----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:01:49]------------------------- 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 5.673738570000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.864041300000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.368733500000000 Atomic positions (fractional): *1 Ho 0.43558613575060 0.25000000000000 0.02165309630567 164.930 2 Ho 0.06441386424940 0.75000000000000 0.52165309630567 164.930 3 Ho 0.93558613575060 0.25000000000000 0.47834690369433 164.930 4 Ho 0.56441386424940 0.75000000000000 0.97834690369433 164.930 *5 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 6 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 7 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 8 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 *9 O 0.05882942216453 0.25000000000000 0.86633914075911 15.999 10 O 0.44117057783547 0.75000000000000 0.36633914075911 15.999 11 O 0.55882942216453 0.25000000000000 0.63366085924089 15.999 12 O 0.94117057783547 0.75000000000000 0.13366085924089 15.999 *13 O 0.80645845416153 0.92997034297708 0.69045366641642 15.999 14 O 0.69354154583847 0.07002965702292 0.19045366641642 15.999 15 O 0.30645845416153 0.57002965702292 0.80954633358358 15.999 16 O 0.19354154583847 0.42997034297708 0.30954633358358 15.999 17 O 0.19354154583847 0.07002965702292 0.30954633358358 15.999 18 O 0.30645845416153 0.92997034297708 0.80954633358358 15.999 19 O 0.69354154583847 0.42997034297708 0.19045366641642 15.999 20 O 0.80645845416153 0.57002965702292 0.69045366641642 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.673738570000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.864041300000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.368733500000000 Atomic positions (fractional): *1 Ho 0.43558613575060 0.25000000000000 0.02165309630567 164.930 > 1 2 Ho 0.06441386424940 0.75000000000000 0.52165309630567 164.930 > 2 3 Ho 0.93558613575060 0.25000000000000 0.47834690369433 164.930 > 3 4 Ho 0.56441386424940 0.75000000000000 0.97834690369433 164.930 > 4 *5 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 5 6 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 6 7 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 7 8 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 8 *9 O 0.05882942216453 0.25000000000000 0.86633914075911 15.999 > 9 10 O 0.44117057783547 0.75000000000000 0.36633914075911 15.999 > 10 11 O 0.55882942216453 0.25000000000000 0.63366085924089 15.999 > 11 12 O 0.94117057783547 0.75000000000000 0.13366085924089 15.999 > 12 *13 O 0.80645845416153 0.92997034297708 0.69045366641642 15.999 > 13 14 O 0.69354154583847 0.07002965702292 0.19045366641642 15.999 > 14 15 O 0.30645845416153 0.57002965702292 0.80954633358358 15.999 > 15 16 O 0.19354154583847 0.42997034297708 0.30954633358358 15.999 > 16 17 O 0.19354154583847 0.07002965702292 0.30954633358358 15.999 > 17 18 O 0.30645845416153 0.92997034297708 0.80954633358358 15.999 > 18 19 O 0.69354154583847 0.42997034297708 0.19045366641642 15.999 > 19 20 O 0.80645845416153 0.57002965702292 0.69045366641642 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.347477140000002 0.000000000000000 0.000000000000000 b 0.000000000000000 7.864041300000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.737467000000001 Atomic positions (fractional): *1 Ho 0.21779306787530 0.25000000000000 0.01082654815283 164.930 > 1 2 Ho 0.71779306787530 0.25000000000000 0.01082654815283 164.930 > 1 3 Ho 0.21779306787530 0.25000000000000 0.51082654815284 164.930 > 