086 ( 0.000 0.026 -0.865) 0.865 16.102 ( 0.000 0.398 -0.865) 0.952 16.243 ( 0.000 -3.297 -4.775) 5.803 16.310 ( 0.000 -14.835 4.069) 15.383 16.837 ( 0.000 5.223 0.155) 5.225 17.224 ( 0.000 17.229 -13.564) 21.928 17.554 ( 0.000 -4.790 0.199) 4.794 17.616 ( 0.000 1.101 -2.008) 2.290 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -16.506 12.707 29.865) 36.412 1.528 ( 7.481 31.812 12.850) 35.115 2.409 ( -0.568 -9.188 0.859) 9.245 2.702 ( -5.220 2.759 3.610) 6.920 2.745 ( 21.609 10.377 32.920) 40.723 2.858 ( 5.880 4.352 4.673) 8.681 3.495 ( -2.792 -2.204 -1.207) 3.756 3.720 ( -1.928 -0.405 -9.511) 9.713 3.790 ( 0.704 1.824 -12.293) 12.448 3.824 ( -4.392 -6.267 -9.784) 12.421 3.912 ( -1.920 -3.242 -5.753) 6.877 4.334 ( -14.816 -3.543 0.557) 15.244 4.343 ( -6.919 3.369 4.178) 8.756 4.478 ( -5.487 18.808 -4.099) 20.016 4.597 ( -8.574 -3.963 1.415) 9.550 4.947 ( 4.749 13.322 6.207) 15.446 5.146 ( 10.240 -1.151 13.339) 16.855 5.395 ( 11.987 0.398 12.439) 17.280 6.423 ( -0.167 -7.853 -0.952) 7.912 6.506 ( -4.989 -4.340 -7.172) 9.755 6.664 ( -1.995 -0.420 -10.485) 10.681 6.836 ( -9.656 -2.954 -10.108) 14.288 6.892 ( -4.872 -5.188 -8.257) 10.901 7.011 ( -1.762 -7.730 -5.697) 9.763 7.119 ( -3.954 -4.799 -3.260) 7.021 7.246 ( -4.011 -0.605 -4.102) 5.769 7.560 ( -8.373 -4.553 0.682) 9.555 7.670 ( -4.835 -2.153 -0.665) 5.335 7.903 ( 1.116 11.948 1.978) 12.162 8.030 ( 4.357 10.787 1.428) 11.721 8.086 ( 7.381 2.286 4.043) 8.721 8.585 ( 8.867 -0.755 -2.237) 9.176 8.828 ( 5.678 9.321 5.302) 12.134 9.619 ( 7.736 -3.400 -5.325) 9.988 10.292 ( -3.432 -1.109 0.014) 3.607 10.370 ( 0.102 0.313 0.832) 0.895 11.561 ( 12.007 6.208 2.379) 13.725 11.725 ( -2.085 0.725 6.697) 7.051 12.517 ( 2.312 9.505 -1.566) 9.907 13.009 ( 1.603 0.254 11.670) 11.783 13.109 ( 6.029 5.201 8.859) 11.911 13.435 ( -14.486 -1.141 -13.599) 19.902 13.708 ( 2.371 -3.659 -4.025) 5.933 14.041 ( 6.031 3.205 -3.307) 7.588 14.488 ( -1.334 -3.357 4.454) 5.735 14.608 ( 2.007 -4.172 -0.777) 4.695 14.917 ( -4.043 -5.241 2.271) 6.998 14.972 ( 1.824 -8.864 11.901) 14.951 15.445 ( 0.420 2.394 2.217) 3.290 15.570 ( -0.778 2.482 -2.655) 3.717 15.964 ( -5.656 -3.069 -2.912) 7.063 16.040 ( -4.291 -5.048 -2.154) 6.967 16.071 ( -1.799 -0.216 -0.192) 1.822 16.104 ( -0.346 0.039 -0.259) 0.434 16.167 ( 1.084 -0.430 -0.368) 1.223 16.458 ( 7.339 -13.150 -1.433) 15.127 16.837 ( 0.031 5.286 0.113) 5.287 17.185 ( -3.777 15.166 -11.157) 19.203 17.555 ( 0.116 -4.807 0.173) 4.811 17.612 ( -0.486 0.817 -1.987) 2.203 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 10.432 11.574 13.576) 20.666 1.749 ( 14.142 22.789 11.224) 29.074 2.381 ( -1.787 -6.177 -3.048) 7.116 2.640 ( -0.376 1.732 6.041) 6.296 2.890 ( 4.091 3.619 0.104) 5.463 3.128 ( 4.685 0.168 12.034) 12.915 3.403 ( -5.362 -1.461 2.737) 6.195 3.646 ( -6.509 -4.660 -8.572) 11.729 3.736 ( 1.079 -2.470 -6.333) 6.883 3.779 ( -3.108 1.739 -5.640) 6.670 3.920 ( 0.156 -0.247 -10.486) 10.490 4.119 ( -7.607 -3.917 -3.248) 9.152 4.261 ( 1.048 4.843 3.670) 6.166 4.374 ( -3.865 18.668 -2.539) 19.232 4.455 ( -5.188 -2.586 -0.286) 5.804 4.917 ( -5.930 22.679 0.550) 23.448 5.320 ( 9.611 1.868 12.335) 15.748 5.737 ( 20.337 -5.413 18.881) 28.273 6.326 ( -13.479 -4.728 -9.544) 17.179 6.397 ( -5.325 -2.991 -7.384) 9.583 6.523 ( -15.850 -2.066 -18.590) 24.517 6.629 ( -5.260 -2.932 -4.530) 7.536 6.833 ( -0.226 -7.439 2.357) 7.807 7.009 ( -6.448 -1.498 -5.333) 8.501 7.014 ( 0.681 -5.991 -3.234) 6.842 7.151 ( -6.144 -0.731 -2.773) 6.781 7.374 ( -10.120 -6.114 0.839) 11.854 7.519 ( -8.730 -1.397 -2.742) 9.256 7.989 ( 6.214 9.880 3.926) 12.314 8.114 ( 4.933 7.346 3.701) 9.592 8.279 ( 10.586 2.763 4.006) 11.651 8.696 ( 3.204 0.268 10.840) 11.307 9.028 ( 13.346 7.751 -5.745) 16.468 9.770 ( 7.057 -1.400 -4.867) 8.686 10.212 ( -4.465 -0.864 0.787) 4.616 10.363 ( -0.787 -0.445 1.155) 1.467 11.704 ( 0.754 2.360 2.297) 3.379 11.857 ( 17.184 3.688 -3.976) 18.019 12.567 ( 2.213 8.809 -4.183) 9.999 13.027 ( 1.406 -0.684 12.271) 12.370 13.098 ( -18.512 2.724 -15.369) 24.214 13.302 ( 11.555 1.990 9.343) 14.993 13.767 ( 2.912 -4.091 0.511) 5.047 14.120 ( 1.765 1.136 0.771) 2.236 14.452 ( -3.534 -3.194 1.607) 5.027 14.575 ( -4.056 -2.238 -2.808) 5.417 14.896 ( 2.277 -5.433 9.297) 11.006 15.022 ( 3.015 -9.033 13.890) 16.841 15.458 ( 0.843 2.266 2.243) 3.298 15.552 ( -0.973 2.406 -1.588) 3.043 15.847 ( -5.609 -3.131 -0.602) 6.452 15.955 ( -3.817 -2.947 -3.361) 5.878 16.043 ( -1.249 0.875 0.920) 1.781 16.099 ( -0.495 0.451 0.566) 0.877 16.208 ( 2.500 -1.269 0.317) 2.822 16.552 ( 2.391 -11.855 -2.176) 12.288 16.840 ( 0.306 5.428 -0.028) 5.437 17.093 ( -5.394 11.857 -6.828) 14.707 17.557 ( 0.136 -4.754 0.044) 4.756 17.597 ( -0.990 -0.352 -1.447) 1.789 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 27.616 5.073 -2.499) 28.189 2.031 ( 13.891 9.926 8.559) 19.098 2.389 ( 3.698 2.873 -4.651) 6.600 2.651 ( 0.043 -0.451 4.500) 4.523 2.942 ( -1.695 0.247 -5.653) 5.907 3.016 ( -10.344 2.954 -7.237) 12.965 3.263 ( -6.590 -10.849 1.132) 12.744 3.523 ( -5.891 -8.326 -4.622) 11.198 3.685 ( -5.524 2.506 -5.659) 8.296 3.785 ( -2.428 0.186 -2.382) 3.406 3.852 ( -4.166 1.686 -0.964) 4.596 3.995 ( -7.104 -6.218 -1.107) 9.505 4.333 ( 2.858 17.274 -1.403) 17.565 4.445 ( 12.402 2.677 -8.049) 15.025 4.539 ( 16.188 8.310 1.057) 18.227 4.778 ( -6.386 23.761 -0.222) 24.605 5.553 ( 14.333 3.487 10.751) 18.253 5.929 ( -24.587 -2.805 -12.601) 27.770 6.017 ( -8.500 -0.171 0.441) 8.513 6.227 ( 2.048 -3.189 -4.121) 5.599 6.288 ( -6.220 -1.937 -5.169) 8.317 6.615 ( 1.609 -5.140 -3.515) 6.431 6.820 ( -2.231 -6.493 1.212) 6.972 6.895 ( -5.340 0.688 -5.147) 7.449 6.978 ( -7.742 -0.543 -3.919) 8.694 7.035 ( -2.613 -5.761 0.407) 6.339 7.227 ( -3.760 -8.148 3.242) 9.541 7.368 ( -6.720 -3.681 -2.478) 8.052 8.109 ( 5.881 8.903 3.919) 11.367 8.201 ( 3.495 7.008 3.621) 8.628 8.469 ( 8.881 1.784 6.120) 10.933 8.729 ( 0.254 0.732 12.363) 12.388 9.289 ( 13.297 6.305 -6.058) 15.914 9.847 ( -0.695 2.404 -5.515) 6.057 10.157 ( 0.202 -2.827 2.758) 3.954 10.339 ( -1.820 -1.397 1.602) 2.798 11.776 ( 7.011 3.856 -2.397) 8.353 12.171 ( 14.184 2.476 -9.635) 17.325 12.577 ( -2.292 7.326 -8.426) 11.398 12.719 ( -18.061 5.714 -14.845) 24.067 13.120 ( 7.403 -2.646 12.147) 14.469 13.502 ( 7.078 -4.600 10.208) 13.246 13.805 ( 1.553 -0.248 4.851) 5.100 14.106 ( -3.037 -0.692 4.175) 5.209 14.366 ( -3.220 -0.308 1.250) 3.468 14.511 ( -3.134 -0.797 0.619) 3.292 14.964 ( 4.063 -6.525 11.932) 14.193 15.073 ( 1.796 -8.655 14.755) 17.201 15.475 ( 0.903 1.901 2.095) 2.970 15.533 ( -1.006 2.397 -0.165) 2.604 15.770 ( -2.068 -2.762 0.512) 3.488 15.886 ( -3.436 -2.298 -2.755) 4.968 16.026 ( -0.387 1.455 1.896) 2.421 16.082 ( -1.254 0.973 1.471) 2.164 16.266 ( 3.737 -2.383 0.408) 4.451 16.552 ( -2.342 -9.598 -2.035) 10.087 16.850 ( 0.818 5.761 -0.227) 5.824 16.992 ( -4.768 9.524 -3.170) 11.112 17.559 ( 0.068 -4.505 -0.135) 4.507 17.579 ( -0.840 -2.057 -0.743) 2.343 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 23.355 0.588 -5.495) 24.000 2.238 ( 6.511 -0.632 1.923) 6.818 2.500 ( 3.990 6.328 -0.831) 7.527 2.620 ( -2.802 5.139 2.123) 6.227 2.752 ( -12.304 -2.796 -12.440) 17.719 2.818 ( -8.127 3.034 -9.966) 13.213 3.289 ( 6.359 -10.109 2.486) 12.199 3.412 ( -5.860 -11.897 0.100) 13.262 3.612 ( -1.152 2.253 -5.334) 5.904 3.662 ( -6.188 0.991 -4.274) 7.586 3.819 ( -0.208 -1.088 0.197) 1.125 3.863 ( -5.156 -4.215 0.677) 6.694 4.410 ( 5.778 22.787 -0.565) 23.515 4.546 ( -7.351 25.366 0.558) 26.415 4.862 ( 24.633 -1.507 -13.533) 28.146 5.026 ( 25.366 7.625 -5.571) 27.067 5.398 ( -27.339 -1.763 -14.719) 31.100 5.567 ( -27.398 5.967 -9.798) 29.703 5.866 ( 15.571 2.485 6.993) 17.249 6.130 ( -10.889 0.335 0.699) 10.917 6.464 ( 12.033 -4.893 0.808) 13.015 6.627 ( -3.228 -3.159 -2.890) 5.362 6.755 ( -2.569 -6.593 0.072) 7.076 6.795 ( -4.939 -1.882 -4.117) 6.700 6.881 ( 1.914 -0.658 -2.037) 2.872 6.974 ( -5.037 -1.736 4.592) 7.034 7.215 ( 1.507 -8.883 1.618) 9.154 7.266 ( -3.803 -8.127 -0.848) 9.013 8.202 ( 3.485 8.357 3.559) 9.729 8.236 ( 0.046 7.708 3.407) 8.427 8.615 ( 6.193 0.976 8.621) 10.659 8.704 ( -2.964 0.696 10.929) 11.345 9.533 ( 11.920 5.404 -5.092) 14.043 9.740 ( -9.075 4.581 -5.229) 11.432 10.215 ( 4.326 -3.496 2.765) 6.211 10.291 ( -3.248 -2.563 2.099) 4.640 11.975 ( 13.430 4.355 -7.282) 15.886 12.261 ( -12.876 2.360 -11.374) 17.341 12.457 ( 3.929 6.961 -12.510) 14.846 12.559 ( -4.316 7.774 -10.862) 14.037 13.300 ( 10.645 -6.031 10.037) 15.825 13.491 ( -7.521 -8.844 7.830) 14.003 13.889 ( 6.945 2.703 9.486) 12.063 14.019 ( -5.838 -0.098 7.646) 9.620 14.364 ( 2.577 0.962 2.865) 3.972 14.438 ( -4.364 0.112 2.388) 4.976 15.037 ( 3.255 -7.315 13.315) 15.537 15.081 ( -1.034 -8.000 14.396) 16.502 15.493 ( 0.972 1.761 1.707) 2.638 15.513 ( -1.082 2.084 1.018) 2.559 15.769 ( 1.675 -2.563 0.606) 3.122 15.820 ( -3.321 -2.316 -0.813) 4.130 16.030 ( 0.836 1.788 2.368) 3.083 16.054 ( -1.492 1.577 2.144) 3.051 16.357 ( 5.645 -4.140 -0.394) 7.012 16.471 ( -5.621 -6.723 -1.395) 8.874 16.873 ( 1.668 6.376 -0.450) 6.606 16.917 ( -2.973 7.613 -1.108) 8.248 17.561 ( 0.150 -4.088 -0.248) 4.098 17.567 ( -0.437 -3.435 -0.356) 3.481 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 11.639 23.022) 25.797 1.911 ( 0.000 16.912 20.976) 26.945 2.248 ( 0.000 -7.255 12.215) 14.207 2.627 ( 0.000 -9.876 9.806) 13.917 2.957 ( 0.000 29.039 14.328) 32.381 3.074 ( 0.000 14.091 -0.961) 14.123 3.432 ( 0.000 -1.674 -1.707) 2.391 3.638 ( 0.000 -9.653 -5.726) 11.223 3.794 ( 0.000 -8.899 -1.449) 9.017 3.809 ( 0.000 1.034 -15.363) 15.397 3.930 ( 0.000 8.832 -7.995) 11.914 4.310 ( 0.000 -8.457 -4.676) 9.663 4.389 ( 0.000 -7.817 -1.117) 7.896 4.602 ( 0.000 -10.348 11.873) 15.750 4.858 ( 0.000 2.648 16.501) 16.713 4.925 ( 0.000 -0.987 15.265) 15.297 5.091 ( 0.000 25.300 1.505) 25.345 5.680 ( 0.000 20.671 -1.403) 20.718 6.187 ( 0.000 -10.368 5.734) 11.848 6.494 ( 0.000 -1.637 -6.897) 7.088 6.635 ( 0.000 -3.842 -5.420) 6.643 6.853 ( 0.000 -1.369 -16.017) 16.076 6.875 ( 0.000 -6.570 -6.682) 9.370 6.892 ( 0.000 -6.124 -13.939) 15.225 7.005 ( 0.000 -4.492 -4.772) 6.553 7.125 ( 0.000 -11.428 -1.645) 11.546 7.609 ( 0.000 -1.569 3.593) 3.921 7.630 ( 0.000 -3.284 -2.470) 4.109 8.128 ( 0.000 9.925 -0.146) 9.926 8.184 ( 0.000 7.410 5.288) 9.103 8.206 ( 0.000 7.979 -1.425) 8.105 8.432 ( 0.000 -2.484 -5.887) 6.390 9.006 ( 0.000 10.914 5.167) 12.075 9.411 ( 0.000 -7.152 -2.346) 7.527 10.303 ( 0.000 0.335 -1.510) 1.547 10.380 ( 0.000 -0.616 -1.506) 1.627 11.617 ( 0.000 7.608 6.624) 10.087 11.750 ( 0.000 -0.174 8.700) 8.702 12.793 ( 0.000 17.328 0.760) 17.344 13.024 ( 0.000 4.027 6.356) 7.524 13.262 ( 0.000 10.677 9.212) 14.101 13.392 ( 0.000 -8.542 -3.230) 9.132 13.671 ( 0.000 -4.626 -13.871) 14.622 13.990 ( 0.000 -4.208 -2.754) 5.029 14.428 ( 0.000 -2.779 9.938) 10.319 14.472 ( 0.000 -4.378 -0.130) 4.380 14.753 ( 0.000 -6.357 8.194) 10.371 14.838 ( 0.000 -6.895 -3.011) 7.524 15.510 ( 0.000 4.116 1.754) 4.474 15.641 ( 0.000 2.467 -4.190) 4.862 15.896 ( 0.000 -7.720 2.890) 8.243 15.965 ( 0.000 -5.463 -3.669) 6.581 16.087 ( 0.000 0.109 -0.739) 0.747 16.102 ( 0.000 -0.435 0.085) 0.443 16.155 ( 0.000 -1.683 0.183) 1.693 16.180 ( 0.000 -2.150 -1.993) 2.931 16.990 ( 0.000 8.878 0.117) 8.879 17.397 ( 0.000 -7.524 -0.904) 7.578 17.501 ( 0.000 7.148 -12.785) 14.647 17.633 ( 0.000 0.129 -5.534) 5.535 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -13.501 16.217 23.300) 31.435 2.095 ( 8.004 19.261 13.512) 24.852 2.184 ( -4.249 -11.405 8.542) 14.869 2.640 ( 0.774 -7.083 9.634) 11.983 3.035 ( -0.965 12.513 0.263) 12.553 3.084 ( 5.641 14.270 10.161) 18.403 3.453 ( 0.982 -0.420 -2.102) 2.358 3.623 ( 0.999 -4.867 -5.506) 7.417 3.705 ( -7.520 -5.172 -4.529) 10.189 3.842 ( 1.631 -1.282 -10.405) 10.610 3.919 ( -1.081 6.896 -8.291) 10.838 4.200 ( -8.751 -6.264 -4.296) 11.587 4.375 ( -2.131 -1.761 3.336) 4.332 4.477 ( -7.122 -5.993 4.262) 10.237 4.842 ( -3.950 9.500 4.274) 11.141 5.105 ( 17.722 -5.036 19.175) 26.592 5.225 ( 10.367 17.199 10.096) 22.477 5.675 ( -0.980 23.200 -0.299) 23.223 6.182 ( -0.456 -12.946 4.505) 13.715 6.455 ( -3.609 -0.205 -6.686) 7.601 6.617 ( -1.150 -4.563 -5.657) 7.358 6.717 ( -12.537 -7.092 -12.393) 19.002 6.820 ( -8.120 -2.217 -14.081) 16.405 6.848 ( -0.485 -7.348 -6.545) 9.852 7.018 ( -0.563 -3.694 -4.470) 5.826 7.125 ( -1.180 -9.186 -2.663) 9.636 7.497 ( -9.122 -0.850 -0.752) 9.193 7.591 ( -5.512 -4.389 0.549) 7.067 8.140 ( 0.545 8.281 -0.290) 8.304 8.174 ( 2.115 5.178 4.138) 6.958 8.264 ( 6.129 10.216 1.453) 12.001 8.547 ( 8.005 -3.035 -0.070) 8.561 9.068 ( 6.753 12.164 1.907) 14.043 9.506 ( 8.648 -7.254 -3.361) 11.777 10.279 ( -2.506 0.647 -1.934) 3.231 10.370 ( -1.044 -1.053 -1.595) 2.178 11.702 ( 8.487 5.581 4.837) 11.251 11.750 ( 0.307 1.400 7.201) 7.343 12.799 ( 0.682 15.749 0.163) 15.765 13.064 ( 2.963 5.365 6.830) 9.177 13.213 ( -3.360 1.159 4.222) 5.519 13.434 ( 0.928 4.384 -2.382) 5.075 13.605 ( -3.354 -6.646 -10.174) 12.606 14.021 ( 1.942 -7.377 -2.195) 7.937 14.426 ( 0.144 -1.120 6.921) 7.013 14.501 ( 1.984 -5.200 2.527) 6.112 14.758 ( 0.037 -6.987 7.216) 10.045 14.808 ( -1.688 -6.004 1.858) 6.508 15.513 ( 0.291 3.965 1.838) 4.380 15.632 ( -0.752 2.573 -3.708) 4.575 15.850 ( -4.073 -5.800 2.244) 7.434 15.933 ( -2.725 -4.785 -3.777) 6.678 16.080 ( -0.552 0.708 -0.072) 0.901 16.106 ( 0.321 -0.018 -0.069) 0.329 16.159 ( 1.007 -0.223 -0.479) 1.137 16.249 ( 4.875 -6.601 -0.491) 8.221 16.992 ( 0.146 8.922 0.083) 8.924 17.391 ( -1.030 -4.699 -2.789) 5.560 17.453 ( -3.946 4.682 -8.571) 10.534 17.618 ( -1.730 -0.700 -5.308) 5.626 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 5.119 16.704 10.393) 20.328 2.104 ( -0.934 -3.455 3.699) 5.147 2.273 ( 9.018 8.447 7.071) 14.237 2.653 ( 0.457 -1.882 7.763) 8.001 2.998 ( -1.218 5.462 -1.503) 5.795 3.106 ( -3.902 -1.566 0.682) 4.260 3.365 ( -9.894 -1.673 -5.355) 11.374 3.514 ( -10.212 -6.708 -6.596) 13.885 3.763 ( 7.775 4.548 -1.513) 9.134 3.837 ( -2.274 2.172 -2.281) 3.885 3.917 ( 0.311 0.874 -12.020) 12.056 4.028 ( -8.913 -4.208 -5.293) 11.187 4.329 ( 0.767 1.779 3.311) 3.836 4.406 ( -0.484 -2.112 -1.739) 2.778 4.821 ( 3.598 20.828 5.025) 21.726 5.424 ( 8.995 16.474 7.729) 20.298 5.452 ( 13.440 4.130 15.150) 20.669 5.657 ( 3.871 11.091 7.716) 14.055 6.156 ( -4.355 -12.059 -1.080) 12.867 6.378 ( -5.447 1.267 -5.996) 8.199 6.427 ( -13.393 -6.565 -13.266) 19.961 6.574 ( -10.930 -2.279 -7.266) 13.321 6.648 ( -1.774 -7.769 -5.542) 9.706 6.863 ( 1.487 -9.276 -4.292) 10.328 6.960 ( -4.807 -2.199 -5.396) 7.554 7.060 ( -5.119 -8.263 -1.659) 9.861 7.284 ( -12.649 0.157 -0.932) 12.684 7.444 ( -8.946 -4.896 -0.509) 10.211 8.197 ( 5.060 7.892 2.040) 9.594 8.254 ( 5.582 4.611 5.189) 8.908 8.400 ( 7.161 8.077 3.110) 11.233 8.670 ( 4.417 -2.957 7.072) 8.847 9.252 ( 11.460 12.249 -3.772) 17.193 9.695 ( 10.043 -6.183 -3.748) 12.375 10.208 ( -4.716 1.285 -2.754) 5.610 10.340 ( -2.143 -2.209 -1.765) 3.548 11.782 ( 3.666 4.825 3.399) 6.948 11.923 ( 13.711 1.225 0.384) 13.771 12.814 ( 0.339 12.735 -2.799) 13.044 13.047 ( -7.572 2.259 -0.503) 7.917 13.158 ( -1.693 3.506 0.575) 3.935 13.401 ( -0.049 7.956 -0.836) 8.000 13.641 ( 4.979 -7.750 1.627) 9.354 14.029 ( -1.607 -11.025 -1.493) 11.241 14.424 ( -0.609 1.185 4.979) 5.155 14.525 ( 0.542 -2.018 4.842) 5.273 14.751 ( 0.567 -7.098 6.777) 9.831 14.819 ( 1.968 -8.157 11.110) 13.923 15.520 ( 0.411 3.532 2.023) 4.091 15.617 ( -0.716 2.946 -2.377) 3.853 15.764 ( -4.359 -3.575 1.361) 5.800 15.877 ( -2.971 -4.301 -3.633) 6.366 16.070 ( -0.380 1.663 1.053) 2.005 16.111 ( 0.158 0.488 