1 4 Ho 0.71779306787530 0.25000000000000 0.51082654815284 164.930 > 1 5 Ho 0.03220693212470 0.75000000000000 0.26082654815284 164.930 > 2 6 Ho 0.53220693212470 0.75000000000000 0.26082654815284 164.930 > 2 7 Ho 0.03220693212470 0.75000000000000 0.76082654815284 164.930 > 2 8 Ho 0.53220693212470 0.75000000000000 0.76082654815284 164.930 > 2 9 Ho 0.46779306787530 0.25000000000000 0.23917345184716 164.930 > 3 10 Ho 0.96779306787530 0.25000000000000 0.23917345184716 164.930 > 3 11 Ho 0.46779306787530 0.25000000000000 0.73917345184716 164.930 > 3 12 Ho 0.96779306787530 0.25000000000000 0.73917345184716 164.930 > 3 13 Ho 0.28220693212470 0.75000000000000 0.48917345184716 164.930 > 4 14 Ho 0.78220693212470 0.75000000000000 0.48917345184716 164.930 > 4 15 Ho 0.28220693212470 0.75000000000000 0.98917345184716 164.930 > 4 16 Ho 0.78220693212470 0.75000000000000 0.98917345184716 164.930 > 4 *17 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 5 18 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 5 19 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 5 20 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 5 21 Sc 0.25000000000000 0.00000000000000 0.25000000000000 44.956 > 6 22 Sc 0.75000000000000 0.00000000000000 0.25000000000000 44.956 > 6 23 Sc 0.25000000000000 0.00000000000000 0.75000000000000 44.956 > 6 24 Sc 0.75000000000000 0.00000000000000 0.75000000000000 44.956 > 6 25 Sc 0.25000000000000 0.50000000000000 0.25000000000000 44.956 > 7 26 Sc 0.75000000000000 0.50000000000000 0.25000000000000 44.956 > 7 27 Sc 0.25000000000000 0.50000000000000 0.75000000000000 44.956 > 7 28 Sc 0.75000000000000 0.50000000000000 0.75000000000000 44.956 > 7 29 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 8 30 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 8 31 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 8 32 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 8 *33 O 0.02941471108226 0.25000000000000 0.43316957037955 15.999 > 9 34 O 0.52941471108226 0.25000000000000 0.43316957037955 15.999 > 9 35 O 0.02941471108226 0.25000000000000 0.93316957037955 15.999 > 9 36 O 0.52941471108226 0.25000000000000 0.93316957037955 15.999 > 9 37 O 0.22058528891774 0.75000000000000 0.18316957037955 15.999 > 10 38 O 0.72058528891774 0.75000000000000 0.18316957037955 15.999 > 10 39 O 0.22058528891774 0.75000000000000 0.68316957037955 15.999 > 10 40 O 0.72058528891774 0.75000000000000 0.68316957037955 15.999 > 10 41 O 0.27941471108226 0.25000000000000 0.31683042962045 15.999 > 11 42 O 0.77941471108226 0.25000000000000 0.31683042962045 15.999 > 11 43 O 0.27941471108226 0.25000000000000 0.81683042962045 15.999 > 11 44 O 0.77941471108226 0.25000000000000 0.81683042962045 15.999 > 11 45 O 0.47058528891774 0.75000000000000 0.06683042962045 15.999 > 12 46 O 0.97058528891774 0.75000000000000 0.06683042962045 15.999 > 12 47 O 0.47058528891774 0.75000000000000 0.56683042962045 15.999 > 12 48 O 0.97058528891774 0.75000000000000 0.56683042962045 15.999 > 12 *49 O 0.40322922708076 0.92997034297708 0.34522683320821 15.999 > 13 50 O 0.90322922708076 0.92997034297708 0.34522683320821 15.999 > 13 51 O 0.40322922708076 0.92997034297708 0.84522683320821 15.999 > 13 52 O 0.90322922708076 0.92997034297708 0.84522683320821 15.999 > 13 53 O 0.34677077291924 0.07002965702292 0.09522683320821 15.999 > 14 54 O 0.84677077291924 0.07002965702292 0.09522683320821 15.999 > 14 55 O 0.34677077291924 0.07002965702292 0.59522683320821 15.999 > 14 56 O 0.84677077291924 0.07002965702292 0.59522683320821 15.999 > 14 57 O 0.15322922708076 0.57002965702292 0.40477316679179 15.999 > 15 58 O 0.65322922708076 0.57002965702292 0.40477316679179 15.999 > 15 59 O 0.15322922708076 0.57002965702292 0.90477316679179 15.999 > 15 60 O 0.65322922708076 0.57002965702292 0.90477316679179 15.999 > 15 61 O 0.09677077291924 0.42997034297708 0.15477316679179 15.999 > 16 62 O 0.59677077291924 0.42997034297708 0.15477316679179 15.999 > 16 63 O 0.09677077291924 0.42997034297708 0.65477316679179 15.999 > 16 64 O 0.59677077291924 0.42997034297708 0.65477316679179 15.999 > 16 65 O 0.09677077291924 0.07002965702292 0.15477316679179 15.999 > 17 66 O 0.59677077291924 0.07002965702292 0.15477316679179 15.999 > 17 67 O 0.09677077291924 0.07002965702292 0.65477316679179 15.999 > 17 68 O 0.59677077291924 0.07002965702292 0.65477316679179 15.999 > 17 69 O 0.15322922708076 0.92997034297708 0.40477316679179 15.999 > 18 70 O 0.65322922708076 0.92997034297708 0.40477316679179 15.999 > 18 71 O 0.15322922708076 0.92997034297708 0.90477316679179 15.999 > 18 72 O 0.65322922708076 0.92997034297708 0.90477316679179 15.999 > 18 73 O 0.34677077291924 0.42997034297708 0.09522683320821 15.999 > 19 74 O 0.84677077291924 0.42997034297708 0.09522683320821 15.999 > 19 75 O 0.34677077291924 0.42997034297708 0.59522683320821 15.999 > 19 76 O 0.84677077291924 0.42997034297708 0.59522683320821 15.999 > 19 77 O 0.40322922708076 0.57002965702292 0.34522683320821 15.999 > 20 78 O 0.90322922708076 0.57002965702292 0.34522683320821 15.999 > 20 79 O 0.40322922708076 0.57002965702292 0.84522683320821 15.999 > 20 80 O 0.90322922708076 0.57002965702292 0.84522683320821 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8475517 0.0000000 0.0000000 0.0000000 4.5808672 0.0000000 0.0000000 0.0000000 4.8479503 -------------------------- Born effective charges -------------------------- 1 Ho 3.9929732 0.0000000 0.1304278 0.0000000 3.3948908 0.0000000 0.2286252 0.0000000 3.9891185 2 Ho 3.9929732 0.0000000 -0.1304278 0.0000000 3.3948908 0.0000000 -0.2286252 0.0000000 3.9891185 3 Ho 3.9929732 0.0000000 -0.1304278 0.0000000 3.3948908 0.0000000 -0.2286252 0.0000000 3.9891185 4 Ho 3.9929732 0.0000000 0.1304278 0.0000000 3.3948908 0.0000000 0.2286252 0.0000000 3.9891185 5 Sc 4.1404965 0.1036383 -0.0799665 0.1553103 3.9081697 0.0525873 -0.1996472 0.2757659 4.0598758 6 Sc 4.1404965 0.1036383 0.0799665 0.1553103 3.9081697 -0.0525873 0.1996472 -0.2757659 4.0598758 7 Sc 4.1404965 -0.1036383 0.0799665 -0.1553103 3.9081697 0.0525873 0.1996472 0.2757659 4.0598758 8 Sc 4.1404965 -0.1036383 -0.0799665 -0.1553103 3.9081697 -0.0525873 -0.1996472 -0.2757659 4.0598758 9 O -2.1940518 0.0000000 -0.4806104 0.0000000 -2.9846148 0.0000000 -0.4231348 0.0000000 -2.6666978 10 O -2.1940518 0.0000000 0.4806104 0.0000000 -2.9846148 0.0000000 0.4231348 0.0000000 -2.6666978 11 O -2.1940518 0.0000000 0.4806104 0.0000000 -2.9846148 0.0000000 0.4231348 0.0000000 -2.6666978 12 O -2.1940518 0.0000000 -0.4806104 0.0000000 -2.9846148 0.0000000 -0.4231348 0.0000000 -2.6666978 13 O -2.9697089 0.2267540 -0.4320185 0.2385467 -2.1592228 -0.0421498 -0.4062581 0.0028486 -2.6911483 14 O -2.9697089 0.2267540 0.4320185 0.2385467 -2.1592228 0.0421498 0.4062581 -0.0028486 -2.6911483 15 O -2.9697089 -0.2267540 0.4320185 -0.2385467 -2.1592228 -0.0421498 0.4062581 0.0028486 -2.6911483 16 O -2.9697089 -0.2267540 -0.4320185 -0.2385467 -2.1592228 0.0421498 -0.4062581 -0.0028486 -2.6911483 17 O -2.9697089 0.2267540 -0.4320185 0.2385467 -2.1592228 -0.0421498 -0.4062581 0.0028486 -2.6911483 18 O -2.9697089 0.2267540 0.4320185 