0.525) 0.734 16.182 ( 1.305 -0.822 0.499) 1.621 16.330 ( 3.002 -8.622 -0.314) 9.135 16.997 ( 0.480 9.006 -0.049) 9.019 17.313 ( -6.228 8.020 -7.109) 12.396 17.417 ( -0.174 -7.498 -0.305) 7.506 17.569 ( -3.092 -2.605 -3.909) 5.624 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 19.976 10.529 -2.437) 22.712 2.143 ( 4.854 -1.840 -1.061) 5.298 2.465 ( 10.490 4.403 2.525) 11.653 2.642 ( -2.244 -0.203 2.972) 3.730 2.960 ( -8.300 0.116 -6.031) 10.261 3.017 ( 0.707 -5.159 -0.160) 5.209 3.122 ( -13.411 2.392 -5.581) 14.722 3.335 ( -8.485 -8.403 -5.514) 13.153 3.755 ( -4.667 3.236 -2.688) 6.283 3.793 ( -5.603 0.583 -4.215) 7.035 3.863 ( -3.933 -0.445 -1.353) 4.183 3.903 ( -4.910 -2.895 -3.225) 6.549 4.467 ( 13.909 1.807 -8.308) 16.302 4.507 ( 10.869 1.089 -9.978) 14.795 4.996 ( 13.149 28.385 9.545) 32.706 5.366 ( -9.782 27.051 -3.212) 28.944 5.690 ( 13.746 9.539 11.379) 20.235 5.862 ( -20.889 -4.098 -13.010) 24.948 5.945 ( 13.219 -6.471 13.855) 20.213 6.195 ( -13.986 1.571 -9.659) 17.069 6.265 ( -4.149 -1.643 -3.498) 5.670 6.447 ( 0.877 -9.312 -0.579) 9.371 6.640 ( -1.788 -8.967 -1.451) 9.258 6.856 ( -4.581 -6.816 -2.801) 8.676 6.892 ( -0.479 -5.283 -5.151) 7.394 6.971 ( -2.670 -11.550 0.330) 11.859 7.029 ( -12.496 3.256 -0.355) 12.918 7.261 ( -9.854 -5.932 -0.666) 11.521 8.308 ( 5.841 8.179 3.272) 10.570 8.365 ( 5.192 6.790 5.760) 10.307 8.525 ( 5.777 3.628 4.814) 8.349 8.718 ( 0.641 -2.218 9.717) 9.988 9.479 ( 11.660 10.852 -5.712) 16.922 9.868 ( 6.961 -2.622 -4.457) 8.671 10.107 ( -5.075 0.128 -2.531) 5.672 10.286 ( -3.535 -3.814 -1.846) 5.519 11.903 ( 8.985 7.935 -0.989) 12.028 12.198 ( 14.003 -1.411 -5.124) 14.978 12.761 ( -10.424 7.606 -10.899) 16.891 12.828 ( -8.484 3.701 -7.195) 11.723 13.174 ( 3.185 9.515 5.942) 11.662 13.425 ( 0.275 -0.738 6.265) 6.314 13.742 ( 5.097 -6.284 4.331) 9.177 13.967 ( -4.052 -12.197 0.447) 12.860 14.418 ( 0.517 4.684 6.145) 7.744 14.524 ( -0.821 2.547 7.194) 7.676 14.787 ( 2.687 -9.255 10.646) 14.360 14.858 ( 1.637 -10.080 13.488) 16.917 15.529 ( 0.530 3.036 1.920) 3.631 15.603 ( -0.935 3.731 -0.679) 3.906 15.699 ( -1.924 -3.313 1.130) 3.994 15.818 ( -3.177 -4.036 -2.373) 5.658 16.069 ( 0.343 2.504 2.035) 3.244 16.111 ( -0.110 1.722 1.081) 2.036 16.210 ( 1.782 -2.396 1.119) 3.189 16.356 ( -0.357 -8.361 -0.195) 8.371 17.012 ( 1.119 9.078 -0.318) 9.152 17.194 ( -5.710 9.160 -3.984) 11.505 17.420 ( 0.412 -8.191 -0.211) 8.204 17.509 ( -2.961 -4.720 -2.272) 6.018 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 18.868 4.442 -5.502) 20.149 2.263 ( 5.695 2.101 -2.019) 6.397 2.550 ( -4.918 -1.025 -4.871) 6.997 2.608 ( -3.892 -8.260 -8.292) 12.334 2.781 ( -0.996 7.601 -2.095) 7.947 2.910 ( -8.496 4.732 -4.269) 10.621 3.080 ( 4.383 -7.993 0.957) 9.166 3.186 ( -6.733 -8.889 -1.761) 11.289 3.676 ( -2.313 3.545 -2.250) 4.794 3.690 ( -3.629 2.215 -1.444) 4.490 3.806 ( -1.643 -1.300 -0.544) 2.164 3.817 ( -2.947 -1.717 -0.681) 3.478 4.773 ( 15.584 8.229 -13.957) 22.481 4.841 ( 23.500 0.336 -14.861) 27.807 5.066 ( -12.380 19.023 -8.090) 24.095 5.290 ( -9.444 8.442 -9.286) 15.706 5.444 ( -1.071 15.367 -1.308) 15.460 5.764 ( -20.211 15.010 -1.026) 25.196 5.966 ( 13.437 6.846 7.826) 16.991 6.170 ( -7.095 3.217 1.006) 7.855 6.320 ( 13.938 -8.502 5.232) 17.144 6.506 ( 1.215 -9.248 0.064) 9.328 6.561 ( -2.785 -11.653 2.329) 12.206 6.706 ( -10.749 -10.287 1.989) 15.011 6.865 ( 0.153 0.401 -3.607) 3.633 6.896 ( -1.897 -3.566 1.583) 4.338 6.984 ( 2.494 -9.936 -2.388) 10.519 7.082 ( -7.944 -7.604 -1.956) 11.170 8.402 ( 3.443 9.076 3.959) 10.484 8.428 ( 0.979 9.192 4.863) 10.445 8.626 ( 4.670 -0.482 7.352) 8.723 8.698 ( -2.603 -1.764 9.356) 9.870 9.694 ( 10.517 9.250 -5.938) 15.213 9.871 ( -6.895 7.278 -6.403) 11.896 10.101 ( 4.777 -7.037 -0.958) 8.559 10.203 ( -5.004 -5.709 -1.669) 7.773 12.122 ( 13.399 9.342 -5.482) 17.229 12.365 ( -5.416 6.351 -8.769) 12.106 12.554 ( 1.173 -0.020 -10.330) 10.396 12.700 ( -7.863 2.164 -10.654) 13.417 13.267 ( 5.961 6.152 8.387) 11.989 13.378 ( -4.801 1.234 8.286) 9.656 13.830 ( 3.907 -8.821 4.319) 10.570 13.896 ( -3.260 -11.494 3.048) 12.330 14.446 ( 2.213 6.518 8.194) 10.701 14.492 ( -2.280 5.451 8.574) 10.413 14.839 ( 2.406 -10.425 12.831) 16.706 14.870 ( -0.532 -10.751 13.825) 17.521 15.545 ( 1.272 3.061 1.466) 3.625 15.576 ( -1.741 3.708 0.664) 4.150 15.700 ( 1.822 -3.659 0.835) 4.172 15.754 ( -3.366 -3.801 -0.441) 5.096 16.083 ( 1.027 3.083 2.313) 3.989 16.103 ( -0.843 3.003 1.779) 3.591 16.258 ( 3.154 -4.760 0.788) 5.764 16.321 ( -2.943 -6.852 0.176) 7.459 17.043 ( 2.216 9.157 -0.794) 9.455 17.101 ( -3.876 9.247 -1.825) 10.192 17.433 ( 0.982 -7.675 -0.548) 7.757 17.461 ( -1.948 -6.504 -1.150) 6.886 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 0.000 -6.593 20.052) 21.108 2.024 ( 0.000 6.593 20.052) 21.108 2.341 ( 0.000 -15.307 16.288) 22.352 2.341 ( 0.000 15.307 16.288) 22.352 3.297 ( 0.000 -2.592 -4.670) 5.341 3.297 ( 0.000 2.592 -4.670) 5.341 3.496 ( 0.000 -7.462 -2.060) 7.741 3.496 ( 0.000 7.462 -2.060) 7.741 3.719 ( 0.000 -8.290 -5.827) 10.133 3.719 ( 0.000 8.290 -5.827) 10.133 4.132 ( 0.000 -8.265 -7.908) 11.439 4.132 ( 0.000 8.265 -7.908) 11.439 4.363 ( 0.000 -7.277 10.221) 12.547 4.363 ( 0.000 7.277 10.221) 12.547 4.901 ( 0.000 -1.517 15.842) 15.914 4.901 ( 0.000 1.517 15.842) 15.914 5.605 ( 0.000 -21.289 4.079) 21.676 5.605 ( 0.000 21.289 4.079) 21.676 6.393 ( 0.000 -16.968 -5.121) 17.724 6.393 ( 0.000 16.968 -5.121) 17.724 6.593 ( 0.000 -4.942 -3.157) 5.865 6.593 ( 0.000 4.942 -3.157) 5.865 6.862 ( 0.000 -1.240 -16.477) 16.524 6.862 ( 0.000 1.240 -16.477) 16.524 6.970 ( 0.000 -1.936 -4.233) 4.655 6.970 ( 0.000 1.936 -4.233) 4.655 7.593 ( 0.000 -0.256 1.070) 1.100 7.593 ( 0.000 0.256 1.070) 1.100 8.258 ( 0.000 -1.562 1.502) 2.167 8.258 ( 0.000 1.562 1.502) 2.167 8.346 ( 0.000 -5.519 -1.728) 5.783 8.346 ( 0.000 5.519 -1.728) 5.783 9.229 ( 0.000 -9.748 0.655) 9.770 9.229 ( 0.000 9.748 0.655) 9.770 10.340 ( 0.000 -2.573 -2.658) 3.700 10.340 ( 0.000 2.573 -2.658) 3.700 11.726 ( 0.000 -2.662 8.189) 8.610 11.726 ( 0.000 2.662 8.189) 8.610 13.095 ( 0.000 -3.026 5.935) 6.662 13.095 ( 0.000 3.026 5.935) 6.662 13.296 ( 0.000 -4.708 -4.452) 6.479 13.296 ( 0.000 4.708 -4.452) 6.479 13.750 ( 0.000 -14.217 -1.716) 14.320 13.750 ( 0.000 14.217 -1.716) 14.320 14.417 ( 0.000 -1.125 5.867) 5.974 14.417 ( 0.000 1.125 5.867) 5.974 14.722 ( 0.000 -2.972 -0.366) 2.995 14.722 ( 0.000 2.972 -0.366) 2.995 15.613 ( 0.000 -4.876 -0.763) 4.936 15.613 ( 0.000 4.876 -0.763) 4.936 15.853 ( 0.000 -3.753 -0.206) 3.759 15.853 ( 0.000 3.753 -0.206) 3.759 16.092 ( 0.000 -0.362 -0.394) 0.535 16.092 ( 0.000 0.362 -0.394) 0.535 16.152 ( 0.000 -0.697 -1.106) 1.307 16.152 ( 0.000 0.697 -1.106) 1.307 17.197 ( 0.000 -10.088 0.091) 10.088 17.197 ( 0.000 10.088 0.091) 10.088 17.608 ( 0.000 -2.787 -9.819) 10.207 17.608 ( 0.000 2.787 -9.819) 10.207 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -8.167 -14.364 16.715) 23.504 1.901 ( -8.167 14.364 16.715) 23.504 2.428 ( 5.952 -12.523 13.809) 19.569 2.428 ( 5.952 12.523 13.809) 19.569 3.213 ( -6.753 -2.187 -4.873) 8.610 3.213 ( -6.753 2.187 -4.873) 8.610 3.497 ( -2.482 -7.032 -2.265) 7.794 3.497 ( -2.482 7.032 -2.265) 7.794 3.768 ( 5.052 -8.085 -7.947) 12.412 3.768 ( 5.052 8.085 -7.947) 12.412 4.072 ( -5.674 -6.524 -5.683) 10.347 4.072 ( -5.674 6.524 -5.683) 10.347 4.361 ( -0.312 -2.935 6.828) 7.438 4.361 ( -0.312 2.935 6.828) 7.438 4.976 ( 8.225 -5.733 16.132) 18.994 4.976 ( 8.225 5.733 16.132) 18.994 5.668 ( 5.810 -20.341 5.583) 21.879 5.668 ( 5.810 20.341 5.583) 21.879 6.355 ( -5.310 -21.521 -4.151) 22.552 6.355 ( -5.310 21.521 -4.151) 22.552 6.522 ( -4.465 -2.823 -5.067) 7.320 6.522 ( -4.465 2.823 -5.067) 7.320 6.783 ( -7.008 -0.758 -13.571) 15.292 6.783 ( -7.008 0.758 -13.571) 15.292 6.994 ( 0.253 -2.024 -5.240) 5.623 6.994 ( 0.253 2.024 -5.240) 5.623 7.516 ( -7.293 -2.407 0.559) 7.700 7.516 ( -7.293 2.407 0.559) 7.700 8.233 ( 0.397 -0.728 1.306) 1.547 8.233 ( 0.397 0.728 1.306) 1.547 8.446 ( 7.002 -6.644 1.643) 9.791 8.446 ( 7.002 6.644 1.643) 9.791 9.315 ( 8.193 -10.589 -1.015) 13.427 9.315 ( 8.193 10.589 -1.015) 13.427 10.322 ( -1.851 -2.885 -3.049) 4.587 10.322 ( -1.851 2.885 -3.049) 4.587 11.766 ( 4.121 -0.549 6.923) 8.075 11.766 ( 4.121 0.549 6.923) 8.075 13.080 ( -1.646 -8.549 3.377) 9.338 13.080 ( -1.646 8.549 3.377) 9.338 13.314 ( 1.655 -13.723 -3.098) 14.165 13.314 ( 1.655 13.723 -3.098) 14.165 13.740 ( -0.928 -16.078 -1.758) 16.200 13.740 ( -0.928 16.078 -1.758) 16.200 14.432 ( 1.449 -1.214 6.694) 6.956 14.432 ( 1.449 1.214 6.694) 6.956 14.712 ( -0.849 -2.247 1.773) 2.985 14.712 ( -0.849 2.247 1.773) 2.985 15.609 ( -0.308 -4.466 -0.388) 4.494 15.609 ( -0.308 4.466 -0.388) 4.494 15.831 ( -2.197 -3.888 -0.976) 4.572 15.831 ( -2.197 3.888 -0.976) 4.572 16.098 ( 0.458 -0.787 0.029) 0.911 16.098 ( 0.458 0.787 0.029) 0.911 16.167 ( 1.530 -1.519 -0.507) 2.215 16.167 ( 1.530 1.519 -0.507) 2.215 17.199 ( 0.181 -10.081 0.047) 10.083 17.199 ( 0.181 10.081 0.047) 10.083 17.571 ( -3.648 -3.853 -8.670) 10.164 17.571 ( -3.648 3.853 -8.670) 10.164 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.130 -16.027 6.428) 17.399 1.829 ( 2.130 16.027 6.428) 17.399 2.526 ( 4.129 -9.793 10.354) 14.838 2.526 ( 4.129 9.793 10.354) 14.838 3.078 ( -6.782 -1.940 -5.570) 8.988 3.078 ( -6.782 1.940 -5.570) 8.988 3.385 ( -8.484 -4.445 -4.712) 10.674 3.385 ( -8.484 4.445 -4.712) 10.674 3.852 ( 1.430 -2.198 -8.857) 9.237 3.852 ( 1.430 2.198 -8.857) 9.237 3.951 ( -5.745 -2.667 -3.118) 7.060 3.951 ( -5.745 2.667 -3.118) 7.060 4.362 ( 1.887 -1.805 0.399) 2.642 4.362 ( 1.887 1.805 0.399) 2.642 5.222 ( 16.588 -16.381 16.108) 28.337 5.222 ( 16.588 16.381 16.108) 28.337 5.795 ( 6.720 -17.867 6.888) 20.293 5.795 ( 6.720 17.867 6.888) 20.293 6.163 ( -13.498 -19.474 -6.879) 24.673 6.163 ( -13.498 19.474 -6.879) 24.673 6.475 ( -2.160 -6.127 -3.209) 7.246 6.475 ( -2.160 6.127 -3.209) 7.246 6.633 ( -7.044 -6.916 -10.478) 14.396 6.633 ( -7.044 6.916 -10.478) 14.396 6.948 ( -4.449 -1.676 -4.668) 6.663 6.948 ( -4.449 1.676 -4.668) 6.663 7.342 ( -10.309 -4.254 0.088) 11.152 7.342 ( -10.309 4.254 0.088) 11.152 8.294 ( 5.432 -1.176 3.200) 6.413 8.294 ( 5.432 1.176 3.200) 6.413 8.567 ( 5.074 -6.698 4.971) 9.763 8.567 ( 5.074 6.698 4.971) 9.763 9.507 ( 10.946 -10.973 -3.380) 15.863 9.507 ( 10.946 10.973 -3.380) 15.863 10.270 ( -3.629 -3.857 -3.916) 6.586 10.270 ( -3.629 3.857 -3.916) 6.586 11.887 ( 8.447 -4.169 3.483) 10.043 11.887 ( 8.447 4.169 3.483) 10.043 13.017 ( -5.509 -5.625 -3.002) 8.426 13.017 ( -5.509 5.625 -3.002) 8.426 13.354 ( 2.602 -12.950 0.125) 13.210 13.354 ( 2.602 12.950 0.125) 13.210 13.718 ( -1.444 -15.411 -0.462) 15.485 13.718 ( -1.444 15.411 -0.462) 15.485 14.472 ( 2.783 -3.050 8.931) 9.839 14.472 ( 2.783 3.050 8.931) 9.839 14.698 ( -0.500 -2.802 5.959) 6.604 14.698 ( -0.500 2.802 5.959) 6.604 15.603 ( -0.326 -3.787 0.588) 3.846 15.603 ( -0.326 3.787 0.588) 3.846 15.778 ( -2.975 -4.349 -1.808) 5.571 15.778 ( -2.975 4.349 -1.808) 5.571 16.106 ( 0.463 -1.234 0.956) 1.628 16.106 ( 0.463 1.234 0.956) 1.628 16.200 ( 1.532 -3.287 0.300) 3.639 16.200 ( 1.532 3.287 0.300) 3.639 17.205 ( 0.452 -9.997 -0.104) 10.008 17.205 ( 0.452 9.997 -0.104) 10.008 17.481 ( -5.360 -5.701 -6.064) 9.900 17.481 ( -5.360 5.701 -6.064) 9.900 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 12.433 -11.119 -3.417) 17.026 1.980 ( 12.433 11.119 -3.417) 17.026 2.581 ( 0.780 -5.597 5.767) 8.074 2.581 ( 0.780 5.597 5.767) 8.074 2.963 ( -4.779 -2.436 -5.362) 7.584 2.963 ( -4.779 2.436 -5.362) 7.584 3.198 ( -10.062 -4.485 -5.798) 12.449 3.198 ( -10.062 4.485 -5.798) 12.449 3.801 ( -4.372 -0.480 -2.254) 4.942 3.801 ( -4.372 0.480 -2.254) 4.942 3.859 ( -4.956 -0.985 -3.264) 6.016 3.859 ( -4.956 0.985 -3.264) 6.016 4.501 ( 13.055 -1.254 -9.280) 16.067 4.501 ( 13.055 1.254 -9.280) 16.067 5.533 ( 9.552 -17.839 6.318) 21.199 5.533 ( 9.552 17.839 6.318) 21.199 5.819 ( -7.925 -5.248 -2.369) 9.796 5.819 ( -7.925 5.248 -2.369) 9.796 5.995 ( 5.256 -17.288 3.487) 18.403 5.995 ( 5.256 17.288 3.487) 18.403 6.369 ( -8.357 -5.554 0.591) 10.052 6.369 ( -8.357 5.554 0.591) 10.052 6.551 ( -3.264 -8.001 -5.132) 10.050 6.551 ( -3.264 8.001 -5.132) 10.050 6.864 ( -3.057 -0.973 -4.352) 5.406 6.864 ( -3.057 0.973 -4.352) 5.406 7.134 ( -10.795 -5.731 -0.051) 12.222 7.134 ( -10.795 5.731 -0.051) 12.222 8.419 ( 7.029 -1.844 4.806) 8.713 8.419 ( 7.029 1.844 4.806) 8.713 8.632 ( 1.514 -5.531 6.600) 8.744 8.632 ( 1.514 5.531 6.600) 8.744 9.714 ( 10.263 -10.319 -4.455) 15.220 9.714 ( 10.263 10.319 -4.455) 15.220 10.182 ( -5.515 -5.354 -4.676) 8.997 10.182 ( -5.515 5.354 -4.676) 8.997 12.087 ( 12.082 -8.220 -1.032) 14.649 12.087 ( 12.082 8.220 -1.032) 14.649 12.857 ( -10.938 -2.183 -8.138) 13.807 12.857 ( -10.938 2.183 -8.138) 13.807 13.421 ( 4.405 -8.622 3.202) 10.198 13.421 ( 4.405 8.622 3.202) 10.198 13.679 ( -2.704 -9.594 2.011) 10.169 13.679 ( -2.704 9.594 2.011) 10.169 14.538 ( 3.885 -5.267 11.128) 12.910 14.538 ( 3.885 5.267 11.128) 12.910 14.689 ( -0.706 -4.349 9.331) 10.319 14.689 ( -0.706 4.349 9.331) 10.319 15.600 ( 0.207 -3.416 1.306) 3.663 15.600 ( 0.207 3.416 1.306) 3.663 15.722 ( -2.905 -4.652 -1.276) 5.631 15.722 ( -2.905 4.652 -1.276) 5.631 16.121 ( 1.255 -1.810 1.633) 2.742 16.121 ( 1.255 1.810 1.633) 2.742 16.216 ( -0.104 -4.181 0.842) 4.266 16.216 ( -0.104 4.181 0.842) 4.266 17.218 ( 0.977 -9.716 -0.380) 9.772 17.218 ( 0.977 9.716 -0.380) 9.772 17.379 ( -4.952 -7.264 -3.478) 9.455 17.379 ( -4.952 7.264 -3.478) 9.455 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 14.840 -4.458 -6.678) 16.873 2.255 ( 14.840 4.458 -6.678) 16.873 2.504 ( -9.477 -0.728 -3.115) 10.002 2.504 ( -9.477 0.728 -3.115) 10.002 2.932 ( 2.212 -6.710 -2.360) 7.449 2.932 ( 2.212 6.710 -2.360) 7.449 3.028 ( -7.182 -6.306 -3.415) 10.149 3.028 ( -7.182 6.306 -3.415) 10.149 3.743 ( -1.037 -1.364 -0.020) 1.713 3.743 ( -1.037 1.364 -0.020) 1.713 3.769 ( -3.571 -1.467 -1.217) 4.048 3.769 ( -3.571 1.467 -1.217) 4.048 4.844 ( 21.597 -0.621 -15.651) 26.678 4.844 ( 21.597 0.621 -15.651) 26.678 5.289 ( -23.097 -3.949 -16.087) 28.423 5.289 ( -23.097 3.949 -16.087) 28.423 5.959 ( 12.861 -21.276 6.408) 25.674 5.959 ( 12.861 21.276 6.408) 25.674 6.168 ( -1.582 -4.980 4.204) 6.706 6.168 ( -1.582 4.980 4.204) 6.706 6.208 ( 3.939 -11.576 6.894) 14.038 6.208 ( 3.939 11.576 6.894) 14.038 6.429 ( -9.937 -4.295 2.822) 11.188 6.429 ( -9.937 4.295 2.822) 11.188 6.858 ( 2.388 -1.295 -4.248) 5.043 6.858 ( 2.388 1.295 -4.248) 5.043 6.952 ( -7.415 -4.560 -2.093) 8.953 6.952 ( -7.415 4.560 -2.093) 8.953 8.545 ( 5.589 -2.742 5.967) 8.624 8.545 ( 5.589 2.742 5.967) 8.624 8.623 ( -2.378 -4.030 6.706) 8.177 8.623 ( -2.378 4.030 6.706) 8.177 9.899 ( 8.943 -8.983 -4.849) 13.572 9.899 ( 8.943 8.983 -4.849) 13.572 10.057 ( -7.392 -7.184 -4.972) 11.445 10.057 ( -7.392 7.184 -4.972) 11.445 12.341 ( 14.021 -9.554 -5.344) 17.788 12.341 ( 14.021 9.554 -5.344) 17.788 12.613 ( -13.853 -7.581 -8.317) 17.848 12.613 ( -13.853 7.581 -8.317) 17.848 13.516 ( 5.189 -7.297 4.258) 9.915 13.516 ( 5.189 7.297 4.258) 9.915 13.611 ( -4.387 -6.431 3.756) 8.644 13.611 ( -4.387 6.431 3.756) 8.644 14.611 ( 3.446 -6.046 11.968) 13.844 14.611 ( 3.446 6.046 11.968) 13.844 14.664 ( -1.980 -5.625 11.340) 12.812 14.664 ( -1.980 5.625 11.340) 12.812 15.618 ( 1.805 -3.602 1.118) 4.181 15.618 ( 1.805 3.602 1.118) 4.181 15.665 ( -2.867 -4.236 0.127) 5.117 15.665 ( -2.867 4.236 0.127) 5.117 16.155 ( 2.176 -2.808 1.684) 3.932 16.155 ( 2.176 2.808 1.684) 3.932 16.196 ( -1.794 -3.851 1.330) 4.452 16.196 ( -1.794 3.851 1.330) 4.452 17.245 ( 1.969 -9.177 -0.840) 9.423 17.245 ( 1.969 9.177 -0.840) 9.423 17.297 ( -3.456 -8.384 -1.741) 9.234 17.297 ( -3.456 8.384 -1.741) 9.234 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 0.000 23.292) 23.292 1.998 ( 0.000 0.000 23.923) 23.923 2.513 ( 0.000 0.000 1.321) 1.321 2.615 ( 0.000 0.000 -5.479) 5.479 2.809 ( 0.000 0.000 -2.857) 2.857 3.180 ( 0.000 0.000 26.927) 26.927 3.398 ( 0.000 0.000 -8.435) 8.435 3.586 ( 0.000 0.000 -8.250) 8.250 3.632 ( 0.000 0.000 2.205) 2.205 3.760 ( 0.000 0.000 -1.229) 1.229 3.781 ( 0.000 0.000 -8.697) 8.697 4.309 ( 0.000 0.000 4.824) 4.824 4.474 ( 0.000 0.000 -9.271) 9.271 4.593 ( 0.000 0.000 6.582) 6.582 4.790 ( 0.000 0.000 2.903) 2.903 5.212 ( 0.000 0.000 23.052) 23.052 5.342 ( 0.000 0.000 20.096) 20.096 5.384 ( 0.000 0.000 9.839) 9.839 6.257 ( 0.000 0.000 -22.476) 22.476 6.455 ( 0.000 0.000 -9.992) 9.992 6.466 ( 0.000 0.000 -11.494) 11.494 6.623 ( 0.000 0.000 -18.296) 18.296 6.957 ( 0.000 0.000 2.313) 2.313 7.057 ( 0.000 0.000 -4.546) 4.546 7.167 ( 0.000 0.000 -3.044) 3.044 7.193 ( 0.000 0.000 -4.479) 4.479 7.658 ( 0.000 0.000 -2.152) 2.152 7.747 ( 0.000 0.000 -5.311) 5.311 7.789 ( 0.000 0.000 5.219) 5.219 7.858 ( 0.000 0.000 3.351) 3.351 8.059 ( 0.000 0.000 1.578) 1.578 8.223 ( 0.000 0.000 -8.661) 8.661 8.987 ( 0.000 0.000 13.638) 13.638 9.477 ( 0.000 0.000 -4.420) 4.420 10.359 ( 0.000 0.000 0.274) 0.274 10.378 ( 0.000 0.000 1.141) 1.141 11.492 ( 0.000 0.000 9.126) 9.126 12.005 ( 0.000 0.000 15.750) 15.750 12.261 ( 0.000 0.000 -10.302) 10.302 13.048 ( 0.000 0.000 4.240) 4.240 13.351 ( 0.000 0.000 -17.361) 17.361 13.381 ( 0.000 0.000 17.508) 17.508 13.664 ( 0.000 0.000 -9.164) 9.164 13.774 ( 0.000 0.000 5.452) 5.452 14.514 ( 0.000 0.000 -4.638) 4.638 14.631 ( 0.000 0.000 -3.352) 3.352 15.064 ( 0.000 0.000 5.855) 5.855 15.274 ( 0.000 0.000 6.889) 6.889 15.450 ( 0.000 0.000 1.503) 1.503 15.506 ( 0.000 0.000 -1.443) 1.443 16.021 ( 0.000 0.000 -2.972) 2.972 16.024 ( 0.000 0.000 -1.516) 1.516 16.069 ( 0.000 0.000 -0.592) 0.592 16.076 ( 0.000 0.000 -0.540) 0.540 16.167 ( 0.000 0.000 -3.866) 3.866 16.512 ( 0.000 0.000 -8.411) 8.411 16.783 ( 0.000 0.000 0.193) 0.193 16.818 ( 0.000 0.000 -1.075) 1.075 17.595 ( 0.000 0.000 -0.094) 0.094 17.609 ( 0.000 0.000 -0.022) 0.022 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 11.903 0.000 21.856) 24.887 1.760 ( -19.295 0.000 28.846) 34.704 2.428 ( -4.733 0.000 -3.616) 5.957 2.646 ( 3.002 0.000 -3.570) 4.665 2.867 ( 0.484 0.000 -0.390) 0.622 3.352 ( 10.006 0.000 18.573) 21.097 3.402 ( 0.403 0.000 -9.360) 9.369 3.462 ( -5.213 0.000 -9.818) 11.116 3.649 ( -2.779 0.000 -3.394) 4.387 3.753 ( -2.914 0.000 -8.662) 9.139 3.795 ( 5.665 0.000 6.990) 8.997 4.264 ( -4.227 0.000 4.313) 6.038 4.399 ( -8.608 0.000 -3.762) 9.394 4.516 ( -7.651 0.000 11.246) 13.602 4.650 ( -9.164 0.000 4.860) 10.373 4.885 ( -17.595 0.000 7.845) 19.265 5.417 ( 5.283 0.000 14.795) 15.710 5.758 ( 22.165 0.000 16.682) 27.741 6.216 ( -5.273 0.000 -23.097) 23.691 6.338 ( -10.188 0.000 -19.840) 22.303 6.377 ( -6.858 0.000 -10.322) 12.393 6.685 ( 2.114 0.000 -7.060) 7.370 6.969 ( 1.272 0.000 2.941) 3.205 7.054 ( -0.252 0.000 -3.397) 3.406 7.084 ( -6.196 0.000 -3.947) 7.346 7.108 ( -7.289 0.000 -4.725) 8.687 7.591 ( -5.993 0.000 -2.488) 6.489 7.640 ( -9.565 0.000 -3.949) 10.348 7.852 ( 5.631 0.000 5.053) 7.566 7.938 ( 6.824 0.000 2.430) 7.243 8.134 ( 9.004 0.000 2.858) 9.447 8.418 ( 15.789 0.000 -8.283) 17.830 8.994 ( 0.856 0.000 13.981) 14.007 9.543 ( 6.009 0.000 -5.296) 8.010 10.325 ( -2.656 0.000 1.318) 2.965 10.391 ( 0.608 0.000 0.477) 0.773 11.570 ( 7.672 0.000 6.744) 10.215 11.914 ( -7.693 0.000 12.713) 14.859 12.276 ( 1.295 0.000 -10.616) 10.695 13.042 ( -14.209 0.000 -17.260) 22.357 13.249 ( 8.813 0.000 7.264) 11.421 13.361 ( -1.335 0.000 16.956) 17.008 13.823 ( 4.279 0.000 5.718) 7.141 13.862 ( 13.004 0.000 -8.017) 15.277 14.490 ( -2.696 0.000 -5.315) 5.960 14.600 ( -3.058 0.000 -3.942) 4.989 15.097 ( 3.409 0.000 8.465) 9.125 15.302 ( 2.832 0.000 7.250) 7.784 15.453 ( 0.381 0.000 1.501) 1.549 15.505 ( -0.065 0.000 -1.240) 1.242 15.919 ( -5.280 0.000 -2.182) 5.713 16.034 ( -4.699 0.000 -4.616) 6.587 16.061 ( -0.557 0.000 -0.024) 0.557 16.086 ( 0.726 0.000 -0.678) 0.993 16.171 ( 3.010 0.000 0.855) 3.129 16.574 ( 4.320 0.000 -9.568) 10.498 16.780 ( -0.296 0.000 0.336) 0.448 16.823 ( 0.443 0.000 -1.013) 1.105 17.594 ( -0.073 0.000 -0.032) 0.080 17.610 ( 0.093 0.000 -0.063) 0.113 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -6.468 0.000 24.588) 25.425 1.798 ( 18.622 0.000 18.790) 26.455 2.333 ( -5.068 0.000 -5.160) 7.233 2.718 ( 4.065 0.000 0.749) 4.133 2.866 ( -0.282 0.000 -0.196) 0.343 3.135 ( -17.682 0.000 -5.216) 18.435 3.407 ( -0.126 0.000 -10.645) 10.646 3.458 ( -7.429 0.000 -10.301) 12.700 3.672 ( -5.472 0.000 -8.806) 10.368 3.740 ( 7.835 0.000 -0.945) 7.892 3.974 ( 13.436 0.000 20.355) 24.389 4.165 ( -5.841 0.000 2.845) 6.497 4.190 ( -9.666 0.000 2.881) 10.086 4.362 ( -5.528 0.000 12.817) 13.958 4.520 ( -5.597 0.000 1.059) 5.697 4.591 ( -13.661 0.000 -0.666) 13.677 5.529 ( 7.297 0.000 11.346) 13.490 6.003 ( -16.548 0.000 -23.049) 28.374 6.006 ( -10.147 0.000 -22.968) 25.110 6.218 ( 9.407 0.000 13.422) 16.390 6.262 ( -4.599 0.000 -9.202) 10.287 6.654 ( -2.642 0.000 0.820) 2.766 6.905 ( -11.044 0.000 -5.316) 12.257 6.981 ( -1.790 0.000 -0.310) 1.817 7.037 ( -1.897 0.000 -0.445) 1.948 7.068 ( 2.013 0.000 -5.309) 5.678 7.437 ( -8.748 0.000 -2.438) 9.081 7.481 ( -5.382 0.000 0.259) 5.388 7.974 ( 6.532 0.000 4.620) 8.001 8.072 ( 6.426 0.000 1.706) 6.648 8.357 ( 12.832 0.000 5.171) 13.834 8.747 ( 17.229 0.000 -6.967) 18.584 9.017 ( 1.371 0.000 13.627) 13.696 9.661 ( 4.910 0.000 -6.676) 8.287 10.275 ( -1.939 0.000 2.762) 3.375 10.399 ( 0.248 0.000 0.478) 0.538 11.761 ( 11.252 0.000 1.172) 11.313 11.774 ( -5.664 0.000 7.501) 9.399 12.298 ( 0.673 0.000 -11.095) 11.115 12.683 ( -19.714 0.000 -18.930) 27.331 13.363 ( 2.209 0.000 16.206) 16.355 13.532 ( 16.544 0.000 12.323) 20.629 13.909 ( 4.040 0.000 6.243) 7.436 14.073 ( 8.352 0.000 -3.256) 8.964 14.396 ( -6.800 0.000 -6.854) 9.654 14.541 ( -2.669 0.000 -2.587) 3.717 15.187 ( 5.438 0.000 10.968) 12.242 15.372 ( 4.000 0.000 8.299) 9.212 15.467 ( 1.121 0.000 1.516) 1.885 15.505 ( 0.099 0.000 -0.640) 0.647 15.833 ( -3.368 0.000 -1.606) 3.731 15.934 ( -4.438 0.000 -2.841) 5.269 16.051 ( -0.431 0.000 0.882) 0.982 16.099 ( 0.447 0.000 -0.176) 0.480 16.239 ( 3.391 0.000 1.646) 3.770 16.624 ( 0.415 0.000 -9.060) 9.069 16.775 ( -0.111 0.000 0.478) 0.491 16.831 ( 0.262 0.000 -0.817) 0.858 17.593 ( -0.003 0.000 0.072) 0.072 17.611 ( 0.041 0.000 -0.135) 0.141 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 15.700 0.000 7.949) 17.598 2.176 ( 19.796 0.000 15.323) 25.033 2.263 ( -1.319 0.000 -4.736) 4.917 2.759 ( -15.331 0.000 -10.822) 18.765 2.782 ( 1.739 0.000 4.821) 5.126 2.810 ( -12.686 0.000 -7.712) 14.846 3.368 ( 0.551 0.000 1.795) 1.878 3.396 ( -0.689 0.000 -10.096) 10.119 3.550 ( -6.595 0.000 -8.434) 10.706 3.754 ( -4.964 0.000 -2.991) 5.795 4.051 ( -5.305 0.000 1.180) 5.435 4.056 ( -0.718 0.000 9.336) 9.364 4.281 ( -10.264 0.000 -2.807) 10.641 4.286 ( 8.143 0.000 13.875) 16.088 4.436 ( 2.986 0.000 -5.959) 6.665 4.443 ( 6.026 0.000 4.631) 7.600 5.622 ( -22.126 0.000 -20.300) 30.028 5.632 ( -23.739 0.000 -24.201) 33.901 5.717 ( 11.891 0.000 8.850) 14.823 6.191 ( -3.013 0.000 -6.273) 6.959 6.367 ( 2.625 0.000 4.518) 5.225 6.686 ( -7.736 0.000 -2.864) 8.249 6.735 ( 7.444 0.000 2.770) 7.943 6.876 ( -7.773 0.000 -4.727) 9.098 6.938 ( -8.568 0.000 -1.893) 8.775 7.106 ( 0.681 0.000 -0.841) 1.082 7.354 ( 0.138 0.000 2.371) 2.375 7.421 ( -1.255 0.000 2.223) 2.553 8.091 ( 5.422 0.000 3.906) 6.683 8.170 ( 3.522 0.000 1.710) 3.915 8.599 ( 11.838 0.000 7.732) 14.140 8.987 ( 1.668 0.000 10.808) 10.936 9.102 ( 12.680 0.000 -3.814) 13.241 9.689 ( -2.554 0.000 -7.452) 7.878 10.274 ( 2.002 0.000 3.771) 4.270 10.399 ( -0.323 0.000 1.088) 1.135 11.723 ( 0.646 0.000 1.987) 2.089 11.972 ( 10.118 0.000 -4.434) 11.047 12.291 ( -1.510 0.000 -10.964) 11.067 12.318 ( -17.803 0.000 -15.523) 23.620 13.456 ( 7.298 0.000 15.038) 16.715 13.833 ( 13.975 0.000 12.230) 18.571 13.945 ( -1.649 0.000 9.243) 9.389 14.177 ( 2.479 0.000 1.796) 3.061 14.280 ( -3.334 0.000 -7.015) 7.768 14.485 ( -3.554 0.000 -3.256) 4.820 15.290 ( 4.993 0.000 11.239) 12.298 15.433 ( 1.666 0.000 9.269) 9.418 15.492 ( 1.259 0.000 1.654) 2.079 15.510 ( 0.431 0.000 0.339) 0.548 15.800 ( 0.043 0.000 0.259) 0.263 15.873 ( -2.011 0.000 -1.094) 2.289 16.048 ( 0.224 0.000 1.873) 1.887 16.099 ( -0.445 0.000 0.911) 1.014 16.303 ( 3.525 0.000 1.016) 3.668 16.589 ( -3.808 0.000 -6.684) 7.693 16.778 ( 0.509 0.000 0.301) 0.592 16.830 ( -0.407 0.000 -0.564) 0.696 17.595 ( 0.175 0.000 0.101) 0.202 17.611 ( -0.136 0.000 -0.165) 0.214 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 23.241 0.000 -4.984) 23.769 2.293 ( 1.779 0.000 -0.587) 1.873 2.434 ( -14.764 0.000 -18.461) 23.639 2.526 ( 15.629 0.000 11.720) 19.535 2.535 ( -14.391 0.000 -7.805) 16.371 2.745 ( -6.492 0.000 8.254) 10.501 3.399 ( 1.235 0.000 -9.418) 9.498 3.446 ( -3.829 0.000 -8.557) 9.375 3.464 ( 7.657 0.000 3.985) 8.632 3.620 ( -7.997 0.000 0.610) 8.021 3.991 ( -0.025 0.000 -0.477) 0.477 4.074 ( -8.550 0.000 -2.043) 8.791 4.095 ( 4.298 0.000 7.065) 8.269 4.210 ( -7.164 0.000 6.936) 9.971 4.716 ( 19.714 0.000 -6.075) 20.629 4.748 ( 20.977 0.000 -6.987) 22.110 5.154 ( -24.774 0.000 -15.948) 29.464 5.178 ( -23.272 0.000 -14.273) 27.301 5.954 ( 11.571 0.000 4.637) 12.465 6.121 ( -5.418 0.000 -1.250) 5.560 6.410 ( 3.419 0.000 -5.444) 6.428 6.516 ( -7.496 0.000 -7.698) 10.744 6.749 ( -3.634 0.000 -5.804) 6.848 6.777 ( -6.244 0.000 -5.186) 8.116 6.936 ( 9.554 0.000 7.462) 12.123 7.072 ( -4.409 0.000 3.873) 5.868 7.384 ( 1.836 0.000 3.971) 4.375 7.408 ( -0.637 0.000 3.544) 3.601 8.175 ( 3.100 0.000 3.014) 4.324 8.205 ( 0.083 0.000 2.208) 2.210 8.801 ( 8.968 0.000 10.176) 13.564 8.938 ( -5.123 0.000 12.287) 13.313 9.363 ( 12.637 0.000 -6.485) 14.204 9.573 ( -8.919 0.000 -6.927) 11.293 10.332 ( 3.251 0.000 3.140) 4.520 10.381 ( -1.715 0.000 2.075) 2.692 11.803 ( 7.679 0.000 -3.997) 8.658 12.011 ( -13.661 0.000 -10.162) 17.026 12.137 ( 6.857 0.000 -8.208) 10.695 12.239 ( -3.915 0.000 -10.116) 10.848 13.630 ( 10.269 0.000 13.429) 16.905 13.827 ( -9.408 0.000 11.777) 15.073 14.054 ( 8.824 0.000 9.902) 13.263 14.170 ( -3.175 0.000 6.224) 6.987 14.299 ( 4.285 0.000 -5.923) 7.310 14.399 ( -5.247 0.000 -4.407) 6.852 15.374 ( 3.708 0.000 10.323) 10.969 15.429 ( -1.811 0.000 9.577) 9.747 15.511 ( 0.691 0.000 1.720) 1.854 15.517 ( 0.107 0.000 1.394) 1.399 15.822 ( 1.570 0.000 1.911) 2.473 15.847 ( -1.071 0.000 1.103) 1.537 16.060 ( 1.018 0.000 2.364) 2.574 16.083 ( -1.167 0.000 1.976) 2.295 16.385 ( 5.060 0.000 -1.056) 5.169 16.493 ( -5.781 0.000 -3.818) 6.929 16.794 ( 1.073 0.000 -0.047) 1.074 16.816 ( -1.029 0.000 -0.327) 1.080 17.600 ( 0.322 0.000 0.017) 0.322 17.606 ( -0.306 0.000 -0.105) 0.323 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 26.075 16.680) 30.954 2.096 ( 0.000 8.589 22.070) 23.682 2.474 ( 0.000 -1.020 4.218) 4.339 2.769 ( 0.000 11.206 -4.466) 12.063 2.817 ( 0.000 0.629 -0.639) 0.897 3.183 ( 0.000 0.099 21.934) 21.934 3.453 ( 0.000 4.121 -8.782) 9.700 3.543 ( 0.000 -6.994 1.378) 7.129 3.595 ( 0.000 0.045 -12.617) 12.617 3.693 ( 0.000 -4.043 0.245) 4.051 3.815 ( 0.000 0.621 -6.002) 6.034 4.329 ( 0.000 -8.192 -8.901) 12.097 4.409 ( 0.000 6.259 3.862) 7.355 4.808 ( 0.000 6.629 8.346) 10.658 4.855 ( 0.000 16.429 9.002) 18.734 5.231 ( 0.000 1.440 22.159) 22.206 5.294 ( 0.000 -4.162 14.609) 15.191 5.399 ( 0.000 2.848 11.609) 11.954 6.250 ( 0.000 -0.755 -19.781) 19.795 6.418 ( 0.000 -2.787 -8.406) 8.856 6.458 ( 0.000 -0.695 -12.555) 12.574 6.585 ( 0.000 -3.146 -18.876) 19.136 6.835 ( 0.000 -10.590 0.510) 10.602 6.933 ( 0.000 -8.566 -6.099) 10.515 7.071 ( 0.000 -8.336 -2.780) 8.787 7.193 ( 0.000 -0.962 -4.297) 4.404 7.676 ( 0.000 -5.732 -2.023) 6.079 7.706 ( 0.000 -2.686 -0.990) 2.863 7.873 ( 0.000 12.074 2.109) 12.256 7.971 ( 0.000 9.451 -0.797) 9.485 8.147 ( 0.000 6.859 3.337) 7.628 8.277 ( 0.000 3.981 -6.161) 7.335 9.030 ( 0.000 3.901 11.653) 12.288 9.450 ( 0.000 -2.467 -3.640) 4.397 10.324 ( 0.000 -2.805 0.071) 2.806 10.375 ( 0.000 -0.619 -0.078) 0.624 11.593 ( 0.000 8.732 9.760) 13.095 12.002 ( 0.000 0.039 15.598) 15.598 12.379 ( 0.000 10.594 -9.705) 14.368 13.102 ( 0.000 4.496 5.412) 7.036 13.284 ( 0.000 -1.984 -5.230) 5.594 13.443 ( 0.000 1.669 1.868) 2.505 13.556 ( 0.000 -7.034 -1.505) 7.194 13.857 ( 0.000 4.267 -2.645) 5.021 14.497 ( 0.000 -1.418 -3.505) 3.781 14.610 ( 0.000 -1.556 -1.499) 2.160 14.989 ( 0.000 -6.770 5.024) 8.430 15.150 ( 0.000 -10.193 6.690) 12.192 15.480 ( 0.000 2.075 1.352) 2.476 15.527 ( 0.000 1.776 -1.815) 2.540 15.993 ( 0.000 -2.742 -1.570) 3.160 15.996 ( 0.000 -2.398 -2.330) 3.344 16.071 ( 0.000 0.134 -0.576) 0.592 16.083 ( 0.000 0.475 -0.871) 0.992 16.156 ( 0.000 -0.916 -3.000) 3.137 16.331 ( 0.000 -10.659 -1.763) 10.804 16.842 ( 0.000 5.307 0.384) 5.321 17.012 ( 0.000 12.110 -7.548) 14.270 17.557 ( 0.000 -4.801 0.076) 4.802 17.581 ( 0.000 -1.460 -1.364) 1.998 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 3.785 19.333 18.712) 27.170 1.871 ( -14.998 13.462 24.022) 31.357 2.400 ( -4.416 -1.933 -0.055) 4.821 2.735 ( -0.666 6.558 -2.549) 7.067 2.899 ( 1.667 3.139 1.271) 3.774 3.331 ( 5.961 -2.294 13.204) 14.668 3.435 ( -1.286 1.262 -10.941) 11.088 3.481 ( 0.345 1.415 -6.492) 6.654 3.582 ( -4.073 -5.344 -5.942) 8.970 3.674 ( -1.462 -4.375 -1.485) 4.846 3.813 ( 0.930 0.350 -1.989) 2.224 4.268 ( -6.922 -8.131 -6.278) 12.387 4.395 ( -0.308 8.558 7.102) 11.125 4.631 ( -12.578 8.416 12.880) 19.873 4.747 ( -12.564 5.632 14.055) 19.675 5.001 ( -7.098 14.597 -0.482) 16.238 5.440 ( 6.073 2.680 15.513) 16.874 5.707 ( 21.021 -4.411 16.583) 27.136 6.209 ( -5.126 -0.856 -21.029) 21.662 6.317 ( -10.631 -1.685 -19.736) 22.480 6.354 ( -5.598 -1.673 -8.728) 10.504 6.642 ( 0.624 -4.050 -7.734) 8.752 6.845 ( 1.182 -9.775 -0.555) 9.862 6.902 ( -1.297 -8.884 -3.889) 9.785 7.043 ( -3.473 -5.648 -3.025) 7.287 7.156 ( -3.012 0.832 -3.893) 4.992 7.551 ( -8.821 -5.353 -1.215) 10.390 7.615 ( -8.510 -1.334 -4.238) 9.600 7.958 ( 5.558 9.333 3.550) 11.428 8.058 ( 7.107 9.756 1.017) 12.113 8.177 ( 6.453 3.943 4.205) 8.653 8.463 ( 14.841 3.320 -6.616) 16.585 9.039 ( 1.022 4.182 11.878) 12.634 9.522 ( 6.551 -2.077 -4.603) 8.272 10.294 ( -2.771 -2.700 0.495) 3.900 10.375 ( -0.079 -1.392 -0.406) 1.452 11.663 ( 6.886 7.998 7.605) 13.008 11.927 ( -6.400 1.334 12.935) 14.493 12.388 ( 0.851 10.194 -10.169) 14.424 13.079 ( -15.422 3.052 -18.556) 24.321 13.241 ( 8.740 -0.559 10.168) 13.420 13.350 ( -1.042 -0.447 12.569) 12.620 13.720 ( 8.277 -5.976 2.446) 10.498 13.946 ( 7.807 3.113 -5.375) 9.977 14.474 ( -2.332 -1.053 -3.544) 4.371 14.589 ( -2.055 -0.613 -2.232) 3.095 15.022 ( 3.444 -6.683 7.721) 10.777 15.179 ( 2.882 -10.031 6.996) 12.565 15.486 ( 0.578 2.156 1.445) 2.659 15.525 ( -0.084 1.740 -1.556) 2.335 15.903 ( -5.072 -1.495 -1.911) 5.623 15.988 ( -4.181 -3.867 -2.930) 6.405 16.066 ( -0.365 0.403 -0.146) 0.563 16.092 ( 0.587 0.348 -0.802) 1.053 16.163 ( 2.626 -0.692 0.434) 2.750 16.407 ( 5.288 -9.888 -3.710) 11.811 16.842 ( 0.012 5.370 0.430) 5.388 17.001 ( -1.093 11.268 -6.776) 13.193 17.557 ( 0.019 -4.752 0.030) 4.752 17.578 ( -0.216 -1.706 -1.251) 2.126 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -7.639 8.114 22.651) 25.244 2.018 ( 12.671 