0.2385467 -2.1592228 0.0421498 0.4062581 -0.0028486 -2.6911483 19 O -2.9697089 -0.2267540 0.4320185 -0.2385467 -2.1592228 -0.0421498 0.4062581 0.0028486 -2.6911483 20 O -2.9697089 -0.2267540 -0.4320185 -0.2385467 -2.1592228 0.0421498 -0.4062581 -0.0028486 -2.6911483 ---------------------------------------------------------------------------- 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: 0.720 Solver_block: 200 / 320 - Time: 0.727 Solver_block: 300 / 320 - Time: 0.727 Solver_block: 320 / 320 - Time: 0.181 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.373 --------------------------------- 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 2026-01-08 09:02:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:02:02]------------------------- 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 5.673738570000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.864041300000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.368733500000000 Atomic positions (fractional): 1 Ho 0.43558613575060 0.25000000000000 0.02165309630567 164.930 2 Ho 0.06441386424940 0.75000000000000 0.52165309630567 164.930 3 Ho 0.93558613575060 0.25000000000000 0.47834690369433 164.930 4 Ho 0.56441386424940 0.75000000000000 0.97834690369433 164.930 5 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 6 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 7 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 8 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 9 O 0.05882942216453 0.25000000000000 0.86633914075911 15.999 10 O 0.44117057783547 0.75000000000000 0.36633914075911 15.999 11 O 0.55882942216453 0.25000000000000 0.63366085924089 15.999 12 O 0.94117057783547 0.75000000000000 0.13366085924089 15.999 13 O 0.80645845416153 0.92997034297708 0.69045366641642 15.999 14 O 0.69354154583847 0.07002965702292 0.19045366641642 15.999 15 O 0.30645845416153 0.57002965702292 0.80954633358358 15.999 16 O 0.19354154583847 0.42997034297708 0.30954633358358 15.999 17 O 0.19354154583847 0.07002965702292 0.30954633358358 15.999 18 O 0.30645845416153 0.92997034297708 0.80954633358358 15.999 19 O 0.69354154583847 0.42997034297708 0.19045366641642 15.999 20 O 0.80645845416153 0.57002965702292 0.69045366641642 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.347477140000002 0.000000000000000 0.000000000000000 b 0.000000000000000 7.864041300000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.737467000000001 Atomic positions (fractional): 1 Ho 0.21779306787530 0.25000000000000 0.01082654815283 164.930 > 1 2 Ho 0.71779306787530 0.25000000000000 0.01082654815283 164.930 > 1 3 Ho 0.21779306787530 0.25000000000000 0.51082654815284 164.930 > 1 4 Ho 0.71779306787530 0.25000000000000 0.51082654815284 164.930 > 1 5 Ho 0.03220693212470 0.75000000000000 0.26082654815284 164.930 > 5 6 Ho 0.53220693212470 0.75000000000000 0.26082654815284 164.930 > 5 7 Ho 0.03220693212470 0.75000000000000 0.76082654815284 164.930 > 5 8 Ho 0.53220693212470 0.75000000000000 0.76082654815284 164.930 > 5 9 Ho 0.46779306787530 0.25000000000000 0.23917345184716 164.930 > 9 10 Ho 0.96779306787530 0.25000000000000 0.23917345184716 164.930 > 9 11 Ho 0.46779306787530 0.25000000000000 0.73917345184716 164.930 > 9 12 Ho 0.96779306787530 0.25000000000000 0.73917345184716 164.930 > 9 13 Ho 0.28220693212470 0.75000000000000 0.48917345184716 164.930 > 13 14 Ho 0.78220693212470 0.75000000000000 0.48917345184716 164.930 > 13 15 Ho 0.28220693212470 0.75000000000000 0.98917345184716 164.930 > 13 16 Ho 0.78220693212470 0.75000000000000 