17.133 14.815) 25.954 2.311 ( -4.263 -2.005 -2.955) 5.561 2.736 ( 0.522 1.830 1.861) 2.662 2.915 ( -0.127 4.023 0.297) 4.036 3.130 ( -15.933 -0.820 -6.887) 17.377 3.390 ( -7.194 -4.673 -6.476) 10.749 3.478 ( -2.743 1.300 -7.200) 7.814 3.605 ( -3.674 -4.117 -6.978) 8.896 3.683 ( 7.540 -3.484 -3.813) 9.139 3.869 ( 4.352 -3.782 3.863) 6.941 4.087 ( -9.936 -6.785 -1.044) 12.077 4.409 ( -7.045 11.232 9.967) 16.587 4.417 ( -2.838 3.053 10.125) 10.949 4.546 ( -2.719 10.537 10.663) 15.235 4.883 ( -6.711 22.454 -3.779) 23.738 5.566 ( 7.664 3.826 11.592) 14.413 5.932 ( -11.510 -3.454 -19.283) 22.721 6.053 ( -10.449 1.067 -20.867) 23.362 6.156 ( 5.116 -4.531 7.228) 9.948 6.269 ( -2.660 0.330 -4.539) 5.272 6.587 ( -2.405 -6.132 0.358) 6.596 6.840 ( -5.755 -6.410 -4.576) 9.754 6.895 ( 0.297 -5.286 -3.395) 6.289 7.000 ( 1.886 -5.529 0.953) 5.919 7.077 ( -6.180 1.126 -3.811) 7.347 7.386 ( -7.754 -7.151 -0.110) 10.548 7.443 ( -7.669 -1.248 -3.658) 8.588 8.075 ( 6.305 8.414 4.241) 11.337 8.176 ( 5.421 8.780 1.916) 10.496 8.379 ( 12.397 2.169 5.571) 13.763 8.767 ( 15.275 0.886 -4.707) 16.009 9.071 ( 2.462 5.406 10.354) 11.936 9.657 ( 6.134 -0.652 -6.370) 8.867 10.233 ( -2.940 -3.618 1.563) 4.917 10.370 ( -0.542 -2.670 -0.711) 2.815 11.798 ( -1.309 3.572 6.651) 7.662 11.850 ( 7.295 6.447 3.862) 10.473 12.400 ( -0.011 9.132 -10.841) 14.174 12.733 ( -18.499 4.421 -18.512) 26.542 13.314 ( 1.863 -3.505 14.466) 15.001 13.520 ( 13.354 -1.148 10.874) 17.260 13.848 ( 5.418 -5.130 4.747) 8.843 14.085 ( 5.334 -1.063 -4.227) 6.889 14.409 ( -3.988 1.865 -2.862) 5.251 14.550 ( -1.681 1.340 -1.198) 2.461 15.111 ( 5.289 -6.771 10.392) 13.484 15.251 ( 4.178 -9.682 7.786) 13.108 15.502 ( 1.016 2.148 1.781) 2.969 15.528 ( 0.433 1.980 -0.647) 2.127 15.816 ( -3.622 -1.558 -1.278) 4.145 15.901 ( -3.892 -2.871 -2.244) 5.332 16.061 ( -0.080 0.948 0.857) 1.281 16.104 ( 0.563 0.475 -0.134) 0.749 16.223 ( 3.048 -1.346 1.367) 3.602 16.484 ( 2.273 -8.821 -4.459) 10.142 16.843 ( 0.103 5.531 0.392) 5.546 16.971 ( -1.928 9.472 -4.786) 10.786 17.557 ( -0.043 -4.571 -0.092) 4.572 17.573 ( -0.362 -2.485 -0.901) 2.668 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 13.369 5.000 7.706) 16.221 2.202 ( 2.764 -0.548 3.948) 4.850 2.339 ( 10.545 8.103 3.641) 13.789 2.714 ( -5.397 -3.023 0.028) 6.186 2.777 ( -14.600 1.557 -10.049) 17.792 2.895 ( -6.492 4.489 -3.771) 8.747 3.292 ( -0.857 -6.569 2.627) 7.126 3.421 ( -3.419 -5.000 -4.463) 7.524 3.526 ( -3.133 3.020 -7.941) 9.055 3.725 ( -2.628 -2.071 -3.307) 4.704 3.896 ( -3.942 -4.037 2.862) 6.326 3.961 ( -2.887 -7.487 -2.162) 8.311 4.321 ( -3.023 2.846 -0.167) 4.155 4.361 ( 5.525 2.563 3.532) 7.041 4.683 ( 6.780 19.889 9.103) 22.900 4.737 ( -3.435 23.102 -2.593) 23.499 5.542 ( -23.146 -2.726 -21.368) 31.619 5.725 ( -7.942 4.889 -12.064) 15.249 5.784 ( 0.424 5.785 1.257) 5.935 6.186 ( -2.854 0.093 -4.748) 5.541 6.317 ( 4.041 -4.304 5.043) 7.765 6.644 ( 0.405 -4.546 3.165) 5.554 6.718 ( 1.461 -2.274 -4.145) 4.949 6.843 ( -5.466 -4.024 -2.349) 7.182 6.902 ( -11.107 -0.093 -3.595) 11.675 7.065 ( 2.732 -5.421 0.960) 6.146 7.287 ( -2.050 -6.987 2.163) 7.596 7.344 ( -3.164 -5.776 0.447) 6.601 8.189 ( 5.339 8.361 3.739) 10.601 8.263 ( 3.382 8.231 2.136) 9.152 8.613 ( 11.451 1.214 7.780) 13.897 8.967 ( 3.199 -2.108 8.293) 9.135 9.180 ( 10.476 7.164 -2.347) 12.906 9.710 ( -1.430 1.841 -7.838) 8.177 10.211 ( 1.076 -5.708 2.491) 6.321 10.353 ( -1.260 -4.229 -0.502) 4.441 11.778 ( 1.650 5.203 2.836) 6.151 12.038 ( 9.214 5.457 -2.979) 11.116 12.358 ( -8.775 6.466 -11.772) 16.043 12.415 ( -9.619 7.963 -14.160) 18.880 13.393 ( 6.310 -4.585 13.832) 15.880 13.721 ( 5.400 -7.534 10.494) 14.002 13.939 ( 4.629 -3.003 5.198) 7.581 14.134 ( 0.305 -4.666 -1.153) 4.816 14.361 ( -0.234 6.803 0.102) 6.808 14.518 ( -1.992 3.674 -0.445) 4.203 15.211 ( 4.834 -7.045 10.892) 13.843 15.321 ( 2.579 -9.084 8.677) 12.825 15.518 ( 0.645 1.820 1.786) 2.630 15.539 ( 0.426 2.292 0.893) 2.496 15.776 ( -0.386 -2.150 0.451) 2.231 15.847 ( -1.817 -2.272 -1.156) 3.131 16.065 ( 0.528 1.514 1.849) 2.447 16.109 ( -0.156 0.840 0.937) 1.268 16.279 ( 3.034 -1.980 1.080) 3.781 16.490 ( -1.641 -7.021 -3.953) 8.223 16.848 ( 0.491 5.736 0.102) 5.758 16.931 ( -2.094 7.734 -2.577) 8.417 17.556 ( -0.064 -4.326 -0.200) 4.331 17.566 ( -0.350 -3.532 -0.513) 3.586 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 21.372 1.273 -4.424) 21.862 2.263 ( 2.786 -1.760 1.017) 3.448 2.402 ( -10.447 -1.554 -14.338) 17.808 2.506 ( -13.774 -1.758 -6.804) 15.463 2.643 ( 8.333 7.090 4.984) 12.023 2.798 ( -5.684 3.842 4.813) 8.381 3.318 ( 1.953 -8.299 -1.719) 8.697 3.358 ( -2.634 -8.254 -4.619) 9.819 3.527 ( 3.469 4.970 -0.565) 6.087 3.629 ( -6.109 1.255 0.438) 6.252 3.834 ( -0.953 -4.685 1.266) 4.946 3.876 ( -4.744 -5.359 0.676) 7.189 4.354 ( 6.051 10.540 -3.873) 12.755 4.515 ( -8.783 17.220 -3.904) 19.721 4.623 ( 17.451 -2.199 -8.847) 19.689 4.948 ( 3.078 8.265 -6.237) 10.802 5.116 ( -10.437 7.078 -8.464) 15.188 5.371 ( -19.161 13.105 -8.707) 24.793 5.984 ( 10.123 2.943 4.460) 11.446 6.123 ( -4.419 0.677 -1.129) 4.611 6.406 ( 6.068 -0.902 -3.534) 7.080 6.537 ( -6.386 1.275 -5.983) 8.843 6.696 ( -5.241 -6.337 -4.669) 9.456 6.707 ( -6.612 -2.448 -4.896) 8.584 6.923 ( 9.730 -2.096 5.701) 11.470 7.060 ( -3.828 -2.132 3.137) 5.389 7.282 ( 0.791 -9.122 3.916) 9.959 7.303 ( -1.353 -9.648 3.341) 10.300 8.271 ( 2.972 8.419 3.025) 9.427 8.299 ( 0.221 8.325 2.438) 8.678 8.809 ( 8.657 0.382 10.001) 13.232 8.939 ( -4.634 -0.462 11.561) 12.464 9.410 ( 11.776 4.666 -6.643) 14.303 9.608 ( -8.384 3.408 -7.463) 11.730 10.261 ( 3.323 -6.481 1.524) 7.441 10.318 ( -2.411 -5.723 0.277) 6.216 11.870 ( 7.855 6.257 -2.671) 10.391 12.065 ( -10.905 5.340 -7.623) 14.337 12.228 ( 4.915 7.317 -8.807) 12.460 12.328 ( -4.407 7.423 -10.344) 13.473 13.543 ( 8.676 -6.428 12.561) 16.564 13.697 ( -6.297 -8.779 10.994) 15.414 14.041 ( 5.311 -3.870 3.621) 7.503 14.118 ( -2.287 -5.429 1.664) 6.121 14.395 ( 3.318 8.079 1.555) 8.871 14.466 ( -3.434 6.318 0.830) 7.239 15.292 ( 3.458 -7.396 10.357) 13.188 15.337 ( -0.977 -8.139 9.594) 12.619 15.530 ( 0.587 1.672 1.748) 2.489 15.539 ( -0.316 1.957 1.457) 2.460 15.792 ( 1.539 -2.549 1.745) 3.451 15.820 ( -1.262 -2.287 0.821) 2.738 16.080 ( 0.981 1.759 2.347) 3.093 16.099 ( -0.814 1.411 1.968) 2.555 16.347 ( 4.075 -3.094 -0.469) 5.138 16.430 ( -4.157 -4.888 -2.472) 6.876 16.864 ( 1.221 5.955 -0.383) 6.091 16.893 ( -1.797 6.513 -1.136) 6.851 17.556 ( 0.104 -4.275 -0.238) 4.283 17.560 ( -0.275 -4.149 -0.313) 4.170 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 15.804 14.285) 21.304 2.311 ( 0.000 9.229 16.136) 18.589 2.498 ( 0.000 4.177 13.545) 14.175 2.812 ( 0.000 -2.365 6.623) 7.033 3.030 ( 0.000 11.841 -4.989) 12.849 3.193 ( 0.000 1.430 4.814) 5.022 3.406 ( 0.000 -4.165 -1.666) 4.486 3.484 ( 0.000 -7.551 -8.415) 11.306 3.523 ( 0.000 1.887 -8.999) 9.195 3.700 ( 0.000 -0.599 -6.236) 6.265 3.797 ( 0.000 1.263 -5.545) 5.687 4.139 ( 0.000 -9.608 -10.373) 14.139 4.504 ( 0.000 5.986 17.118) 18.134 4.973 ( 0.000 -8.140 22.366) 23.801 5.177 ( 0.000 22.207 8.025) 23.613 5.270 ( 0.000 4.035 19.928) 20.332 5.274 ( 0.000 1.589 16.783) 16.858 5.630 ( 0.000 19.169 -2.125) 19.287 6.206 ( 0.000 -4.073 -8.513) 9.437 6.364 ( 0.000 -2.045 -6.862) 7.160 6.446 ( 0.000 0.085 -16.537) 16.537 6.509 ( 0.000 -3.832 -20.902) 21.251 6.570 ( 0.000 -11.954 -4.727) 12.855 6.736 ( 0.000 -10.159 -8.451) 13.215 6.911 ( 0.000 -5.513 -3.217) 6.383 7.060 ( 0.000 -10.926 -4.202) 11.707 7.578 ( 0.000 -2.138 -1.824) 2.810 7.631 ( 0.000 -3.292 -1.182) 3.498 8.142 ( 0.000 11.137 1.301) 11.213 8.185 ( 0.000 8.960 -0.590) 8.980 8.287 ( 0.000 5.102 3.724) 6.316 8.346 ( 0.000 1.831 -2.258) 2.907 9.138 ( 0.000 5.835 7.139) 9.221 9.375 ( 0.000 -4.540 -1.326) 4.730 10.270 ( 0.000 -1.468 -1.344) 1.990 10.340 ( 0.000 -2.687 -2.384) 3.592 11.809 ( 0.000 10.009 12.082) 15.689 12.005 ( 0.000 -0.176 16.106) 16.107 12.689 ( 0.000 17.761 -10.116) 20.440 13.175 ( 0.000 1.908 7.455) 7.695 13.321 ( 0.000 0.282 -19.116) 19.118 13.401 ( 0.000 -7.155 2.547) 7.594 13.440 ( 0.000 3.147 7.525) 8.157 13.881 ( 0.000 -3.606 -7.229) 8.078 14.478 ( 0.000 0.711 0.881) 1.132 14.590 ( 0.000 0.011 3.580) 3.580 14.807 ( 0.000 -9.108 1.898) 9.303 14.902 ( 0.000 -11.523 5.534) 12.783 15.528 ( 0.000 2.403 0.060) 2.404 15.568 ( 0.000 1.619 -2.696) 3.145 15.920 ( 0.000 -4.183 0.052) 4.184 15.921 ( 0.000 -3.532 -0.620) 3.586 16.075 ( 0.000 0.325 -0.475) 0.575 16.091 ( 0.000 0.158 -0.980) 0.992 16.136 ( 0.000 -0.796 -1.822) 1.989 16.166 ( 0.000 -4.339 0.339) 4.352 16.997 ( 0.000 8.896 0.601) 8.916 17.244 ( 0.000 9.010 -9.425) 13.039 17.415 ( 0.000 -7.953 0.071) 7.954 17.528 ( 0.000 -3.605 -4.436) 5.716 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -15.262 10.598 21.816) 28.656 2.330 ( 1.914 10.996 9.086) 14.392 2.363 ( -7.896 6.986 9.929) 14.482 2.821 ( -0.561 -0.334 6.823) 6.854 3.017 ( -1.112 7.156 -2.040) 7.524 3.235 ( -3.167 -6.304 2.312) 7.424 3.403 ( -5.681 -5.238 -5.296) 9.368 3.447 ( 5.856 0.458 -8.581) 10.399 3.537 ( -1.006 0.617 -7.391) 7.485 3.659 ( -2.195 -0.812 -8.146) 8.475 3.798 ( -0.168 0.718 -4.981) 5.035 4.087 ( -5.292 -8.541 -8.187) 12.961 4.514 ( 0.060 5.111 17.597) 18.324 4.743 ( -15.103 -2.343 18.995) 24.380 5.010 ( -6.727 20.119 10.602) 23.716 5.419 ( 6.493 17.931 6.214) 20.057 5.518 ( 15.200 -2.379 18.979) 24.432 5.680 ( 5.863 12.417 3.958) 14.291 6.149 ( -5.500 -5.737 -11.905) 14.314 6.284 ( -12.361 -1.244 -22.070) 25.327 6.336 ( -2.063 0.520 -5.905) 6.277 6.512 ( -2.762 -8.029 -10.637) 13.610 6.618 ( 2.325 -10.038 -2.379) 10.575 6.707 ( 0.153 -9.171 -7.611) 11.919 6.919 ( -0.788 -4.597 -4.006) 6.148 7.057 ( -0.464 -9.821 -3.851) 10.559 7.465 ( -9.584 -0.970 -1.471) 9.745 7.558 ( -7.331 -3.403 -3.207) 8.695 8.173 ( 3.366 8.935 3.022) 10.015 8.267 ( 5.471 4.372 3.984) 8.057 8.290 ( 5.417 9.823 1.325) 11.295 8.514 ( 12.306 0.585 -2.838) 12.642 9.164 ( 2.718 7.167 6.637) 10.139 9.451 ( 7.136 -4.731 -2.314) 8.869 10.240 ( -3.093 -1.510 -1.506) 3.757 10.325 ( -1.451 -3.326 -2.700) 4.523 11.856 ( 4.532 8.513 10.286) 14.100 11.967 ( -3.054 1.930 13.886) 14.348 12.681 ( -0.928 16.190 -10.555) 19.349 13.124 ( -13.563 -0.718 -16.186) 21.130 13.238 ( 3.563 0.971 9.753) 10.429 13.394 ( 1.970 5.170 3.881) 6.758 13.573 ( 7.548 -6.861 3.191) 10.688 13.920 ( 2.936 -6.725 -7.285) 10.340 14.480 ( 0.395 2.515 1.697) 3.060 14.598 ( 0.723 1.771 2.469) 3.124 14.838 ( 3.239 -9.611 5.196) 11.396 14.936 ( 3.235 -11.344 5.914) 13.195 15.534 ( 0.645 2.378 0.168) 2.470 15.567 ( 0.082 1.759 -2.414) 2.988 15.859 ( -4.389 -2.396 -0.459) 5.022 15.894 ( -3.272 -4.231 -0.501) 5.372 16.079 ( 0.384 0.817 -0.077) 0.906 16.098 ( 0.797 0.231 -0.642) 1.049 16.149 ( 2.023 -0.480 -0.233) 2.092 16.234 ( 4.644 -5.957 -1.071) 7.629 16.998 ( 0.092 8.914 0.592) 8.935 17.224 ( -1.995 9.055 -8.415) 12.522 17.415 ( 0.000 -8.088 0.108) 8.089 17.519 ( -0.898 -3.997 -4.095) 5.793 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -8.847 11.892 17.739) 23.116 2.202 ( -6.621 -5.288 5.301) 9.995 2.424 ( 5.862 15.866 7.819) 18.634 2.788 ( -3.243 2.062 4.537) 5.946 2.998 ( -0.986 2.166 0.556) 2.444 3.063 ( -11.986 -5.565 -5.813) 14.437 3.259 ( -8.865 -4.672 -4.247) 10.884 3.385 ( -8.907 -5.603 -3.446) 11.072 3.619 ( 5.149 0.788 -11.335) 12.474 3.685 ( 3.383 3.709 -8.638) 9.991 3.788 ( 0.120 -3.351 -3.224) 4.652 3.962 ( -6.772 -4.990 -4.086) 9.351 4.449 ( -6.317 1.460 10.076) 11.981 4.495 ( -9.735 0.604 12.306) 15.703 5.027 ( 7.658 27.072 12.931) 30.964 5.433 ( -6.299 25.684 -5.680) 27.048 5.704 ( 7.202 8.865 9.678) 14.971 5.850 ( -1.040 -4.635 -4.643) 6.642 6.030 ( -1.279 -4.535 -2.949) 5.559 6.057 ( -6.181 -3.344 -14.074) 15.731 6.306 ( -2.232 4.076 -4.252) 6.299 6.421 ( -3.376 -8.012 -2.113) 8.948 6.637 ( -0.128 -12.116 -0.977) 12.156 6.764 ( 3.858 -9.059 -5.588) 11.321 6.868 ( -3.783 -3.762 -2.274) 5.800 7.026 ( -2.977 -8.636 -2.200) 9.396 7.257 ( -11.427 -0.781 -1.127) 11.509 7.392 ( -8.956 -3.546 -3.973) 10.420 8.269 ( 6.176 8.375 4.470) 11.325 8.366 ( 5.926 5.872 4.856) 9.653 8.462 ( 9.690 6.928 3.216) 12.339 8.749 ( 10.783 -2.911 -0.232) 11.171 9.244 ( 5.648 10.088 3.583) 12.104 9.612 ( 8.709 -4.224 -4.384) 10.626 10.158 ( -5.065 -2.090 -1.685) 5.732 10.286 ( -2.582 -5.025 -3.400) 6.594 11.906 ( -0.541 6.047 8.846) 10.729 11.992 ( 7.341 5.107 6.332) 10.957 12.648 ( -2.788 12.560 -11.264) 17.100 12.838 ( -15.155 4.021 -16.204) 22.548 13.282 ( 1.915 2.191 9.608) 10.039 13.501 ( 6.999 -0.018 7.699) 10.404 13.700 ( 5.631 -8.051 1.827) 9.993 13.960 ( 0.930 -10.589 -4.803) 11.665 14.497 ( 1.389 6.277 3.759) 7.447 14.620 ( 1.571 5.323 2.736) 6.188 14.920 ( 4.873 -10.452 8.805) 14.509 15.012 ( 4.306 -11.500 7.178) 14.224 15.551 ( 0.968 2.441 0.775) 2.738 15.578 ( 1.084 2.290 -1.292) 2.844 15.774 ( -4.031 -2.026 0.008) 4.512 15.828 ( -3.033 -3.613 -1.214) 4.871 16.090 ( 0.766 1.715 0.829) 2.053 16.117 ( 1.013 0.672 0.043) 1.216 16.193 ( 2.258 -1.114 0.742) 2.624 16.311 ( 2.913 -6.993 -1.578) 7.738 17.000 ( 0.229 8.958 0.451) 8.972 17.174 ( -3.018 9.072 -6.049) 11.314 17.415 ( 0.006 -8.282 0.060) 8.283 17.495 ( -1.546 -4.989 -3.136) 6.092 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 8.081 8.975 5.952) 13.464 2.138 ( 0.622 -5.406 0.619) 5.477 2.528 ( 2.640 8.020 2.893) 8.925 2.673 ( -9.181 -0.864 -0.631) 9.243 2.813 ( -10.289 1.761 -6.995) 12.566 2.975 ( -4.276 2.316 -4.161) 6.401 3.112 ( -3.568 -8.139 3.834) 9.679 3.236 ( -6.219 -8.889 -2.986) 11.251 3.651 ( -0.893 5.976 -6.448) 8.837 3.709 ( -0.288 1.223 -3.145) 3.387 3.832 ( 0.933 -4.858 -3.350) 5.974 3.850 ( -3.658 -1.868 -1.436) 4.351 4.367 ( 0.479 1.908 -0.936) 2.179 4.405 ( 1.695 0.924 2.118) 2.866 5.148 ( -8.020 19.087 -3.911) 21.069 5.248 ( -3.175 20.780 -4.395) 21.476 5.537 ( -16.467 5.021 -13.321) 21.767 5.888 ( 8.359 10.269 4.020) 13.838 5.943 ( -5.167 10.065 -6.742) 13.171 6.202 ( 8.652 -4.748 6.549) 11.845 6.219 ( -3.697 1.390 -1.074) 4.093 6.479 ( 5.865 -10.371 5.463) 13.108 6.598 ( -2.732 -8.751 -4.802) 10.349 6.777 ( -3.468 -1.357 -1.919) 4.189 6.829 ( -0.583 -11.685 -2.357) 11.935 6.959 ( -3.250 -3.443 -1.982) 5.133 7.063 ( -6.657 -7.778 3.213) 10.731 7.229 ( -8.078 -5.452 -2.206) 9.992 8.391 ( 6.077 9.274 4.494) 11.964 8.472 ( 4.413 9.567 4.005) 11.271 8.642 ( 8.817 1.588 6.613) 11.136 8.891 ( 3.568 -5.128 5.883) 8.581 9.384 ( 8.801 11.348 -2.343) 14.551 9.747 ( 3.929 0.138 -7.204) 8.207 10.067 ( -3.296 -5.724 -1.004) 6.681 10.227 ( -3.572 -7.292 -3.823) 8.975 11.936 ( 3.968 9.037 4.280) 10.758 12.150 ( 8.293 3.244 0.533) 8.921 12.529 ( -11.841 8.169 -11.293) 18.289 12.600 ( -6.749 7.515 -12.743) 16.261 13.346 ( 4.755 2.273 9.633) 10.980 13.592 ( 1.573 -2.968 8.402) 9.049 13.795 ( 4.408 -9.841 0.039) 10.783 13.960 ( -0.718 -11.390 -1.018) 11.458 14.538 ( 2.917 9.553 5.962) 11.633 14.646 ( 0.780 7.937 4.165) 8.997 15.012 ( 4.440 -10.969 10.094) 15.554 15.086 ( 2.972 -11.978 8.394) 14.926 15.566 ( 0.590 2.622 1.548) 3.101 15.600 ( 0.714 3.167 0.344) 3.265 15.719 ( -1.283 -2.823 0.937) 3.240 15.785 ( -1.548 -3.445 -0.944) 3.893 16.108 ( 1.133 2.441 1.692) 3.179 16.133 ( 0.642 1.464 0.901) 1.835 16.232 ( 1.903 -2.085 1.140) 3.044 16.339 ( 0.046 -6.594 -1.388) 6.739 17.008 ( 0.618 8.990 0.022) 9.012 17.114 ( -2.978 9.012 -3.581) 10.145 17.416 ( 0.127 -8.300 -0.159) 8.303 17.464 ( -1.588 -6.202 -1.971) 6.699 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 16.872 3.830 -3.906) 17.737 2.224 ( 7.060 -2.529 -1.803) 7.713 2.382 ( -13.833 -0.217 -10.326) 17.264 2.457 ( -12.724 -2.652 -5.959) 14.299 2.783 ( 4.720 5.973 2.057) 7.886 2.879 ( -4.787 3.833 0.885) 6.196 3.103 ( 1.065 -10.033 0.735) 10.117 3.144 ( -3.351 -9.889 -1.958) 10.623 3.645 ( 0.849 5.442 -0.016) 5.507 3.680 ( -2.324 3.210 0.176) 3.967 3.791 ( -0.742 -1.199 -0.598) 1.531 3.816 ( -2.705 -2.083 0.315) 3.429 4.506 ( 12.963 4.309 -10.942) 17.503 4.584 ( 16.032 -0.509 -9.174) 18.478 4.826 ( -18.200 9.274 -14.034) 24.783 4.977 ( -22.027 -0.931 -16.830) 27.737 5.553 ( 10.401 27.078 7.164) 29.878 5.760 ( -10.332 23.038 0.082) 25.249 6.076 ( 7.232 5.147 2.976) 9.362 6.171 ( -2.756 4.050 -0.717) 4.951 6.357 ( 8.539 -3.388 -0.203) 9.189 6.516 ( -5.155 -5.289 0.921) 7.442 6.544 ( 1.449 -6.763 -4.056) 8.018 6.682 ( -9.898 -2.636 -3.237) 10.742 6.841 ( 8.397 -4.117 2.118) 9.589 6.956 ( 0.136 -6.810 2.474) 7.246 7.006 ( -0.792 -15.721 3.726) 16.176 7.073 ( -7.556 -9.089 0.848) 11.850 8.488 ( 3.580 10.684 4.111) 11.994 8.520 ( 0.380 11.308 3.773) 11.927 8.795 ( 6.824 -2.249 8.775) 11.342 8.892 ( -2.949 -4.290 8.993) 10.391 9.565 ( 9.384 9.649 -6.081) 14.770 9.721 ( -6.006 7.176 -7.903) 12.248 10.071 ( 3.276 -10.726 -1.690) 11.341 10.150 ( -4.281 -9.609 -3.373) 11.047 12.057 ( 8.386 10.609 -0.826) 13.548 12.229 ( -6.178 9.009 -4.511) 11.819 12.368 ( 2.297 3.781 -7.326) 8.558 12.482 ( -6.430 4.676 -9.587) 12.455 13.455 ( 6.135 0.558 9.227) 11.095 13.561 ( -4.251 -1.857 8.545) 9.723 13.874 ( 3.729 -11.229 -0.004) 11.832 13.933 ( -2.251 -11.574 0.309) 11.795 14.599 ( 2.994 10.510 6.594) 12.764 14.642 ( -1.299 9.627 5.693) 11.260 15.084 ( 2.830 -11.367 10.027) 15.419 15.114 ( -0.133 -11.868 9.340) 15.103 15.579 ( 0.852 2.863 1.713) 3.443 15.597 ( -0.803 3.348 1.248) 3.662 15.725 ( 1.482 -3.522 1.586) 4.137 15.757 ( -1.557 -3.507 0.681) 3.897 16.130 ( 0.945 2.788 2.092) 3.611 16.140 ( -0.052 2.469 1.693) 2.994 16.272 ( 2.306 -3.648 0.580) 4.354 16.317 ( -2.090 -5.286 -0.544) 5.710 17.027 ( 1.403 8.970 -0.700) 9.106 17.063 ( -2.311 8.954 -1.798) 9.420 17.422 ( 0.519 -7.997 -0.512) 8.031 17.437 ( -1.113 -7.283 -1.068) 7.444 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 0.000 -1.965 14.676) 14.807 2.383 ( 0.000 1.965 14.676) 14.807 2.677 ( 0.000 -9.751 15.790) 18.558 2.677 ( 0.000 9.751 15.790) 18.558 3.195 ( 0.000 -3.139 -6.164) 6.917 3.195 ( 0.000 3.139 -6.164) 6.917 3.395 ( 0.000 -1.329 -8.272) 8.378 3.395 ( 0.000 1.329 -8.272) 8.378 3.578 ( 0.000 -5.651 -4.771) 7.396 3.578 ( 0.000 5.651 -4.771) 7.396 3.937 ( 0.000 -8.899 -10.183) 13.524 3.937 ( 0.000 8.899 -10.183) 13.524 4.719 ( 0.000 -12.981 23.468) 26.819 4.719 ( 0.000 12.981 23.468) 26.819 5.279 ( 0.000 -0.761 20.194) 20.208 5.279 ( 0.000 0.761 20.194) 20.208 5.702 ( 0.000 -18.601 4.593) 19.159 5.702 ( 0.000 18.601 4.593) 19.159 6.277 ( 0.000 -10.869 -6.023) 12.426 6.277 ( 0.000 10.869 -6.023) 12.426 6.433 ( 0.000 -0.784 -18.312) 18.329 6.433 ( 0.000 0.784 -18.312) 18.329 6.508 ( 0.000 -6.923 -12.539) 14.324 6.508 ( 0.000 6.923 -12.539) 14.324 6.878 ( 0.000 -3.306 -3.846) 5.072 6.878 ( 0.000 3.306 -3.846) 5.072 7.578 ( 0.000 -1.561 -1.661) 2.280 7.578 ( 0.000 1.561 -1.661) 2.280 8.289 ( 0.000 -1.222 0.719) 1.418 8.289 ( 0.000 1.222 0.719) 1.418 8.344 ( 0.000 -1.487 1.575) 2.166 8.344 ( 0.000 1.487 1.575) 2.166 9.264 ( 0.000 -5.729 2.438) 6.226 9.264 ( 0.000 5.729 2.438) 6.226 10.279 ( 0.000 -2.225 -3.004) 3.738 10.279 ( 0.000 2.225 -3.004) 3.738 11.966 ( 0.000 -4.256 15.051) 15.642 11.966 ( 0.000 4.256 15.051) 15.642 13.073 ( 0.000 -16.112 -11.653) 19.884 13.073 ( 0.000 16.112 -11.653) 19.884 13.269 ( 0.000 -4.458 5.050) 6.736 13.269 ( 0.000 4.458 5.050) 6.736 13.682 ( 0.000 -13.550 -4.533) 14.288 13.682 ( 0.000 13.550 -4.533) 14.288 14.553 ( 0.000 -5.122 6.637) 8.384 14.553 ( 0.000 5.122 6.637) 8.384 14.722 ( 0.000 -3.947 0.214) 3.953 14.722 ( 0.000 3.947 0.214) 3.953 15.574 ( 0.000 -1.323 -2.196) 2.564 15.574 ( 0.000 1.323 -2.196) 2.564 15.871 ( 0.000 -0.375 1.244) 1.300 15.871 ( 0.000 0.375 1.244) 1.300 16.085 ( 0.000 -0.577 -0.465) 0.741 16.085 ( 0.000 0.577 -0.465) 0.741 16.127 ( 0.000 -0.129 -0.967) 0.976 16.127 ( 0.000 0.129 -0.967) 0.976 17.201 ( 0.000 -9.771 0.388) 9.779 17.201 ( 0.000 9.771 0.388) 9.779 17.424 ( 0.000 -6.094 -7.651) 9.781 17.424 ( 0.000 6.094 -7.651) 9.781 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -11.902 -6.977 15.449) 20.712 2.245 ( -11.902 6.977 15.449) 20.712 2.695 ( 1.398 -11.601 12.249) 16.929 2.695 ( 1.398 11.601 12.249) 16.929 3.122 ( -6.113 -3.645 -4.355) 8.344 3.122 ( -6.113 3.645 -4.355) 8.344 3.416 ( -2.225 -4.368 -7.120) 8.645 3.416 ( -2.225 4.368 -7.120) 8.645 3.573 ( 1.868 -3.596 -7.289) 8.340 3.573 ( 1.868 3.596 -7.289) 8.340 3.910 ( -2.588 -7.807 -9.493) 12.561 3.910 ( -2.588 7.807 -9.493) 12.561 4.644 ( -7.344 -6.256 20.044) 22.245 4.644 ( -7.344 6.256 20.044) 22.245 5.347 ( 7.836 -11.121 19.163) 23.501 5.347 ( 7.836 11.121 19.163) 23.501 5.784 ( 6.771 -15.419 4.898) 17.538 5.784 ( 6.771 15.419 4.898) 17.538 6.188 ( -11.511 -12.055 -14.745) 22.254 6.188 ( -11.511 12.055 -14.745) 22.254 6.371 ( -0.275 -3.958 -8.293) 9.194 6.371 ( -0.275 3.958 -8.293) 9.194 6.522 ( -0.989 -4.139 -10.258) 11.106 6.522 ( -0.989 4.139 -10.258) 11.106 6.892 ( 0.434 -2.998 -4.219) 5.194 6.892 ( 0.434 2.998 -4.219) 5.194 7.491 ( -8.031 -2.592 -2.191) 8.718 7.491 ( -8.031 2.592 -2.191) 8.718 8.293 ( 2.618 -2.058 3.903) 5.131 8.293 ( 2.618 2.058 3.903) 5.131 8.465 ( 9.116 -5.452 -0.033) 10.622 8.465 ( 9.116 5.452 -0.033) 10.622 9.322 ( 5.671 -7.159 1.511) 9.257 9.322 ( 5.671 7.159 1.511) 9.257 10.253 ( -2.677 -2.656 -3.413) 5.086 10.253 ( -2.677 2.656 -3.413) 5.086 11.973 ( 0.998 -2.198 13.284) 13.502 11.973 ( 0.998 2.198 13.284) 13.502 12.999 ( -6.548 -11.371 -11.848) 17.679 12.999 ( -6.548 11.371 -11.848) 17.679 13.327 ( 4.584 -7.513 4.860) 10.054 13.327 ( 4.584 7.513 4.860) 10.054 13.684 ( 0.466 -13.200 -3.642) 13.701 13.684 ( 0.466 13.200 -3.642) 13.701 14.584 ( 3.072 -5.929 7.350) 9.931 14.584 ( 3.072 5.929 7.350) 9.931 14.748 ( 2.474 -4.969 1.489) 5.747 14.748 ( 2.474 4.969 1.489) 5.747 15.577 ( 0.486 -1.126 -2.008) 2.353 15.577 ( 0.486 1.126 -2.008) 2.353 15.834 ( -3.294 -0.881 0.819) 3.507 15.834 ( -3.294 0.881 0.819) 3.507 16.096 ( 1.088 -0.564 -0.238) 1.249 16.096 ( 1.088 0.564 -0.238) 1.249 16.155 ( 2.427 -1.614 -0.546) 2.965 16.155 ( 2.427 1.614 -0.546) 2.965 17.202 ( 0.080 -9.712 0.341) 9.718 17.202 ( 0.080 9.712 0.341) 9.718 17.407 ( -1.712 -6.399 -6.886) 9.555 17.407 ( -1.712 6.399 -6.886) 9.555 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -8.298 -10.307 11.499) 17.530 2.029 ( -8.298 10.307 11.499) 17.530 2.716 ( 0.162 -10.283 7.798) 12.907 2.716 ( 0.162 10.283 7.798) 12.907 2.989 ( -7.156 -2.147 -3.242) 8.144 2.989 ( -7.156 2.147 -3.242) 8.144 3.276 ( -10.033 -4.726 -5.571) 12.411 3.276 ( -10.033 4.726 -5.571) 12.411 3.658 ( 5.321 -3.095 -8.488) 10.485 3.658 ( 5.321 3.095 -8.488) 10.485 3.849 ( -3.438 -5.764 -6.785) 9.543 3.849 ( -3.438 5.764 -6.785) 9.543 4.482 ( -7.975 -1.421 11.886) 14.384 4.482 ( -7.975 1.421 11.886) 14.384 5.541 ( 8.194 -17.970 11.624) 22.917 5.541 ( 8.194 17.970 11.624) 22.917 5.897 ( -6.198 -1.898 -9.180) 11.238 5.897 ( -6.198 1.898 -9.180) 11.238 5.933 ( -0.165 -4.153 -0.815) 4.235 5.933 ( -0.165 4.153 -0.815) 4.235 6.390 ( 0.050 -6.961 -3.831) 7.946 6.390 ( 0.050 6.961 -3.831) 7.946 6.493 ( -0.596 -12.730 -4.938) 13.667 6.493 ( -0.596 12.730 -4.938) 13.667 6.866 ( -3.027 -3.604 -2.774) 5.464 6.866 ( -3.027 3.604 -2.774) 5.464 7.309 ( -10.238 -3.838 -2.743) 11.273 7.309 ( -10.238 3.838 -2.743) 11.273 8.390 ( 6.937 -2.568 5.680) 9.326 8.390 ( 6.937 2.568 5.680) 9.326 8.638 ( 7.976 -7.415 1.542) 10.999 8.638 ( 7.976 7.415 1.542) 10.999 9.462 ( 8.373 -9.496 -0.824) 12.687 9.462 ( 8.373 9.496 -0.824) 12.687 10.180 ( -4.755 -3.928 -4.441) 7.600 10.180 ( -4.755 3.928 -4.441) 7.600 12.015 ( 3.581 -2.926 9.055) 10.167 12.015 ( 3.581 2.926 9.055) 10.167 12.845 ( -9.157 -4.364 -12.595) 16.172 12.845 ( -9.157 4.364 -12.595) 16.172 13.417 ( 4.614 -8.783 5.150) 11.178 13.417 ( 4.614 8.783 5.150) 11.178 13.702 ( 1.181 -10.525 -1.357) 10.678 13.702 ( 1.181 10.525 -1.357) 10.678 14.662 ( 4.837 -7.925 8.714) 12.733 14.662 ( 4.837 7.925 8.714) 12.733 14.804 ( 2.937 -6.713 4.045) 8.370 14.804 ( 2.937 6.713 4.045) 8.370 15.596 ( 1.375 -1.092 -0.965) 2.004 15.596 ( 1.375 1.092 -0.965) 2.004 15.764 ( -3.545 -1.730 0.223) 3.951 15.764 ( -3.545 1.730 0.223) 3.951 16.122 ( 1.450 -0.714 0.549) 1.707 16.122 ( 1.450 0.714 0.549) 1.707 16.202 ( 2.109 -2.811 -0.111) 3.516 16.202 ( 2.109 2.811 -0.111) 3.516 17.205 ( 0.199 -9.529 0.167) 9.532 17.205 ( 0.199 9.529 0.167) 9.532 17.363 ( -2.715 -7.041 -5.067) 9.090 17.363 ( -2.715 7.041 -5.067) 9.090 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 3.431 -9.101 2.975) 10.171 1.979 ( 3.431 9.101 2.975) 10.171 2.644 ( -9.086 -2.901 -0.731) 9.566 2.644 ( -9.086 2.901 -0.731) 9.566 2.895 ( -1.227 -6.608 -0.962) 6.790 2.895 ( -1.227 6.608 -0.962) 6.790 3.094 ( -7.913 -4.417 -3.130) 9.588 3.094 ( -7.913 4.417 -3.130) 9.588 3.738 ( 1.919 -3.000 -3.635) 5.089 3.738 ( 1.919 3.000 -3.635) 5.089 3.790 ( -2.280 -3.612 -3.585) 5.577 3.790 ( -2.280 3.612 -3.585) 5.577 4.401 ( 1.315 -1.102 0.750) 1.873 4.401 ( 1.315 1.102 0.750) 1.873 5.376 ( -20.901 -3.591 -18.191) 27.940 5.376 ( -20.901 3.591 -18.191) 27.940 5.909 ( 8.449 -18.986 8.567) 22.477 5.909 ( 8.449 18.986 8.567) 22.477 6.090 ( 10.777 -2.713 5.047) 12.206 6.090 ( 10.777 2.713 5.047) 12.206 6.342 ( -4.363 -12.317 -1.776) 13.187 6.342 ( -4.363 12.317 -1.776) 13.187 6.504 ( 0.284 -13.618 -2.009) 13.768 6.504 ( 0.284 13.618 -2.009) 13.768 6.804 ( -2.381 -4.305 -0.767) 4.979 6.804 ( -2.381 4.305 -0.767) 4.979 7.111 ( -10.144 -5.370 -2.000) 11.651 7.111 ( -10.144 5.370 -2.000) 11.651 8.538 ( 7.942 -3.599 6.357) 10.791 8.538 ( 7.942 3.599 6.357) 10.791 8.749 ( 3.221 -7.788 4.250) 9.439 8.749 ( 3.221 7.788 4.250) 9.439 9.629 ( 8.693 -10.457 -3.407) 14.019 9.629 ( 8.693 10.457 -3.407) 14.019 10.074 ( -6.244 -5.751 -5.471) 10.099 10.074 ( -6.244 5.751 -5.471) 10.099 12.116 ( 6.808 -6.352 3.920) 10.103 12.116 ( 6.808 6.352 3.920) 10.103 12.656 ( -10.237 -2.664 -10.789) 15.109 12.656 ( -10.237 2.664 -10.789) 15.109 13.507 ( 4.836 -10.515 4.576) 12.446 13.507 ( 4.836 10.515 4.576) 12.446 13.712 ( -0.547 -8.766 0.904) 8.830 13.712 ( -0.547 8.766 0.904) 8.830 14.758 ( 4.780 -9.914 9.520) 14.552 14.758 ( 4.780 9.914 9.520) 14.552 14.851 ( 1.755 -8.757 6.171) 10.856 14.851 ( 1.755 8.757 6.171) 10.856 15.623 ( 1.278 -2.137 0.889) 2.644 15.623 ( 1.278 2.137 0.889) 2.644 15.710 ( -2.058 -2.986 0.031) 3.627 15.710 ( -2.058 2.986 0.031) 3.627 16.152 ( 1.720 -0.932 1.271) 2.332 16.152 ( 1.720 0.932 1.271) 2.332 16.228 ( 0.498 -3.108 0.370) 3.169 16.228 ( 0.498 3.108 0.370) 3.169 17.211 ( 0.542 -9.222 -0.183) 9.240 17.211 ( 0.542 9.222 -0.183) 9.240 17.309 ( -2.777 -7.677 -3.129) 8.743 17.309 ( -2.777 7.677 -3.129) 8.743 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 12.132 -5.028 -4.182) 13.783 2.139 ( 12.132 5.028 -4.182) 13.783 2.403 ( -14.294 -2.116 -6.101) 15.685 2.403 ( -14.294 2.116 -6.101) 15.685 2.916 ( 2.460 -6.869 0.174) 7.299 2.916 ( 2.460 6.869 0.174) 7.299 2.980 ( -4.282 -5.432 -0.776) 6.961 2.980 ( -4.282 5.432 -0.776) 6.961 3.740 ( -0.038 -1.783 -0.144) 1.789 3.740 ( -0.038 1.783 -0.144) 1.789 3.758 ( -1.606 -1.886 0.202) 2.485 3.758 ( -1.606 1.886 0.202) 2.485 4.566 ( 15.277 -1.629 -10.468) 18.591 4.566 ( 15.277 1.629 -10.468) 18.591 4.942 ( -22.392 -2.759 -17.032) 28.268 4.942 ( -22.392 2.759 -17.032) 28.268 6.066 ( 7.859 -12.851 3.564) 15.479 6.066 ( 7.859 12.851 3.564) 15.479 6.207 ( -5.678 -7.136 0.504) 9.133 6.207 ( -5.678 7.136 0.504) 9.133 6.330 ( 8.903 -6.448 4.457) 11.862 6.330 ( 8.903 6.448 4.457) 11.862 6.469 ( -4.414 -10.667 0.663) 11.563 6.469 ( -4.414 10.667 0.663) 11.563 6.809 ( 3.320 -1.681 -0.151) 3.724 6.809 ( 3.320 1.681 -0.151) 3.724 6.927 ( -8.459 -4.589 -0.465) 9.635 6.927 ( -8.459 4.589 -0.465) 9.635 8.677 ( 6.091 -5.013 6.534) 10.243 8.677 ( 6.091 5.013 6.534) 10.243 8.759 ( -2.090 -6.645 6.012) 9.201 8.759 ( -2.090 6.645 6.012) 9.201 9.792 ( 8.194 -9.583 -5.169) 13.627 9.792 ( 8.194 9.583 -5.169) 13.627 9.942 ( -7.371 -7.761 -5.824) 12.185 9.942 ( -7.371 7.761 -5.824) 12.185 12.271 ( 9.100 -7.485 -1.424) 11.869 12.271 ( 9.100 7.485 -1.424) 11.869 12.458 ( -10.149 -6.129 -6.608) 13.573 12.458 ( -10.149 6.129 -6.608) 13.573 13.600 ( 4.615 -10.342 3.625) 11.891 13.600 ( 4.615 10.342 3.625) 11.891 13.676 ( -3.073 -9.253 2.480) 10.060 13.676 ( -3.073 9.253 2.480) 10.060 14.834 ( 2.863 -10.802 9.046) 14.377 14.834 ( 2.863 10.802 9.046) 14.377 14.865 ( -0.374 -10.411 7.830) 13.032 14.865 ( -0.374 10.411 7.830) 13.032 15.647 ( 1.450 -3.246 1.620) 3.907 15.647 ( 1.450 3.246 1.620) 3.907 15.678 ( -1.555 -3.649 0.919) 4.071 15.678 ( -1.555 3.649 0.919) 4.071 16.188 ( 1.956 -1.537 1.408) 2.858 16.188 ( 1.956 1.537 1.408) 2.858 16.221 ( -1.198 -2.505 0.989) 2.947 16.221 ( -1.198 2.505 0.989) 2.947 17.228 ( 1.249 -8.793 -0.759) 8.914 17.228 ( 1.249 8.793 -0.759) 8.914 17.261 ( -2.138 -8.260 -1.678) 8.696 17.261 ( -2.138 8.260 -1.678) 8.696 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 0.000 23.600) 23.600 2.321 ( 0.000 0.000 -20.675) 20.675 2.373 ( 0.000 0.000 13.637) 13.637 2.634 ( 0.000 0.000 -11.905) 11.905 2.716 ( 0.000 0.000 17.383) 17.383 3.112 ( 0.000 0.000 -19.136) 19.136 3.403 ( 0.000 0.000 6.685) 6.685 3.586 ( 0.000 0.000 -9.943) 9.943 3.600 ( 0.000 0.000 4.449) 4.449 3.652 ( 0.000 0.000 -0.591) 0.591 4.032 ( 0.000 0.000 15.660) 15.660 4.276 ( 0.000 0.000 -10.000) 10.000 4.445 ( 0.000 0.000 7.956) 7.956 4.596 ( 0.000 0.000 -5.319) 5.319 5.057 ( 0.000 0.000 24.171) 24.171 5.640 ( 0.000 0.000 -21.218) 21.218 5.666 ( 0.000 0.000 19.253) 19.253 5.681 ( 0.000 0.000 16.680) 16.680 5.814 ( 0.000 0.000 10.621) 10.621 6.181 ( 0.000 0.000 -16.780) 16.780 6.186 ( 0.000 0.000 -14.444) 14.444 6.225 ( 0.000 0.000 -18.692) 18.692 7.003 ( 0.000 0.000 1.176) 1.176 7.010 ( 0.000 0.000 -0.392) 0.392 7.124 ( 0.000 0.000 -1.076) 1.076 7.128 ( 0.000 0.000 -1.620) 1.620 7.623 ( 0.000 0.000 -0.485) 0.485 7.654 ( 0.000 0.000 -3.354) 3.354 7.873 ( 0.000 0.000 2.764) 2.764 7.898 ( 0.000 0.000 0.404) 0.404 8.078 ( 0.000 0.000 0.685) 0.685 8.108 ( 0.000 0.000 -2.895) 2.895 9.224 ( 0.000 0.000 9.365) 9.365 9.376 ( 0.000 0.000 -5.786) 5.786 10.373 ( 0.000 0.000 0.910) 0.910 10.387 ( 0.000 0.000 -0.268) 0.268 11.722 ( 0.000 0.000 12.951) 12.951 12.004 ( 0.000 0.000 -13.931) 13.931 12.388 ( 0.000 0.000 21.138) 21.138 12.839 ( 0.000 0.000 -21.550) 21.550 13.278 ( 0.000 0.000 7.677) 7.677 13.466 ( 0.000 0.000 -9.827) 9.827 13.708 ( 0.000 0.000 13.203) 13.203 13.857 ( 0.000 0.000 -0.211) 0.211 14.435 ( 0.000 0.000 -1.201) 1.201 14.505 ( 0.000 0.000 -6.776) 6.776 15.217 ( 0.000 0.000 7.277) 7.277 15.320 ( 0.000 0.000 -2.019) 2.019 15.473 ( 0.000 0.000 0.775) 0.775 15.486 ( 0.000 0.000 -0.642) 0.642 15.980 ( 0.000 0.000 -0.759) 0.759 15.993 ( 0.000 0.000 -1.683) 1.683 16.062 ( 0.000 0.000 -0.059) 0.059 16.066 ( 0.000 0.000 -0.381) 0.381 16.181 ( 0.000 0.000 5.283) 5.283 16.334 ( 0.000 0.000 -8.639) 8.639 16.789 ( 0.000 0.000 0.372) 0.372 16.800 ( 0.000 0.000 -0.719) 0.719 17.598 ( 0.000 0.000 0.306) 0.306 17.605 ( 0.000 0.000 -0.322) 0.322 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 9.416 0.000 22.413) 24.311 2.244 ( -14.167 0.000 16.912) 22.062 2.390 ( 6.798 0.000 -19.207) 20.375 2.412 ( -10.791 0.000 -0.660) 10.812 2.847 ( 3.747 0.000 2.629) 4.578 3.094 ( -3.231 0.000 -18.786) 19.062 3.389 ( -1.448 0.000 6.077) 6.247 3.527 ( -5.734 0.000 