0.98917345184716 164.930 > 13 17 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 17 18 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 17 19 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 17 20 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 17 21 Sc 0.25000000000000 0.00000000000000 0.25000000000000 44.956 > 21 22 Sc 0.75000000000000 0.00000000000000 0.25000000000000 44.956 > 21 23 Sc 0.25000000000000 0.00000000000000 0.75000000000000 44.956 > 21 24 Sc 0.75000000000000 0.00000000000000 0.75000000000000 44.956 > 21 25 Sc 0.25000000000000 0.50000000000000 0.25000000000000 44.956 > 25 26 Sc 0.75000000000000 0.50000000000000 0.25000000000000 44.956 > 25 27 Sc 0.25000000000000 0.50000000000000 0.75000000000000 44.956 > 25 28 Sc 0.75000000000000 0.50000000000000 0.75000000000000 44.956 > 25 29 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 29 30 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 29 31 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 29 32 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 29 33 O 0.02941471108226 0.25000000000000 0.43316957037955 15.999 > 33 34 O 0.52941471108226 0.25000000000000 0.43316957037955 15.999 > 33 35 O 0.02941471108226 0.25000000000000 0.93316957037955 15.999 > 33 36 O 0.52941471108226 0.25000000000000 0.93316957037955 15.999 > 33 37 O 0.22058528891774 0.75000000000000 0.18316957037955 15.999 > 37 38 O 0.72058528891774 0.75000000000000 0.18316957037955 15.999 > 37 39 O 0.22058528891774 0.75000000000000 0.68316957037955 15.999 > 37 40 O 0.72058528891774 0.75000000000000 0.68316957037955 15.999 > 37 41 O 0.27941471108226 0.25000000000000 0.31683042962045 15.999 > 41 42 O 0.77941471108226 0.25000000000000 0.31683042962045 15.999 > 41 43 O 0.27941471108226 0.25000000000000 0.81683042962045 15.999 > 41 44 O 0.77941471108226 0.25000000000000 0.81683042962045 15.999 > 41 45 O 0.47058528891774 0.75000000000000 0.06683042962045 15.999 > 45 46 O 0.97058528891774 0.75000000000000 0.06683042962045 15.999 > 45 47 O 0.47058528891774 0.75000000000000 0.56683042962045 15.999 > 45 48 O 0.97058528891774 0.75000000000000 0.56683042962045 15.999 > 45 49 O 0.40322922708076 0.92997034297708 0.34522683320821 15.999 > 49 50 O 0.90322922708076 0.92997034297708 0.34522683320821 15.999 > 49 51 O 0.40322922708076 0.92997034297708 0.84522683320821 15.999 > 49 52 O 0.90322922708076 0.92997034297708 0.84522683320821 15.999 > 49 53 O 0.34677077291924 0.07002965702292 0.09522683320821 15.999 > 53 54 O 0.84677077291924 0.07002965702292 0.09522683320821 15.999 > 53 55 O 0.34677077291924 0.07002965702292 0.59522683320821 15.999 > 53 56 O 0.84677077291924 0.07002965702292 0.59522683320821 15.999 > 53 57 O 0.15322922708076 0.57002965702292 0.40477316679179 15.999 > 57 58 O 0.65322922708076 0.57002965702292 0.40477316679179 15.999 > 57 59 O 0.15322922708076 0.57002965702292 0.90477316679179 15.999 > 57 60 O 0.65322922708076 0.57002965702292 0.90477316679179 15.999 > 57 61 O 0.09677077291924 0.42997034297708 0.15477316679179 15.999 > 61 62 O 0.59677077291924 0.42997034297708 0.15477316679179 15.999 > 61 63 O 0.09677077291924 0.42997034297708 0.65477316679179 15.999 > 61 64 O 0.59677077291924 0.42997034297708 0.65477316679179 15.999 > 61 65 O 0.09677077291924 0.07002965702292 0.15477316679179 15.999 > 65 66 O 0.59677077291924 0.07002965702292 0.15477316679179 15.999 > 65 67 O 0.09677077291924 0.07002965702292 0.65477316679179 15.999 > 65 68 O 0.59677077291924 0.07002965702292 0.65477316679179 15.999 > 65 69 O 0.15322922708076 0.92997034297708 