5.603) 8.017 3.562 ( -2.445 0.000 -9.559) 9.867 3.623 ( -2.029 0.000 -3.308) 3.881 4.098 ( 5.670 0.000 12.227) 13.478 4.277 ( -0.360 0.000 -7.124) 7.133 4.391 ( -5.239 0.000 7.701) 9.314 4.546 ( -5.193 0.000 -5.874) 7.840 4.980 ( -7.135 0.000 27.086) 28.010 5.241 ( -22.130 0.000 24.389) 32.933 5.593 ( -5.032 0.000 -24.198) 24.716 5.756 ( -14.195 0.000 -22.690) 26.765 5.806 ( -0.888 0.000 10.143) 10.182 6.122 ( -4.732 0.000 -14.824) 15.561 6.214 ( 17.163 0.000 13.724) 21.975 6.500 ( 13.971 0.000 -11.880) 18.339 7.008 ( 0.031 0.000 0.904) 0.905 7.024 ( -8.329 0.000 -1.387) 8.444 7.024 ( 1.177 0.000 -0.317) 1.219 7.034 ( -9.058 0.000 -2.179) 9.317 7.550 ( -6.407 0.000 -0.570) 6.432 7.575 ( -6.478 0.000 -2.477) 6.935 7.934 ( 5.470 0.000 2.822) 6.155 7.963 ( 5.869 0.000 -0.035) 5.869 8.196 ( 11.779 0.000 3.378) 12.253 8.282 ( 14.647 0.000 -5.199) 15.542 9.246 ( 2.040 0.000 10.381) 10.580 9.421 ( 4.126 0.000 -6.965) 8.096 10.357 ( -1.335 0.000 1.702) 2.162 10.386 ( -0.135 0.000 -0.943) 0.952 11.760 ( 3.823 0.000 11.489) 12.108 12.021 ( 1.671 0.000 -13.329) 13.433 12.234 ( -12.811 0.000 18.098) 22.173 12.635 ( -16.616 0.000 -20.528) 26.410 13.450 ( 15.428 0.000 10.743) 18.800 13.670 ( 15.729 0.000 -10.386) 18.849 13.687 ( -1.358 0.000 14.063) 14.128 13.880 ( 1.977 0.000 -2.994) 3.588 14.411 ( -2.360 0.000 0.183) 2.367 14.495 ( -1.133 0.000 -5.920) 6.028 15.265 ( 4.629 0.000 7.007) 8.398 15.358 ( 3.758 0.000 -1.481) 4.040 15.476 ( 0.360 0.000 0.769) 0.850 15.488 ( 0.251 0.000 -0.553) 0.607 15.910 ( -4.793 0.000 0.961) 4.888 15.952 ( -4.152 0.000 -3.132) 5.201 16.063 ( 0.142 0.000 0.271) 0.306 16.072 ( 0.613 0.000 -0.613) 0.867 16.234 ( 4.160 0.000 5.492) 6.890 16.385 ( 3.917 0.000 -8.700) 9.541 16.789 ( 0.065 0.000 0.599) 0.602 16.804 ( 0.402 0.000 -0.836) 0.928 17.598 ( 0.003 0.000 0.333) 0.333 17.605 ( 0.039 0.000 -0.344) 0.347 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -13.271 0.000 20.024) 24.023 2.194 ( 14.972 0.000 19.408) 24.512 2.229 ( -8.694 0.000 -7.268) 11.332 2.562 ( 10.425 0.000 -15.068) 18.322 2.835 ( -5.314 0.000 -0.968) 5.401 2.925 ( -13.800 0.000 -10.696) 17.460 3.347 ( -2.877 0.000 4.190) 5.082 3.454 ( -1.006 0.000 6.921) 6.993 3.492 ( -4.742 0.000 -8.550) 9.777 3.621 ( 1.900 0.000 -8.069) 8.290 4.197 ( 2.550 0.000 3.850) 4.618 4.256 ( -0.177 0.000 -1.054) 1.069 4.261 ( -7.888 0.000 6.320) 10.108 4.401 ( -9.529 0.000 -6.316) 11.432 4.822 ( -8.507 0.000 27.758) 29.033 4.868 ( -15.577 0.000 24.671) 29.178 5.430 ( -11.956 0.000 -28.791) 31.175 5.433 ( -17.352 0.000 -29.083) 33.866 5.807 ( 2.156 0.000 12.115) 12.305 6.056 ( -1.538 0.000 -11.267) 11.371 6.519 ( 8.502 0.000 12.150) 14.829 6.666 ( 2.175 0.000 -1.691) 2.755 6.831 ( -9.608 0.000 -0.026) 9.608 6.931 ( 2.821 0.000 -7.516) 8.028 6.972 ( -4.707 0.000 1.052) 4.823 7.017 ( -3.502 0.000 -2.407) 4.249 7.429 ( -4.328 0.000 1.521) 4.587 7.468 ( -3.581 0.000 -1.593) 3.919 8.051 ( 6.124 0.000 2.814) 6.740 8.085 ( 6.133 0.000 -0.498) 6.153 8.471 ( 15.532 0.000 5.981) 16.644 8.602 ( 17.507 0.000 -6.801) 18.781 9.286 ( 1.525 0.000 11.939) 12.036 9.501 ( 3.136 0.000 -9.074) 9.601 10.334 ( -0.632 0.000 2.916) 2.984 10.385 ( 0.120 0.000 -1.765) 1.769 11.856 ( 5.681 0.000 7.761) 9.618 11.989 ( -11.344 0.000 13.282) 17.467 12.059 ( 1.954 0.000 -11.456) 11.622 12.307 ( -16.357 0.000 -17.362) 23.854 13.685 ( 1.628 0.000 14.682) 14.771 13.772 ( 16.367 0.000 10.706) 19.558 13.926 ( 2.969 0.000 -6.975) 7.581 13.961 ( 13.336 0.000 -7.529) 15.314 14.344 ( -4.612 0.000 3.492) 5.784 14.458 ( -2.766 0.000 -5.529) 6.182 15.373 ( 5.888 0.000 6.754) 8.960 15.450 ( 5.259 0.000 -0.438) 5.277 15.490 ( 1.078 0.000 0.649) 1.259 15.497 ( 0.744 0.000 -0.235) 0.780 15.834 ( -2.523 0.000 1.466) 2.918 15.878 ( -2.819 0.000 -2.552) 3.802 16.069 ( 0.534 0.000 0.946) 1.087 16.088 ( 0.938 0.000 -0.801) 1.233 16.306 ( 3.031 0.000 5.153) 5.978 16.446 ( 1.931 0.000 -8.101) 8.328 16.791 ( 0.044 0.000 0.970) 0.971 16.812 ( 0.301 0.000 -1.039) 1.081 17.598 ( 0.030 0.000 0.359) 0.360 17.606 ( 0.013 0.000 -0.366) 0.366 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.134 0.000 14.240) 14.241 2.104 ( -3.584 0.000 -12.347) 12.857 2.496 ( 15.568 0.000 15.319) 21.841 2.607 ( -16.120 0.000 -1.423) 16.182 2.670 ( -12.502 0.000 -5.822) 13.791 2.760 ( 9.231 0.000 -8.461) 12.522 3.283 ( -3.531 0.000 0.973) 3.663 3.386 ( -5.911 0.000 -7.311) 9.402 3.484 ( 3.373 0.000 8.090) 8.765 3.649 ( -0.142 0.000 -7.109) 7.110 4.104 ( -7.771 0.000 3.940) 8.712 4.187 ( -0.069 0.000 5.406) 5.407 4.199 ( -10.637 0.000 -4.848) 11.690 4.306 ( 2.553 0.000 -6.203) 6.708 4.673 ( -4.360 0.000 17.361) 17.900 4.683 ( -4.848 0.000 22.327) 22.847 5.115 ( -15.262 0.000 -24.681) 29.019 5.161 ( -14.925 0.000 -23.679) 27.990 5.899 ( 6.858 0.000 8.512) 10.931 6.059 ( 1.466 0.000 -6.980) 7.133 6.446 ( -7.879 0.000 4.170) 8.914 6.553 ( -10.647 0.000 -6.253) 12.347 6.825 ( -9.506 0.000 0.018) 9.506 6.869 ( -10.539 0.000 -3.673) 11.161 6.905 ( 10.450 0.000 8.690) 13.591 7.048 ( 5.899 0.000 -4.949) 7.700 7.414 ( 1.754 0.000 2.726) 3.241 7.446 ( 0.622 0.000 -0.138) 0.637 8.156 ( 4.588 0.000 2.366) 5.163 8.184 ( 3.938 0.000 -0.331) 3.952 8.763 ( 14.314 0.000 8.165) 16.479 8.926 ( 15.688 0.000 -7.569) 17.419 9.283 ( -2.129 0.000 12.173) 12.357 9.511 ( -2.467 0.000 -9.920) 10.222 10.342 ( 1.434 0.000 2.958) 3.287 10.392 ( 0.498 0.000 -1.643) 1.717 11.822 ( -5.722 0.000 7.621) 9.530 11.963 ( 5.039 0.000 3.179) 5.957 12.029 ( -12.190 0.000 -12.369) 17.366 12.086 ( 0.703 0.000 -8.463) 8.492 13.758 ( 5.916 0.000 14.027) 15.223 14.004 ( 5.133 0.000 -8.101) 9.591 14.045 ( 11.470 0.000 8.165) 14.080 14.162 ( 7.364 0.000 -3.250) 8.049 14.233 ( -6.868 0.000 6.407) 9.392 14.385 ( -4.914 0.000 -6.540) 8.180 15.469 ( 3.772 0.000 6.035) 7.117 15.515 ( 1.398 0.000 0.577) 1.512 15.518 ( 1.348 0.000 0.257) 1.372 15.531 ( 2.451 0.000 0.410) 2.485 15.825 ( 1.524 0.000 1.886) 2.425 15.856 ( 0.553 0.000 -0.943) 1.093 16.083 ( 0.866 0.000 1.490) 1.723 16.104 ( 0.635 0.000 -0.448) 0.777 16.349 ( 1.539 0.000 3.695) 4.003 16.453 ( -1.016 0.000 -6.231) 6.313 16.792 ( 0.131 0.000 0.952) 0.961 16.813 ( -0.166 0.000 -1.027) 1.041 17.599 ( 0.078 0.000 0.290) 0.301 17.606 ( -0.065 0.000 -0.309) 0.315 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 10.047 0.000 1.502) 10.159 2.076 ( -2.288 0.000 -13.309) 13.504 2.348 ( -7.182 0.000 3.495) 7.987 2.425 ( -11.389 0.000 -3.965) 12.060 2.760 ( 10.853 0.000 10.214) 14.904 2.869 ( 0.482 0.000 1.620) 1.690 3.236 ( -0.325 0.000 -4.189) 4.202 3.282 ( -4.452 0.000 -6.763) 8.097 3.553 ( 3.407 0.000 4.124) 5.349 3.614 ( -2.876 0.000 -1.561) 3.272 3.994 ( -2.642 0.000 0.921) 2.798 4.028 ( -6.079 0.000 -2.178) 6.458 4.227 ( 3.738 0.000 5.867) 6.956 4.303 ( -3.039 0.000 0.235) 3.048 4.689 ( 5.416 0.000 3.605) 6.506 4.690 ( 6.218 0.000 3.549) 7.160 4.856 ( -11.413 0.000 -12.149) 16.669 4.886 ( -12.997 0.000 -13.416) 18.679 6.035 ( 6.017 0.000 3.269) 6.848 6.088 ( 0.508 0.000 -1.998) 2.062 6.344 ( -1.894 0.000 -0.695) 2.017 6.385 ( -5.966 0.000 -4.542) 7.499 6.667 ( -5.063 0.000 -1.686) 5.336 6.684 ( -6.742 0.000 -3.140) 7.438 7.064 ( 5.556 0.000 4.565) 7.191 7.113 ( 0.531 0.000 -0.108) 0.542 7.452 ( 1.515 0.000 2.150) 2.630 7.462 ( 0.473 0.000 1.251) 1.338 8.222 ( 2.058 0.000 1.464) 2.525 8.232 ( 0.974 0.000 0.430) 1.065 9.009 ( 11.045 0.000 9.877) 14.818 9.162 ( 0.719 0.000 3.663) 3.733 9.232 ( 4.670 0.000 -0.691) 4.721 9.407 ( -8.031 0.000 -9.206) 12.217 10.377 ( 1.683 0.000 1.446) 2.219 10.396 ( -0.274 0.000 -0.364) 0.456 11.773 ( 0.662 0.000 1.047) 1.239 11.845 ( -6.751 0.000 -5.927) 8.983 12.042 ( 3.111 0.000 -1.135) 3.311 12.082 ( -1.127 0.000 -4.937) 5.064 13.902 ( 8.607 0.000 12.624) 15.279 14.066 ( -6.544 0.000 10.080) 12.017 14.139 ( 4.922 0.000 -8.738) 10.029 14.204 ( 5.112 0.000 4.623) 6.893 14.243 ( 1.084 0.000 0.860) 1.383 14.270 ( -6.828 0.000 -8.075) 10.575 15.521 ( 1.825 0.000 4.056) 4.448 15.538 ( 0.798 0.000 0.778) 1.114 15.540 ( 0.643 0.000 0.604) 0.882 15.545 ( -0.573 0.000 1.883) 1.969 15.868 ( 1.937 0.000 1.964) 2.758 15.878 ( 0.848 0.000 1.094) 1.384 16.100 ( 0.759 0.000 1.325) 1.527 16.109 ( -0.145 0.000 0.463) 0.485 16.377 ( 1.667 0.000 0.635) 1.784 16.417 ( -2.356 0.000 -3.166) 3.946 16.797 ( 0.408 0.000 0.320) 0.519 16.806 ( -0.500 0.000 -0.531) 0.729 17.601 ( 0.126 0.000 0.101) 0.161 17.604 ( -0.127 0.000 -0.136) 0.186 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.000 18.574 18.604) 26.289 2.416 ( 0.000 5.979 3.070) 6.721 2.486 ( 0.000 11.461 -5.525) 12.723 2.683 ( 0.000 4.494 -10.615) 11.527 2.765 ( 0.000 4.605 14.854) 15.552 3.126 ( 0.000 1.184 -17.325) 17.365 3.446 ( 0.000 2.867 6.093) 6.734 3.522 ( 0.000 -6.807 2.429) 7.227 3.555 ( 0.000 -8.058 -0.471) 8.072 3.617 ( 0.000 1.603 -9.123) 9.263 3.905 ( 0.000 -8.857 10.880) 14.030 4.123 ( 0.000 -9.718 -10.599) 14.380 4.658 ( 0.000 17.111 14.662) 22.534 4.872 ( 0.000 20.973 -6.201) 21.870 5.098 ( 0.000 4.667 22.843) 23.315 5.614 ( 0.000 -4.231 12.340) 13.045 5.672 ( 0.000 0.554 18.545) 18.554 5.684 ( 0.000 2.229 -15.855) 16.011 5.804 ( 0.000 -0.906 11.786) 11.820 6.169 ( 0.000 -1.369 -16.729) 16.785 6.172 ( 0.000 -1.157 -15.104) 15.148 6.176 ( 0.000 -3.936 -18.403) 18.819 6.843 ( 0.000 -12.061 -0.240) 12.064 6.851 ( 0.000 -11.048 -1.712) 11.179 7.068 ( 0.000 -6.116 2.030) 6.444 7.121 ( 0.000 -3.183 -2.926) 4.323 7.640 ( 0.000 -3.344 -0.834) 3.446 7.656 ( 0.000 -1.455 -2.310) 2.730 7.927 ( 0.000 8.803 2.293) 9.097 7.958 ( 0.000 8.274 -0.819) 8.314 8.186 ( 0.000 7.580 0.895) 7.632 8.204 ( 0.000 6.735 -1.532) 6.907 9.237 ( 0.000 1.153 8.195) 8.276 9.367 ( 0.000 -0.802 -4.833) 4.899 10.336 ( 0.000 -3.176 1.092) 3.358 10.361 ( 0.000 -2.428 -1.126) 2.676 11.833 ( 0.000 9.962 13.314) 16.628 12.115 ( 0.000 10.258 -13.212) 16.727 12.399 ( 0.000 0.836 20.683) 20.700 12.854 ( 0.000 1.179 -22.355) 22.386 13.295 ( 0.000 1.588 7.965) 8.122 13.459 ( 0.000 -0.743 -7.320) 7.357 13.673 ( 0.000 -3.366 11.244) 11.737 13.823 ( 0.000 -3.202 -3.038) 4.414 14.449 ( 0.000 1.507 0.029) 1.507 14.515 ( 0.000 1.223 -5.547) 5.680 15.127 ( 0.000 -8.086 6.450) 10.343 15.208 ( 0.000 -9.486 -0.918) 9.530 15.495 ( 0.000 1.448 0.287) 1.476 15.503 ( 0.000 1.330 -0.647) 1.479 15.963 ( 0.000 -1.605 -0.621) 1.721 15.971 ( 0.000 -1.986 -1.039) 2.242 16.064 ( 0.000 0.134 -0.029) 0.137 16.069 ( 0.000 0.214 -0.484) 0.529 16.157 ( 0.000 -1.787 3.334) 3.782 16.255 ( 0.000 -5.652 -5.073) 7.595 16.857 ( 0.000 5.994 1.256) 6.124 16.902 ( 0.000 8.082 -3.454) 8.790 17.557 ( 0.000 -4.398 0.050) 4.398 17.562 ( 0.000 -3.352 -0.488) 3.387 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 6.722 16.316 17.900) 25.135 2.308 ( -14.420 5.889 15.071) 21.674 2.426 ( -8.826 2.559 0.209) 9.191 2.535 ( 2.278 10.947 -14.857) 18.594 2.897 ( 3.295 4.418 2.274) 5.962 3.117 ( -3.072 2.086 -16.994) 17.395 3.420 ( -2.371 -0.289 4.652) 5.229 3.465 ( -3.923 -3.453 4.430) 6.851 3.528 ( -1.587 -6.799 -3.924) 8.009 3.587 ( -3.287 -0.064 -7.194) 7.909 3.922 ( 1.165 -10.634 8.343) 13.567 4.100 ( -2.681 -10.450 -8.955) 14.021 4.666 ( 0.270 20.541 12.193) 23.889 4.848 ( -2.933 21.828 -5.368) 22.669 5.002 ( -8.253 2.546 25.822) 27.228 5.235 ( -20.997 -0.687 24.187) 32.037 5.614 ( -5.802 1.832 -25.718) 26.428 5.736 ( -13.019 -0.936 -16.426) 20.980 5.827 ( 0.527 1.347 6.311) 6.475 6.104 ( 0.781 -2.095 -6.968) 7.318 6.187 ( 12.153 -1.924 6.677) 13.999 6.456 ( 13.244 -4.002 -11.883) 18.238 6.810 ( -3.028 -11.261 -0.384) 11.667 6.841 ( -2.207 -10.659 -2.883) 11.260 7.045 ( -1.725 -4.039 2.249) 4.934 7.094 ( -2.466 -0.979 -2.440) 3.605 7.525 ( -8.501 -4.091 -0.789) 9.467 7.539 ( -8.951 -1.678 -2.399) 9.417 8.027 ( 6.799 8.531 2.763) 11.254 8.063 ( 7.375 8.828 -0.677) 11.523 8.258 ( 9.137 5.024 3.921) 11.140 8.346 ( 12.686 5.046 -4.848) 14.488 9.260 ( 2.171 1.314 9.267) 9.608 9.416 ( 4.436 -0.541 -6.115) 7.574 10.317 ( -1.830 -3.559 1.635) 4.323 10.353 ( -0.808 -3.023 -1.633) 3.530 11.866 ( 3.306 9.436 11.898) 15.541 12.122 ( 0.340 9.180 -10.853) 14.218 12.268 ( -10.519 3.112 15.962) 19.368 12.666 ( -15.395 2.653 -20.641) 25.887 13.447 ( 13.247 -0.256 9.522) 16.316 13.564 ( 4.044 -5.478 3.303) 7.568 13.727 ( 8.295 -1.135 1.608) 8.525 13.845 ( 2.323 -3.040 -5.393) 6.612 14.437 ( -1.108 2.562 1.195) 3.036 14.511 ( -0.481 1.838 -4.755) 5.121 15.176 ( 4.685 -7.943 6.148) 11.083 15.246 ( 3.734 -9.309 -0.343) 10.036 15.500 ( 0.652 1.498 0.200) 1.646 15.505 ( 0.374 1.356 -0.480) 1.486 15.895 ( -4.677 -1.272 0.860) 4.923 15.930 ( -4.082 -1.916 -2.430) 5.122 16.067 ( 0.361 0.353 0.248) 0.562 16.076 ( 0.728 0.326 -0.638) 1.021 16.206 ( 3.916 -2.214 3.913) 5.962 16.309 ( 4.168 -5.528 -5.512) 8.849 16.858 ( 0.088 5.951 1.279) 6.088 16.901 ( -0.098 7.775 -3.208) 8.412 17.557 ( -0.040 -4.352 0.043) 4.352 17.562 ( -0.049 -3.511 -0.454) 3.541 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -13.711 4.604 18.219) 23.262 2.244 ( -9.091 1.269 -5.620) 10.763 2.342 ( 11.095 11.992 16.245) 23.040 2.646 ( 7.203 6.921 -11.462) 15.204 2.863 ( -6.606 2.435 -2.320) 7.412 2.931 ( -14.922 0.354 -9.045) 17.453 3.385 ( -3.882 1.333 2.606) 4.862 3.418 ( 1.887 -2.458 4.837) 5.744 3.484 ( -5.838 -1.601 -5.566) 8.223 3.563 ( 3.717 -4.714 -7.144) 9.331 3.931 ( -0.229 -11.635 3.184) 12.065 4.018 ( -5.342 -10.721 -4.845) 12.921 4.599 ( -8.911 16.798 8.290) 20.744 4.740 ( -8.385 18.203 0.079) 20.042 4.836 ( -11.717 4.853 18.249) 22.223 4.927 ( -5.574 6.202 23.286) 24.734 5.402 ( -16.311 -0.042 -26.985) 31.532 5.494 ( -8.626 3.934 -25.412) 27.123 5.854 ( 2.655 4.050 10.599) 11.653 6.076 ( -0.757 1.889 -9.667) 9.879 6.462 ( 7.308 -5.147 11.804) 14.806 6.610 ( 3.379 -5.273 -0.899) 6.327 6.739 ( -6.284 -7.195 -1.896) 9.739 6.808 ( 4.781 -6.973 -5.298) 9.978 7.008 ( -3.981 -1.552 -0.113) 4.275 7.026 ( -4.373 -0.334 -1.388) 4.600 7.374 ( -5.930 -5.195 0.025) 7.884 7.395 ( -4.709 -5.366 -1.528) 7.301 8.151 ( 6.024 8.518 2.950) 10.841 8.189 ( 5.774 8.911 -0.639) 10.638 8.502 ( 14.581 2.633 6.381) 16.132 8.638 ( 16.337 2.765 -6.746) 17.890 9.304 ( 1.799 1.785 10.959) 11.248 9.504 ( 3.755 0.289 -8.575) 9.365 10.278 ( -1.761 -4.981 2.712) 5.938 10.335 ( -0.959 -4.510 -2.497) 5.243 11.948 ( 4.485 7.959 8.585) 12.537 12.033 ( -8.512 4.811 11.908) 15.408 12.169 ( 0.408 9.110 -10.120) 13.622 12.362 ( -15.092 4.866 -17.212) 23.403 13.595 ( 2.044 -6.558 12.048) 13.869 13.706 ( 10.842 -5.151 4.761) 12.913 13.881 ( 5.645 -4.722 -0.745) 7.397 13.962 ( 9.245 -1.775 -6.817) 11.623 14.412 ( -1.209 5.979 3.288) 6.929 14.497 ( -0.844 4.055 -3.892) 5.684 15.283 ( 5.704 -7.832 5.757) 11.271 15.336 ( 4.955 -8.922 0.643) 10.226 15.520 ( 1.264 1.644 0.326) 2.099 15.526 ( 1.822 1.786 -0.056) 2.552 15.818 ( -2.856 -1.400 1.294) 3.434 15.856 ( -3.005 -1.905 -2.144) 4.154 16.078 ( 0.844 0.831 0.840) 1.452 16.095 ( 1.135 0.621 -0.704) 1.472 16.276 ( 3.028 -2.493 3.947) 5.564 16.377 ( 2.504 -5.163 -5.559) 7.989 16.859 ( -0.016 5.861 1.260) 5.995 16.897 ( -0.373 7.036 -2.587) 7.506 17.556 ( -0.105 -4.287 0.044) 4.288 17.560 ( -0.109 -3.919 -0.386) 3.940 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -0.973 3.593 13.233) 13.747 2.112 ( -3.750 0.673 -10.463) 11.135 2.537 ( 0.713 2.024 10.049) 10.276 2.640 ( -6.381 3.156 -0.656) 7.149 2.654 ( -11.256 -0.434 -3.213) 11.713 2.801 ( 5.773 3.277 -7.863) 10.291 3.301 ( -4.389 -0.951 0.417) 4.510 3.360 ( -6.325 -3.763 -4.176) 8.462 3.496 ( 5.212 1.845 6.176) 8.289 3.634 ( 2.256 -1.021 -5.893) 6.392 3.917 ( -3.482 -9.468 -0.348) 10.094 3.921 ( -1.864 -9.404 -1.222) 9.664 4.400 ( -9.173 6.669 7.984) 13.869 4.560 ( -7.403 8.197 5.573) 12.372 4.609 ( -11.122 6.313 1.975) 12.941 4.890 ( -4.198 8.004 -0.199) 9.040 5.128 ( -8.649 9.763 -8.745) 15.703 5.346 ( -6.972 13.434 -17.762) 23.337 5.941 ( 6.094 3.801 7.715) 10.541 6.081 ( 0.973 2.192 -5.840) 6.314 6.409 ( -5.260 -3.350 4.972) 7.976 6.533 ( -8.149 -2.176 -7.037) 10.985 6.784 ( -5.165 -3.407 1.103) 6.286 6.821 ( -7.200 -2.654 -2.420) 8.046 6.887 ( 3.854 -2.542 6.951) 8.345 7.025 ( 4.592 -3.597 -4.907) 7.622 7.331 ( 0.488 -7.413 2.072) 7.712 7.356 ( -0.253 -7.882 -0.132) 7.887 8.255 ( 4.550 8.584 2.425) 10.013 8.283 ( 3.816 8.730 -0.237) 9.530 8.780 ( 13.633 1.186 8.251) 15.979 8.940 ( 14.315 0.533 -6.905) 15.902 9.311 ( -1.205 2.994 10.895) 11.363 9.528 ( -1.759 1.674 -9.865) 10.160 10.263 ( 0.299 -7.083 2.705) 7.588 10.319 ( -0.691 -6.488 -2.515) 6.993 11.893 ( -4.260 6.510 8.292) 11.371 12.048 ( 4.354 7.338 3.660) 9.284 12.107 ( -10.926 6.981 -12.051) 17.702 12.178 ( 0.005 7.943 -8.778) 11.838 13.664 ( 5.205 -7.173 12.055) 14.962 13.847 ( 4.762 -9.944 -2.989) 11.423 13.987 ( 3.780 -5.703 4.180) 8.018 14.089 ( 3.335 -5.709 -3.578) 7.517 14.406 ( 0.941 10.828 3.913) 11.552 14.484 ( -0.516 8.163 -2.963) 8.699 15.378 ( 4.093 -7.561 5.109) 10.001 15.419 ( 3.378 -8.152 1.133) 8.896 15.545 ( 1.121 1.885 1.122) 2.464 15.558 ( 1.011 1.747 0.240) 2.033 15.799 ( 0.930 -2.204 1.617) 2.887 15.828 ( 0.123 -2.372 -1.015) 2.583 16.098 ( 1.163 1.310 1.317) 2.192 16.116 ( 0.915 0.999 -0.288) 1.385 16.319 ( 1.618 -2.439 2.982) 4.178 16.399 ( -0.192 -4.274 -4.526) 6.228 16.858 ( 0.002 5.746 0.971) 5.828 16.887 ( -0.683 6.270 -1.792) 6.556 17.554 ( -0.096 -4.372 0.042) 4.373 17.557 ( -0.162 -4.309 -0.307) 4.322 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 9.361 2.147 1.779) 9.767 2.089 ( -1.601 1.176 -12.026) 12.189 2.327 ( -7.594 -1.749 3.385) 8.496 2.403 ( -11.477 -1.914 -4.006) 12.306 2.791 ( 8.266 2.425 7.437) 11.381 2.875 ( 0.298 0.553 0.674) 0.922 3.236 ( -1.497 -2.284 -2.932) 4.007 3.260 ( -3.634 -3.680 -4.265) 6.704 3.586 ( 3.673 3.100 3.969) 6.234 3.636 ( -1.564 1.930 -0.627) 2.562 3.865 ( -0.674 -7.249 1.672) 7.470 3.889 ( -2.324 -6.053 -0.056) 6.484 4.309 ( 0.353 2.974 0.853) 3.114 4.398 ( -8.167 7.400 -6.569) 12.830 4.545 ( 4.163 -2.716 2.189) 5.431 4.705 ( -11.239 -3.129 -12.325) 16.971 5.117 ( 4.098 23.892 3.973) 24.564 5.220 ( -6.128 21.605 -6.052) 23.259 6.053 ( 4.270 1.793 2.430) 5.230 6.093 ( -0.306 0.905 -1.670) 1.924 6.373 ( 1.973 1.869 0.558) 2.774 6.425 ( -2.734 3.086 -4.286) 5.947 6.617 ( -7.269 -4.566 -2.060) 8.828 6.624 ( -8.130 -3.369 -2.603) 9.178 7.037 ( 6.060 -3.158 4.454) 8.157 7.089 ( 0.725 -2.861 -0.533) 3.000 7.349 ( 0.824 -9.437 2.067) 9.696 7.357 ( -0.021 -9.710 1.336) 9.802 8.319 ( 2.044 8.745 1.523) 9.109 8.330 ( 0.982 8.778 0.535) 8.849 9.012 ( 10.111 -0.367 9.369) 13.789 9.128 ( 1.292 -3.182 2.850) 4.463 9.301 ( 3.932 6.241 -0.237) 7.380 9.438 ( -7.074 3.305 -8.898) 11.838 10.282 ( 1.337 -8.398 0.884) 8.550 10.305 ( -0.910 -8.103 -1.209) 8.243 11.865 ( 1.262 8.094 1.914) 8.412 11.938 ( -6.307 8.180 -4.979) 11.467 12.122 ( 3.024 6.929 -1.339) 7.678 12.165 ( -1.436 7.124 -5.226) 8.952 13.783 ( 6.638 -8.879 10.195) 15.061 13.883 ( -2.291 -11.690 4.341) 12.679 14.031 ( 2.877 -5.696 -1.426) 6.539 14.094 ( -2.358 -7.304 -3.789) 8.559 14.442 ( 2.192 12.253 2.429) 12.682 14.473 ( -0.893 11.182 -0.407) 11.225 15.439 ( 2.197 -7.303 3.979) 8.602 15.457 ( 0.497 -7.619 2.269) 7.965 15.559 ( 0.369 1.724 0.949) 2.002 15.563 ( -0.142 1.779 0.604) 1.884 15.832 ( 1.597 -2.987 1.616) 3.753 15.841 ( 0.560 -2.910 0.681) 3.041 16.119 ( 0.848 1.611 1.247) 2.207 16.126 ( 0.132 1.446 0.574) 1.561 16.346 ( 1.442 -2.523 0.653) 2.979 16.378 ( -1.678 -3.199 -2.307) 4.286 16.861 ( 0.380 5.660 0.205) 5.676 16.873 ( -0.728 5.789 -0.842) 5.895 17.553 ( 0.018 -4.513 -0.038) 4.513 17.554 ( -0.136 -4.516 -0.182) 4.522 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 0.000 14.219 11.906) 18.546 2.553 ( 0.000 6.241 8.055) 10.190 2.763 ( 0.000 12.671 1.813) 12.800 2.818 ( 0.000 7.883 -6.201) 10.029 2.900 ( 0.000 6.971 3.990) 8.032 3.128 ( 0.000 -2.427 -9.073) 9.392 3.358 ( 0.000 -6.929 -2.833) 7.486 3.363 ( 0.000 -7.786 -1.612) 7.951 3.493 ( 0.000 0.716 3.616) 3.686 3.606 ( 0.000 -2.892 -5.621) 6.321 3.744 ( 0.000 -4.621 4.163) 6.219 3.917 ( 0.000 -9.301 -10.652) 14.141 5.024 ( 0.000 13.566 28.552) 31.611 5.341 ( 0.000 19.672 10.001) 22.068 5.381 ( 0.000 23.557 -5.640) 24.223 5.473 ( 0.000 -8.340 23.961) 25.371 5.689 ( 0.000 1.050 17.154) 17.186 5.763 ( 0.000 2.574 -25.496) 25.626 5.797 ( 0.000 3.522 14.879) 15.290 6.053 ( 0.000 -6.358 -21.167) 22.102 6.149 ( 0.000 -0.567 -15.264) 15.274 6.157 ( 0.000 -0.067 -13.986) 13.986 6.541 ( 0.000 -16.401 0.719) 16.417 6.591 ( 0.000 -13.796 -4.620) 14.549 6.902 ( 0.000 -7.566 2.049) 7.838 6.971 ( 0.000 -9.644 -4.168) 10.506 7.564 ( 0.000 -2.324 0.429) 2.363 7.591 ( 0.000 -2.945 -2.039) 3.582 8.166 ( 0.000 10.645 0.861) 10.680 8.177 ( 0.000 9.736 -0.309) 9.741 8.329 ( 0.000 4.942 0.684) 4.989 8.330 ( 0.000 4.300 0.143) 4.302 9.270 ( 0.000 1.835 5.173) 5.489 9.343 ( 0.000 -1.413 -2.173) 2.592 10.260 ( 0.000 -3.253 0.495) 3.291 10.290 ( 0.000 -3.832 -2.234) 4.436 12.098 ( 0.000 13.310 15.580) 20.491 12.390 ( 0.000 5.203 14.146) 15.072 12.429 ( 0.000 10.537 -7.623) 13.005 12.865 ( 0.000 -1.141 -23.080) 23.108 13.346 ( 0.000 2.995 6.934) 7.553 13.430 ( 0.000 -1.945 -0.838) 2.118 13.577 ( 0.000 -4.433 6.192) 7.615 13.719 ( 0.000 -6.437 -7.897) 10.188 14.512 ( 0.000 4.825 2.428) 5.402 14.572 ( 0.000 4.474 -3.049) 5.414 14.904 ( 0.000 -11.882 5.056) 12.913 14.960 ( 0.000 -12.651 -0.021) 12.651 15.524 ( 0.000 1.229 -0.125) 1.235 15.531 ( 0.000 1.121 -0.945) 1.466 15.917 ( 0.000 -2.306 -0.017) 2.306 15.920 ( 0.000 -2.405 -0.046) 2.405 16.068 ( 0.000 0.236 -0.103) 0.258 16.073 ( 0.000 0.154 -0.603) 0.622 16.125 ( 0.000 -1.058 0.789) 1.320 16.154 ( 0.000 -3.269 -1.450) 3.576 17.022 ( 0.000 9.051 2.107) 9.293 17.094 ( 0.000 9.322 -5.210) 10.679 17.425 ( 0.000 -7.785 0.927) 7.840 17.458 ( 0.000 -6.335 -2.421) 6.782 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -11.678 6.275 11.741) 17.709 2.469 ( -8.408 3.357 4.451) 10.088 2.592 ( -4.588 16.247 10.525) 19.894 2.799 ( 0.321 12.453 -9.632) 15.746 2.995 ( 0.856 2.694 3.305) 4.348 3.171 ( -2.549 2.564 -12.317) 12.837 3.260 ( -3.051 -9.719 2.905) 10.593 3.350 ( -1.066 -7.472 -4.674) 8.877 3.501 ( 0.267 1.799 1.383) 2.285 3.554 ( -5.107 -2.462 -2.552) 6.218 3.739 ( -0.026 -5.790 2.088) 6.155 3.888 ( -2.668 -9.268 -9.998) 13.892 5.037 ( -3.945 5.710 29.831) 30.628 5.198 ( -17.557 3.566 21.731) 28.164 5.225 ( -5.702 19.095 11.513) 23.015 5.393 ( -1.532 26.130 -5.442) 26.735 5.661 ( -7.034 2.401 -25.669) 26.723 5.731 ( -12.339 0.167 -20.091) 23.578 5.866 ( 6.230 2.779 11.773) 13.606 6.009 ( 9.618 -6.398 8.136) 14.129 6.178 ( 3.185 1.501 -7.381) 8.178 6.342 ( 9.889 -6.167 -11.154) 16.131 6.551 ( 0.680 -13.564 -1.062) 13.623 6.591 ( -0.047 -13.055 -3.920) 13.631 6.903 ( -0.084 -7.046 2.248) 7.396 6.974 ( 0.268 -8.980 -4.069) 9.863 7.454 ( -9.559 -1.561 0.575) 9.703 7.490 ( -8.886 -2.289 -2.838) 9.605 8.239 ( 5.873 9.484 2.945) 11.537 8.282 ( 8.034 10.052 -1.088) 12.914 8.362 ( 5.825 3.685 4.129) 8.035 8.444 ( 10.006 3.045 -3.812) 11.132 9.301 ( 2.983 2.469 6.022) 7.159 9.397 ( 5.023 -1.309 -3.366) 6.187 10.230 ( -2.983 -3.718 0.728) 4.823 10.267 ( -2.236 -4.506 -2.659) 5.690 12.112 ( 1.361 11.874 14.209) 18.568 12.306 ( -7.467 3.389 17.991) 19.771 12.418 ( -0.810 13.416 -13.491) 19.044 12.725 ( -11.798 1.892 -20.769) 23.961 13.435 ( 5.638 -1.117 8.060) 9.899 13.484 ( 4.686 -0.750 2.847) 5.534 13.626 ( 4.862 -6.930 2.415) 8.803 13.746 ( 3.373 -6.697 -8.806) 11.566 14.530 ( 1.823 6.341 2.980) 7.240 14.588 ( 1.666 5.687 -2.321) 6.365 14.956 ( 4.919 -11.841 4.807) 13.694 15.003 ( 4.171 -12.464 0.486) 13.152 15.530 ( 0.735 1.225 -0.214) 1.445 15.535 ( 0.557 1.178 -0.805) 1.531 15.863 ( -4.166 -1.468 0.731) 4.478 15.881 ( -3.719 -2.328 -0.845) 4.468 16.078 ( 1.014 0.686 0.105) 1.228 16.085 ( 1.157 0.456 -0.543) 1.357 16.160 ( 3.083 -1.688 1.474) 3.811 16.201 ( 3.722 -4.045 -2.104) 5.886 17.022 ( -0.018 9.007 1.994) 9.225 17.089 ( -0.550 9.228 -4.757) 10.396 17.424 ( -0.089 -7.829 0.849) 7.876 17.454 ( -0.345 -6.483 -2.236) 6.866 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -13.888 6.180 13.208) 20.138 2.266 ( -10.556 0.193 -0.728) 10.583 2.613 ( 3.016 11.986 10.554) 16.252 2.810 ( -0.346 7.564 -5.054) 9.104 2.893 ( -11.508 -1.349 -3.772) 12.185 2.959 ( -12.103 3.772 -5.792) 13.937 3.244 ( -2.320 -9.594 3.172) 10.368 3.340 ( -4.917 -9.570 -4.677) 11.732 3.480 ( 2.716 3.639 0.868) 4.623 3.547 ( 4.234 3.160 -4.856) 7.175 3.747 ( 0.845 -6.426 0.484) 6.499 3.833 ( -2.641 -7.062 -6.889) 10.213 4.789 ( -16.462 2.829 20.848) 26.714 4.844 ( -17.286 0.781 20.780) 27.042 5.203 ( -16.034 14.589 -15.119) 26.429 5.228 ( -5.970 15.184 -4.693) 16.977 5.484 ( -4.171 12.079 -8.825) 15.530 5.656 ( 4.097 14.104 -14.389) 20.561 5.963 ( 4.028 5.764 8.760) 11.234 6.128 ( 2.381 1.889 -5.017) 5.866 6.326 ( 6.796 -6.531 9.697) 13.523 6.450 ( 4.054 -9.079 1.686) 10.085 6.559 ( -2.550 -9.585 -3.960) 10.679 6.630 ( 7.266 -11.365 -7.133) 15.259 6.890 ( -1.861 -6.353 3.218) 7.361 6.964 ( -2.115 -6.790 -3.625) 7.982 7.256 ( -9.711 -2.763 1.260) 10.175 7.308 ( -8.776 -3.120 -3.636) 9.998 8.359 ( 6.380 9.535 3.810) 12.089 8.409 ( 5.911 10.147 -0.700) 11.764 8.558 ( 12.353 2.051 5.974) 13.874 8.680 ( 13.223 0.265 -5.382) 14.279 9.368 ( 3.523 4.286 7.250) 9.129 9.507 ( 5.647 -0.340 -6.003) 8.249 10.154 ( -4.523 -5.456 1.427) 7.229 10.210 ( -3.502 -6.496 -3.654) 8.235 12.135 ( -1.502 8.115 12.673) 15.123 12.179 ( -2.193 7.314 11.981) 14.207 12.398 ( -1.295 10.897 -12.517) 16.647 12.489 ( -11.767 6.062 -16.868) 21.442 13.480 ( 1.805 -2.648 8.932) 9.489 13.608 ( 4.882 -2.681 -1.219) 5.702 13.725 ( 5.612 -9.347 4.010) 11.616 13.846 ( 5.426 -8.663 -6.136) 11.922 14.579 ( 3.212 9.413 3.821) 10.655 14.634 ( 2.932 8.489 -1.201) 9.061 15.066 ( 5.867 -11.834 4.718) 14.026 15.101 ( 5.390 -12.238 1.375) 13.442 15.556 ( 1.909 1.626 0.097) 2.509 15.562 ( 2.284 1.522 -0.468) 2.784 15.784 ( -3.535 -1.450 1.027) 3.957 15.807 ( -3.349 -2.314 -1.064) 4.207 16.104 ( 1.549 1.473 0.539) 2.204 16.113 ( 1.643 1.042 -0.377) 1.982 16.220 ( 2.759 -2.375 1.920) 4.116 16.267 ( 2.800 -4.647 -2.476) 5.964 17.021 ( -0.135 8.928 1.650) 9.081 17.074 ( -0.982 9.026 -3.659) 9.789 17.421 ( -0.212 -7.962 0.635) 7.990 17.445 ( -0.636 -6.889 -1.752) 7.136 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -2.762 5.598 9.794) 11.614 2.117 ( -3.989 -0.763 -4.586) 6.126 2.556 ( -13.333 0.440 0.836) 13.366 2.615 ( -14.395 -1.885 -4.128) 15.094 2.769 ( 2.135 6.612 3.487) 7.774 2.879 ( 0.873 3.707 -5.565) 6.743 3.175 ( -4.327 -8.752 2.194) 10.007 3.211 ( -6.507 -8.537 -0.996) 10.780 3.585 ( 6.186 5.355 0.965) 8.238 3.644 ( 4.261 2.246 -3.393) 5.892 3.778 ( 2.101 -4.907 -1.399) 5.518 3.794 ( -0.877 -3.557 -2.861) 4.648 4.498 ( -12.204 3.037 12.870) 17.994 4.571 ( -10.061 -0.490 13.194) 16.599 4.857 ( -17.979 8.479 -17.239) 26.312 4.961 ( -16.710 1.292 -20.213) 26.257 5.563 ( 6.901 26.197 8.566) 28.412 5.737 ( 2.819 22.545 -8.316) 24.195 6.045 ( 4.699 5.323 6.085) 9.351 6.154 ( 0.319 4.523 -4.330) 6.270 6.324 ( -1.170 -3.811 5.619) 6.890 6.457 ( -4.189 -4.827 -7.106) 9.558 6.638 ( 5.647 -12.098 7.240) 15.188 6.752 ( 1.574 -8.002 -3.735) 8.970 6.810 ( -4.413 -4.139 3.046) 6.774 6.898 ( -0.831 -4.386 -4.076) 6.045 7.128 ( -3.496 -9.135 2.849) 10.188 7.181 ( -4.843 -7.201 -2.419) 9.009 8.476 ( 5.462 10.878 3.325) 12.618 8.513 ( 4.538 11.542 -0.055) 12.402 8.788 ( 10.961 -0.945 7.245) 13.173 8.911 ( 9.806 -3.748 -3.709) 11.134 9.426 ( 2.561 7.624 6.097) 10.093 9.584 ( 1.639 3.194 -8.358) 9.096 10.075 ( -3.091 -9.199 1.899) 9.888 10.140 ( -3.525 -9.441 -4.144) 10.896 12.075 ( -1.733 9.577 9.055) 13.293 12.215 ( 2.658 6.365 5.543) 8.849 12.293 ( -8.210 9.202 -11.689) 16.991 12.368 ( -1.832 7.964 -9.338) 12.409 13.536 ( 3.995 -2.903 8.501) 9.831 13.671 ( 2.268 -5.147 -3.299) 6.521 13.816 ( 3.189 -9.768 4.694) 11.297 13.914 ( 1.417 -10.175 -3.732) 10.930 14.646 ( 3.467 11.669 4.034) 12.825 14.689 ( 2.420 10.677 -0.019) 10.948 15.167 ( 4.331 -11.756 4.538) 13.325 15.193 ( 3.818 -12.226 1.975) 12.960 15.592 ( 1.420 2.451 1.052) 3.021 15.605 ( 1.560 2.526 -0.122) 2.972 15.743 ( -0.413 -2.718 1.380) 3.076 15.768 ( -0.557 -3.038 -0.931) 3.226 16.135 ( 1.656 2.054 0.886) 2.784 16.144 ( 1.461 1.593 0.050) 2.163 16.261 ( 1.569 -2.670 1.745) 3.555 16.302 ( 0.785 -4.397 -2.087) 4.930 17.018 ( -0.101 8.873 1.032) 8.934 17.053 ( -1.153 8.852 -2.381) 9.239 17.417 ( -0.207 -8.119 0.322) 8.128 17.431 ( -0.697 -7.431 -1.143) 7.551 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 7.819 3.839 1.729) 8.881 2.117 ( 2.077 0.845 -7.924) 8.235 2.286 ( -10.630 -1.563 1.297) 10.822 2.350 ( -12.032 -2.893 -4.368) 13.123 2.848 ( 4.257 2.921 3.582) 6.284 2.896 ( -0.227 1.539 -0.450) 1.619 3.103 ( -2.244 -8.319 -0.146) 8.617 3.115 ( -3.193 -8.165 -1.058) 8.830 3.674 ( 2.541 4.399 2.004) 5.461 3.690 ( 0.704 2.898 0.424) 3.012 3.789 ( 1.140 -1.431 0.634) 1.936 3.814 ( -0.255 -2.026 -0.999) 2.273 4.383 ( 1.384 3.822 0.309) 4.077 4.483 ( -1.050 -0.019 -3.145) 3.316 4.562 ( -9.298 3.891 -7.286) 12.437 4.668 ( -12.624 -1.125 -12.077) 17.507 5.682 ( 5.014 27.556 4.884) 28.432 5.748 ( -1.619 26.245 -1.652) 26.347 6.110 ( 1.773 3.395 1.198) 4.013 6.143 ( -1.417 3.745 -1.849) 4.410 6.370 ( 6.126 -2.071 1.985) 6.764 6.441 ( 3.248 -3.617 -4.763) 6.806 6.546 ( -8.338 -0.131 2.267) 8.642 6.608 ( -9.985 0.479 -3.561) 10.612 6.917 ( 8.129 -7.882 3.967) 11.998 6.972 ( 3.984 -8.487 -1.048) 9.434 7.076 ( -2.740 -14.434 2.332) 14.876 7.093 ( -4.232 -12.291 0.505) 13.009 8.556 ( 2.638 12.358 2.266) 12.838 8.571 ( 1.206 12.710 0.966) 12.803 8.963 ( 6.719 -4.682 6.839) 10.669 9.023 ( 1.193 -6.811 2.213) 7.260 9.484 ( 3.852 10.596 -0.456) 11.284 9.563 ( -3.437 8.341 -6.958) 11.393 10.049 ( 0.404 -12.665 0.010) 12.672 10.081 ( -2.555 -12.202 -2.886) 12.796 12.081 ( 2.225 11.145 2.830) 11.712 12.154 ( -5.261 10.953 -3.686) 12.698 12.278 ( 2.774 5.575 -0.851) 6.285 12.328 ( -2.356 6.112 -5.253) 8.397 13.623 ( 4.482 -4.206 6.607) 9.024 13.685 ( -1.351 -5.435 1.981) 5.941 13.862 ( 2.311 -9.781 0.345) 10.056 13.907 ( -1.844 -10.175 -2.606) 10.664 14.701 ( 1.964 12.141 3.043) 12.670 14.717 ( 0.333 11.700 1.498) 11.800 15.228 ( 1.952 -11.857 3.821) 12.609 15.239 ( 0.873 -12.114 2.752) 12.454 15.609 ( 0.573 2.928 1.055) 3.164 15.616 ( -0.103 3.105 0.413) 3.134 15.758 ( 1.196 -3.680 1.333) 4.093 15.770 ( 0.062 -3.636 0.211) 3.643 16.162 ( 0.942 2.365 0.932) 2.711 16.165 ( 0.613 2.158 0.630) 2.330 16.284 ( 0.959 -3.076 0.688) 3.295 16.301 ( -0.688 -3.717 -0.913) 3.889 17.020 ( 0.347 8.819 0.078) 8.826 17.032 ( -0.918 8.785 -1.118) 8.903 17.415 ( 0.060 -8.144 -0.075) 8.145 17.420 ( -0.453 -7.907 -0.566) 7.941 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 0.000 -0.631 9.046) 9.068 2.630 ( 0.000 0.631 9.046) 9.068 2.949 ( 0.000 -0.526 7.196) 7.215 2.949 ( 0.000 0.526 7.196) 7.215 3.012 ( 0.000 -6.711 -7.183) 9.831 3.012 ( 0.000 6.711 -7.183) 9.831 3.272 ( 0.000 -0.173 -3.674) 3.678 3.272 ( 0.000 0.173 -3.674) 3.678 3.525 ( 0.000 -3.310 -0.744) 3.393 3.525 ( 0.000 3.310 -0.744) 3.393 3.753 ( 0.000 -5.123 -6.259) 8.088 3.753 ( 0.000 5.123 -6.259) 8.088 5.265 ( 0.000 -10.464 28.112) 29.996 5.265 ( 0.000 10.464 28.112) 29.996 5.657 ( 0.000 -0.073 11.563) 11.563 5.657 ( 0.000 0.073 11.563) 11.563 5.758 ( 0.000 -4.587 -2.958) 5.458 5.758 ( 0.000 4.587 -2.958) 5.458 5.948 ( 0.000 -3.070 -16.050) 16.341 5.948 ( 0.000 3.070 -16.050) 16.341 6.216 ( 0.000 -8.915 -6.192) 10.854 6.216 ( 0.000 8.915 -6.192) 10.854 6.250 ( 0.000 -14.776 -9.755) 17.706 6.250 ( 0.000 14.776 -9.755) 17.706 6.828 ( 0.000 -1.730 -1.117) 2.060 6.828 ( 0.000 1.730 -1.117) 2.060 7.551 ( 0.000 -0.798 -0.738) 1.087 7.551 ( 0.000 0.798 -0.738) 1.087 8.296 ( 0.000 -0.032 0.158) 0.162 8.296 ( 0.000 0.032 0.158) 0.162 8.375 ( 0.000 -0.276 0.902) 0.943 8.375 ( 0.000 0.276 0.902) 0.943 9.309 ( 0.000 -1.759 1.465) 2.289 9.309 ( 0.000 1.759 1.465) 2.289 10.231 ( 0.000 -0.951 -1.409) 1.700 10.231 ( 0.000 0.951 -1.409) 1.700 12.327 ( 0.000 -7.065 19.426) 20.670 12.327 ( 0.000 7.065 19.426) 20.670 12.741 ( 0.000 -11.577 -19.060) 22.300 12.741 ( 0.000 11.577 -19.060) 22.300 13.391 ( 0.000 -1.358 5.454) 5.621 13.391 ( 0.000 1.358 5.454) 5.621 13.578 ( 0.000 -5.207 -4.866) 7.127 13.578 ( 0.000 5.207 -4.866) 7.127 14.666 ( 0.000 -9.605 4.047) 10.423 14.666 ( 0.000 9.605 4.047) 10.423 14.718 ( 0.000 -9.340 -0.997) 9.393 14.718 ( 0.000 9.340 -0.997) 9.393 15.542 ( 0.000 -0.241 -0.779) 0.815 15.542 ( 0.000 0.241 -0.779) 0.815 15.889 ( 0.000 -0.075 0.458) 0.464 15.889 ( 0.000 0.075 0.458) 0.464 16.073 ( 0.000 -0.182 -0.437) 0.473 16.073 ( 0.000 0.182 -0.437) 0.473 16.117 ( 0.000 -0.454 -0.186) 0.490 16.117 ( 0.000 0.454 -0.186) 0.490 17.215 ( 0.000 -6.849 0.857) 6.902 17.215 ( 0.000 6.849 0.857) 6.902 17.307 ( 0.000 -5.755 -3.459) 6.715 17.307 ( 0.000 5.755 -3.459) 6.715 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -12.531 -1.384 7.613) 14.727 2.492 ( -12.531 1.384 7.613) 14.727 2.896 ( -3.421 -10.437 3.841) 11.636 2.896 ( -3.421 10.437 3.841) 11.636 3.046 ( 0.403 -9.660 0.796) 9.701 3.046 ( 0.403 9.660 0.796) 9.701 3.243 ( -3.615 -3.620 -7.875) 9.391 3.243 ( -3.615 3.620 -7.875) 9.391 3.520 ( 0.238 -1.234 0.869) 1.528 3.520 ( 0.238 1.234 0.869) 1.528 3.725 ( -1.963 -4.931 -6.985) 8.773 3.725 ( -1.963 4.931 -6.985) 8.773 5.134 ( -13.002 -4.058 26.353) 29.665 5.134 ( -13.002 4.058 26.353) 29.665 5.651 ( -7.333 -6.944 -7.511) 12.586 5.651 ( -7.333 6.944 -7.511) 12.586 5.741 ( 1.539 -3.205 -3.910) 5.285 5.741 ( 1.539 3.205 -3.910) 5.285 5.917 ( 3.026 -6.639 1.559) 7.461 5.917 ( 3.026 6.639 1.559) 7.461 6.262 ( 4.461 -10.219 -4.679) 12.092 6.262 ( 4.461 10.219 -4.679) 12.092 6.320 ( 3.879 -8.082 -7.281) 11.549 6.320 ( 3.879 8.082 -7.281) 11.549 6.836 ( 0.647 -1.839 -1.244) 2.313 6.836 ( 0.647 1.839 -1.244) 2.313 7.454 ( -8.870 -1.064 -1.080) 8.998 7.454 ( -8.870 1.064 -1.080) 8.998 8.374 ( 6.120 -2.621 3.707) 7.620 8.374 ( 6.120 2.621 3.707) 7.620 8.441 ( 7.435 -3.726 -2.207) 8.604 8.441 ( 7.435 3.726 -2.207) 8.604 9.356 ( 4.558 -2.458 1.265) 5.331 9.356 ( 4.558 2.458 1.265) 5.331 10.197 ( -3.370 -1.172 -1.616) 3.917 10.197 ( -3.370 1.172 -1.616) 3.917 12.297 ( -2.600 -4.514 17.738) 18.487 12.297 ( -2.600 4.514 17.738) 18.487 12.676 ( -5.811 -7.959 -18.069) 20.582 12.676 ( -5.811 7.959 -18.069) 20.582 13.452 ( 4.876 -3.518 6.433) 8.805 13.452 ( 4.876 3.518 6.433) 8.805 13.590 ( 1.720 -5.947 -5.404) 8.218 13.590 ( 1.720 5.947 -5.404) 8.218 14.707 ( 3.884 -9.444 4.322) 11.089 14.707 ( 3.884 9.444 4.322) 11.089 14.760 ( 4.113 -9.012 -0.672) 9.929 14.760 ( 4.113 9.012 -0.672) 9.929 15.547 ( 0.737 -0.171 -0.773) 1.081 15.547 ( 0.737 0.171 -0.773) 1.081 15.849 ( -3.623 -0.413 0.401) 3.669 15.849 ( -3.623 0.413 0.401) 3.669 16.090 ( 1.652 -0.175 -0.218) 1.675 16.090 ( 1.652 0.175 -0.218) 1.675 16.147 ( 2.605 -0.853 -0.223) 2.751 16.147 ( 2.605 0.853 -0.223) 2.751 17.215 ( -0.056 -6.698 0.775) 6.743 17.215 ( -0.056 6.698 0.775) 6.743 17.301 ( -0.623 -5.691 -3.136) 6.528 17.301 ( -0.623 5.691 -3.136) 6.528 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -12.611 -3.673 6.419) 14.620 2.231 ( -12.611 3.673 6.419) 14.620 2.808 ( -7.245 -5.995 0.300) 9.409 2.808 ( -7.245 5.995 0.300) 9.409 2.976 ( -6.719 -7.103 3.307) 10.322 2.976 ( -6.719 7.103 3.307) 10.322 3.154 ( -4.339 -6.139 -6.202) 9.746 3.154 ( -4.339 6.139 -6.202) 9.746 3.568 ( 4.926 -3.767 0.051) 6.202 3.568 ( 4.926 3.767 0.051) 6.202 3.705 ( -0.101 -4.341 -6.033) 7.433 3.705 ( -0.101 4.341 -6.033) 7.433 4.832 ( -16.692 -1.513 20.975) 26.849 4.832 ( -16.692 1.513 20.975) 26.849 5.338 ( -19.556 -0.820 -22.933) 30.150 5.338 ( -19.556 0.820 -22.933) 30.150 5.908 ( 10.037 -15.355 6.215) 19.368 5.908 ( 10.037 15.355 6.215) 19.368 6.022 ( 7.097 -2.919 5.259) 9.303 6.022 ( 7.097 2.919 5.259) 9.303 6.333 ( 1.899 -9.543 -2.704) 10.099 6.333 ( 1.899 9.543 -2.704) 10.099 6.375 ( 2.464 -6.151 -4.931) 8.259 6.375 ( 2.464 6.151 -4.931) 8.259 6.840 ( -0.460 -2.305 -0.211) 2.360 6.840 ( -0.460 2.305 -0.211) 2.360 7.257 ( -10.639 -1.672 -1.657) 10.896 7.257 ( -10.639 1.672 -1.657) 10.896 8.504 ( 7.524 -2.974 4.639) 9.326 8.504 ( 7.524 2.974 4.639) 9.326 8.627 ( 10.176 -4.921 -2.084) 11.494 8.627 ( 10.176 4.921 -2.084) 11.494 9.465 ( 6.270 -3.887 0.573) 7.400 9.465 ( 6.270 3.887 0.573) 7.400 10.107 ( -5.842 -1.858 -2.186) 6.508 10.107 ( -5.842 1.858 -2.186) 6.508 12.250 ( -1.727 -1.581 13.545) 13.746 12.250 ( -1.727 1.581 13.545) 13.746 12.551 ( -6.613 -1.928 -15.196) 16.685 12.551 ( -6.613 1.928 -15.196) 16.685 13.527 ( 2.950 -6.895 4.716) 8.859 13.527 ( 2.950 6.895 4.716) 8.859 13.656 ( 4.271 -6.929 -2.905) 8.642 13.656 ( 4.271 6.929 -2.905) 8.642 14.801 ( 5.568 -9.153 4.376) 11.573 14.801 ( 5.568 9.153 4.376) 11.573 14.852 ( 4.805 -8.543 0.529) 9.816 14.852 ( 4.805 8.543 0.529) 9.816 15.579 ( 2.627 -0.223 -0.463) 2.677 15.579 ( 2.627 0.223 -0.463) 2.677 15.772 ( -3.855 -0.622 0.301) 3.917 15.772 ( -3.855 0.622 0.301) 3.917 16.129 ( 2.163 -0.238 0.157) 2.182 16.129 ( 2.163 0.238 0.157) 2.182 16.198 ( 2.388 -1.217 -0.172) 2.686 16.198 ( 2.388 1.217 -0.172) 2.686 17.213 ( -0.076 -6.402 0.575) 6.428 17.213 ( -0.076 6.402 0.575) 6.428 17.284 ( -1.177 -5.603 -2.387) 6.203 17.284 ( -1.177 5.603 -2.387) 6.203 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -3.887 -4.295 3.625) 6.833 2.063 ( -3.887 4.295 3.625) 6.833 2.576 ( -15.168 -1.554 -3.629) 15.673 2.576 ( -15.168 1.554 -3.629) 15.673 2.899 ( -0.913 -4.298 0.582) 4.433 2.899 ( -0.913 4.298 0.582) 4.433 3.072 ( -4.391 -2.518 -0.022) 5.062 3.072 ( -4.391 2.518 -0.022) 5.062 3.685 ( 5.743 -4.051 -0.650) 7.058 3.685 ( 5.743 4.051 -0.650) 7.058 3.717 ( 1.709 -3.907 -3.070) 5.255 3.717 ( 1.709 3.907 -3.070) 5.255 4.547 ( -11.375 -1.738 12.510) 16.997 4.547 ( -11.375 1.738 12.510) 16.997 4.959 ( -19.024 -1.890 -19.750) 27.487 4.959 ( -19.024 1.890 -19.750) 27.487 6.038 ( 3.986 -7.757 3.435) 9.373 6.038 ( 3.986 7.757 3.435) 9.373 6.192 ( 8.702 -9.146 3.346) 13.060 6.192 ( 8.702 9.146 3.346) 13.060 6.324 ( -2.053 -8.273 0.714) 8.554 6.324 ( -2.053 8.273 0.714) 8.554 6.435 ( 3.610 -9.017 -3.814) 10.435 6.435 ( 3.610 9.017 -3.814) 10.435 6.821 ( -1.089 -3.381 1.290) 3.779 6.821 ( -1.089 3.381 1.290) 3.779 7.068 ( -8.706 -2.817 -1.589) 9.287 7.068 ( -8.706 2.817 -1.589) 9.287 8.656 ( 7.880 -3.537 4.210) 9.608 8.656 ( 7.880 3.537 4.210) 9.608 8.790 ( 6.081 -5.664 -0.006) 8.310 8.790 ( 6.081 5.664 -0.006) 8.310 9.587 ( 6.286 -5.122 -0.746) 8.143 9.587 ( 6.286 5.122 -0.746) 8.143 9.981 ( -7.007 -2.945 -2.833) 8.112 9.981 ( -7.007 2.945 -2.833) 8.112 12.241 ( 0.843 -4.392 8.095) 9.248 12.241 ( 0.843 4.392 8.095) 9.248 12.435 ( -5.339 -2.577 -10.432) 11.999 12.435 ( -5.339 2.577 -10.432) 11.999 13.586 ( 3.394 -6.672 2.528) 7.901 13.586 ( 3.394 6.672 2.528) 7.901 13.715 ( 1.422 -5.900 -0.373) 6.080 13.715 ( 1.422 5.900 -0.373) 6.080 14.903 ( 4.432 -12.125 4.280) 13.600 14.903 ( 4.432 12.125 4.280) 13.600 14.931 ( 3.310 -11.630 1.458) 12.179 14.931 ( 3.310 11.630 1.458) 12.179 15.637 ( 2.922 -0.848 0.454) 3.077 15.637 ( 2.922 0.848 0.454) 3.077 15.713 ( -2.031 -1.159 0.155) 2.344 15.713 ( -2.031 1.159 0.155) 2.344 16.170 ( 2.110 -0.295 0.463) 2.180 16.170 ( 2.110 0.295 0.463) 2.180 16.232 ( 1.001 -1.220 0.050) 1.579 16.232 ( 1.001 1.220 0.050) 1.579 17.213 ( 0.074 -6.220 0.283) 6.227 17.213 ( 0.074 6.220 0.283) 6.227 17.258 ( -1.395 -5.686 -1.570) 6.061 17.258 ( -1.395 5.686 -1.570) 6.061 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 6.558 -3.213 -0.658) 7.332 2.092 ( 6.558 3.213 -0.658) 7.332 2.291 ( -13.375 -2.116 -3.706) 14.040 2.291 ( -13.375 2.116 -3.706) 14.040 2.919 ( 2.604 -2.494 0.109) 3.607 2.919 ( 2.604 2.494 0.109) 3.607 2.987 ( -4.212 -1.598 0.687) 4.557 2.987 ( -4.212 1.598 0.687) 4.557 3.740 ( 2.185 -0.747 0.161) 2.315 3.740 ( 2.185 0.747 0.161) 2.315 3.768 ( 0.525 -1.458 0.432) 1.609 3.768 ( 0.525 1.458 0.432) 1.609 4.455 ( 2.814 -2.542 0.099) 3.794 4.455 ( 2.814 2.542 0.099) 3.794 4.632 ( -14.156 -2.461 -11.588) 18.459 4.632 ( -14.156 2.461 -11.588) 18.459 6.109 ( 4.100 -2.803 1.007) 5.067 6.109 ( 4.100 2.803 1.007) 5.067 6.202 ( -5.106 -2.411 -0.662) 5.686 6.202 ( -5.106 2.411 -0.662) 5.686 6.389 ( 6.648 -4.706 1.414) 8.267 6.389 ( 6.648 4.706 1.414) 8.267 6.472 ( -1.087 -7.163 0.044) 7.246 6.472 ( -1.087 7.163 0.044) 7.246 6.830 ( 2.735 -1.767 1.161) 3.457 6.830 ( 2.735 1.767 1.161) 3.457 6.923 ( -6.411 -2.413 -0.126) 6.852 6.923 ( -6.411 2.413 -0.126) 6.852 8.789 ( 5.411 -4.546 3.528) 7.899 8.789 ( 5.411 4.546 3.528) 7.899 8.847 ( -0.259 -5.526 2.146) 5.934 8.847 ( -0.259 5.526 2.146) 5.934 9.711 ( 6.651 -5.211 -2.246) 8.743 9.711 ( 6.651 5.211 -2.246) 8.743 9.844 ( -7.125 -4.219 -3.005) 8.808 9.844 ( -7.125 4.219 -3.005) 8.808 12.278 ( 2.822 -5.612 1.971) 6.583 12.278 ( 2.822 5.612 1.971) 6.583 12.345 ( -4.035 -4.969 -4.415) 7.776 12.345 ( -4.035 4.969 -4.415) 7.776 13.655 ( 3.480 -6.006 1.493) 7.100 13.655 ( 3.480 6.006 1.493) 7.100 13.709 ( -1.829 -5.614 0.723) 5.948 13.709 ( -1.829 5.614 0.723) 5.948 14.963 ( 1.847 -10.946 3.271) 11.573 14.963 ( 1.847 10.946 3.271) 11.573 14.974 ( 0.841 -10.803 2.643) 11.153 14.974 ( 0.841 10.803 2.643) 11.153 15.678 ( 1.277 -2.572 1.077) 3.067 15.678 ( 1.277 2.572 1.077) 3.067 15.693 ( -0.505 -2.711 0.335) 2.777 15.693 ( -0.505 2.711 0.335) 2.777 16.209 ( 1.820 -0.478 0.536) 1.957 16.209 ( 1.820 0.478 0.536) 1.957 16.235 ( -0.698 -0.893 0.352) 1.187 16.235 ( -0.698 0.893 0.352) 1.187 17.218 ( 0.515 -6.138 -0.180) 6.162 17.218 ( 0.515 6.138 -0.180) 6.162 17.234 ( -1.097 -5.943 -0.824) 6.099 17.234 ( -1.097 5.943 -0.824) 6.099 =================== 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 3/29160 10.0 3703.499 2981.782 2339.849 0.000 0.000 0.000 3/29160 20.0 652.151 700.637 652.708 0.000 0.000 0.000 3/29160 30.0 265.741 287.994 269.736 0.000 0.000 0.000 3/29160 40.0 143.735 153.668 146.487 0.000 0.000 0.000 3/29160 50.0 90.359 95.295 92.292 0.000 0.000 0.000 3/29160 60.0 62.971 65.643 64.412 0.000 0.000 0.000 3/29160 70.0 47.242 48.779 48.353 0.000 0.000 0.000 3/29160 80.0 37.369 38.292 38.237 0.000 0.000 0.000 3/29160 90.0 30.718 31.292 31.399 0.000 0.000 0.000 3/29160 100.0 25.982 26.348 26.516 0.000 0.000 0.000 3/29160 110.0 22.460 22.701 22.880 0.000 0.000 0.000 3/29160 120.0 19.751 19.914 20.081 0.000 0.000 0.000 3/29160 130.0 17.609 17.725 17.869 0.000 0.000 0.000 3/29160 140.0 15.879 15.965 16.082 0.000 0.000 0.000 3/29160 150.0 14.454 14.523 14.613 0.000 0.000 0.000 3/29160 160.0 13.263 13.322 13.386 0.000 0.000 0.000 3/29160 170.0 12.254 12.308 12.348 0.000 0.000 0.000 3/29160 180.0 11.388 11.441 11.460 0.000 0.000 0.000 3/29160 190.0 10.638 10.692 10.692 0.000 0.000 0.000 3/29160 200.0 9.983 10.038 10.022 0.000 0.000 0.000 3/29160 210.0 9.405 9.463 9.432 0.000 0.000 0.000 3/29160 220.0 8.891 8.953 8.909 0.000 0.000 0.000 3/29160 230.0 8.433 8.497 8.442 0.000 0.000 0.000 3/29160 240.0 8.020 8.088 8.023 0.000 0.000 0.000 3/29160 250.0 7.647 7.718 7.645 0.000 0.000 0.000 3/29160 260.0 7.309 7.382 7.302 0.000 0.000 0.000 3/29160 270.0 7.000 7.075 6.989 0.000 0.000 0.000 3/29160 280.0 6.716 6.794 6.703 0.000 0.000 0.000 3/29160 290.0 6.456 6.536 6.440 0.000 0.000 0.000 3/29160 300.0 6.215 6.297 6.197 0.000 0.000 0.000 3/29160 310.0 5.992 6.076 5.973 0.000 0.000 0.000 3/29160 320.0 5.786 5.870 5.765 0.000 0.000 0.000 3/29160 330.0 5.593 5.679 5.571 0.000 0.000 0.000 3/29160 340.0 5.413 5.500 5.390 0.000 0.000 0.000 3/29160 350.0 5.245 5.332 5.221 0.000 0.000 0.000 3/29160 360.0 5.087 5.175 5.063 0.000 0.000 0.000 3/29160 370.0 4.939 5.027 4.914 0.000 0.000 0.000 3/29160 380.0 4.799 4.887 4.774 0.000 0.000 0.000 3/29160 390.0 4.667 4.755 4.642 0.000 0.000 0.000 3/29160 400.0 4.542 4.631 4.517 0.000 0.000 0.000 3/29160 410.0 4.424 4.513 4.399 0.000 0.000 0.000 3/29160 420.0 4.312 4.401 4.287 0.000 0.000 0.000 3/29160 430.0 4.206 4.294 4.181 0.000 0.000 0.000 3/29160 440.0 4.105 4.193 4.080 0.000 0.000 0.000 3/29160 450.0 4.009 4.096 3.984 0.000 0.000 0.000 3/29160 460.0 3.917 4.004 3.892 0.000 0.000 0.000 3/29160 470.0 3.830 3.916 3.805 0.000 0.000 0.000 3/29160 480.0 3.746 3.832 3.721 0.000 0.000 0.000 3/29160 490.0 3.666 3.752 3.641 0.000 0.000 0.000 3/29160 500.0 3.590 3.675 3.565 0.000 0.000 0.000 3/29160 510.0 3.516 3.601 3.492 0.000 0.000 0.000 3/29160 520.0 3.446 3.530 3.422 0.000 0.000 0.000 3/29160 530.0 3.378 3.462 3.354 0.000 0.000 0.000 3/29160 540.0 3.313 3.396 3.290 0.000 0.000 0.000 3/29160 550.0 3.251 3.333 3.227 0.000 0.000 0.000 3/29160 560.0 3.191 3.272 3.167 0.000 0.000 0.000 3/29160 570.0 3.133 3.214 3.110 0.000 0.000 0.000 3/29160 580.0 3.077 3.157 3.054 0.000 0.000 0.000 3/29160 590.0 3.023 3.103 3.001 0.000 0.000 0.000 3/29160 600.0 2.971 3.050 2.949 0.000 0.000 0.000 3/29160 610.0 2.921 2.999 2.899 0.000 0.000 0.000 3/29160 620.0 2.873 2.950 2.851 0.000 0.000 0.000 3/29160 630.0 2.826 2.903 2.804 0.000 0.000 0.000 3/29160 640.0 2.780 2.857 2.759 0.000 0.000 0.000 3/29160 650.0 2.737 2.812 2.715 0.000 0.000 0.000 3/29160 660.0 2.694 2.769 2.673 0.000 0.000 0.000 3/29160 670.0 2.653 2.727 2.632 0.000 0.000 0.000 3/29160 680.0 2.613 2.686 2.592 0.000 0.000 0.000 3/29160 690.0 2.574 2.647 2.554 0.000 0.000 0.000 3/29160 700.0 2.537 2.609 2.516 0.000 0.000 0.000 3/29160 710.0 2.500 2.572 2.480 0.000 0.000 0.000 3/29160 720.0 2.465 2.535 2.445 0.000 0.000 0.000 3/29160 730.0 2.430 2.500 2.411 0.000 0.000 0.000 3/29160 740.0 2.397 2.466 2.377 0.000 0.000 0.000 3/29160 750.0 2.364 2.433 2.345 0.000 0.000 0.000 3/29160 760.0 2.332 2.401 2.313 0.000 0.000 0.000 3/29160 770.0 2.301 2.369 2.283 0.000 0.000 0.000 3/29160 780.0 2.271 2.339 2.253 0.000 0.000 0.000 3/29160 790.0 2.242 2.309 2.224 0.000 0.000 0.000 3/29160 800.0 2.214 2.280 2.195 0.000 0.000 0.000 3/29160 810.0 2.186 2.251 2.168 0.000 0.000 0.000 3/29160 820.0 2.159 2.224 2.141 0.000 0.000 0.000 3/29160 830.0 2.132 2.197 2.115 0.000 0.000 0.000 3/29160 840.0 2.107 2.170 2.089 0.000 0.000 0.000 3/29160 850.0 2.081 2.145 2.064 0.000 0.000 0.000 3/29160 860.0 2.057 2.120 2.040 0.000 0.000 0.000 3/29160 870.0 2.033 2.095 2.016 0.000 0.000 0.000 3/29160 880.0 2.009 2.071 1.993 0.000 0.000 0.000 3/29160 890.0 1.987 2.048 1.970 0.000 0.000 0.000 3/29160 900.0 1.964 2.025 1.948 0.000 0.000 0.000 3/29160 910.0 1.942 2.002 1.926 0.000 0.000 0.000 3/29160 920.0 1.921 1.980 1.905 0.000 0.000 0.000 3/29160 930.0 1.900 1.959 1.884 0.000 0.000 0.000 3/29160 940.0 1.880 1.938 1.864 0.000 0.000 0.000 3/29160 950.0 1.860 1.918 1.844 0.000 0.000 0.000 3/29160 960.0 1.840 1.898 1.824 0.000 0.000 0.000 3/29160 970.0 1.821 1.878 1.805 0.000 0.000 0.000 3/29160 980.0 1.802 1.859 1.787 0.000 0.000 0.000 3/29160 990.0 1.784 1.840 1.768 0.000 0.000 0.000 3/29160 1000.0 1.766 1.821 1.750 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:44:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|