0.40477316679179 15.999 > 69 70 O 0.65322922708076 0.92997034297708 0.40477316679179 15.999 > 69 71 O 0.15322922708076 0.92997034297708 0.90477316679179 15.999 > 69 72 O 0.65322922708076 0.92997034297708 0.90477316679179 15.999 > 69 73 O 0.34677077291924 0.42997034297708 0.09522683320821 15.999 > 73 74 O 0.84677077291924 0.42997034297708 0.09522683320821 15.999 > 73 75 O 0.34677077291924 0.42997034297708 0.59522683320821 15.999 > 73 76 O 0.84677077291924 0.42997034297708 0.59522683320821 15.999 > 73 77 O 0.40322922708076 0.57002965702292 0.34522683320821 15.999 > 77 78 O 0.90322922708076 0.57002965702292 0.34522683320821 15.999 > 77 79 O 0.40322922708076 0.57002965702292 0.84522683320821 15.999 > 77 80 O 0.90322922708076 0.57002965702292 0.84522683320821 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8475517 0.0000000 0.0000000 0.0000000 4.5808672 0.0000000 0.0000000 0.0000000 4.8479503 -------------------------- Born effective charges -------------------------- 1 Ho 3.9929732 0.0000000 0.1304278 0.0000000 3.3948908 0.0000000 0.2286252 0.0000000 3.9891185 2 Ho 3.9929732 0.0000000 -0.1304278 0.0000000 3.3948908 0.0000000 -0.2286252 0.0000000 3.9891185 3 Ho 3.9929732 0.0000000 -0.1304278 0.0000000 3.3948908 0.0000000 -0.2286252 0.0000000 3.9891185 4 Ho 3.9929732 0.0000000 0.1304278 0.0000000 3.3948908 0.0000000 0.2286252 0.0000000 3.9891185 5 Sc 4.1404965 0.1036383 -0.0799665 0.1553103 3.9081697 0.0525873 -0.1996472 0.2757659 4.0598758 6 Sc 4.1404965 0.1036383 0.0799665 0.1553103 3.9081697 -0.0525873 0.1996472 -0.2757659 4.0598758 7 Sc 4.1404965 -0.1036383 0.0799665 -0.1553103 3.9081697 0.0525873 0.1996472 0.2757659 4.0598758 8 Sc 4.1404965 -0.1036383 -0.0799665 -0.1553103 3.9081697 -0.0525873 -0.1996472 -0.2757659 4.0598758 9 O -2.1940518 0.0000000 -0.4806104 0.0000000 -2.9846148 0.0000000 -0.4231348 0.0000000 -2.6666978 10 O -2.1940518 0.0000000 0.4806104 0.0000000 -2.9846148 0.0000000 0.4231348 0.0000000 -2.6666978 11 O -2.1940518 0.0000000 0.4806104 0.0000000 -2.9846148 0.0000000 0.4231348 0.0000000 -2.6666978 12 O -2.1940518 0.0000000 -0.4806104 0.0000000 -2.9846148 0.0000000 -0.4231348 0.0000000 -2.6666978 13 O -2.9697089 0.2267540 -0.4320185 0.2385467 -2.1592228 -0.0421498 -0.4062581 0.0028486 -2.6911483 14 O -2.9697089 0.2267540 0.4320185 0.2385467 -2.1592228 0.0421498 0.4062581 -0.0028486 -2.6911483 15 O -2.9697089 -0.2267540 0.4320185 -0.2385467 -2.1592228 -0.0421498 0.4062581 0.0028486 -2.6911483 16 O -2.9697089 -0.2267540 -0.4320185 -0.2385467 -2.1592228 0.0421498 -0.4062581 -0.0028486 -2.6911483 17 O -2.9697089 0.2267540 -0.4320185 0.2385467 -2.1592228 -0.0421498 -0.4062581 0.0028486 -2.6911483 18 O -2.9697089 0.2267540 0.4320185 0.2385467 -2.1592228 0.0421498 0.4062581 -0.0028486 -2.6911483 19 O -2.9697089 -0.2267540 0.4320185 -0.2385467 -2.1592228 -0.0421498 0.4062581 0.0028486 -2.6911483 20 O -2.9697089 -0.2267540 -0.4320185 -0.2385467 -2.1592228 0.0421498 -0.4062581 -0.0028486 -2.6911483 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (yz) 0.00000005 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:02:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:02:12]------------------------- 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 5.673738570000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.864041300000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.368733500000000 Atomic positions (fractional): 1 Ho 0.43558613575060 0.25000000000000 0.02165309630567 164.930 2 Ho 0.06441386424940 0.75000000000000 0.52165309630567 164.930 3 Ho 0.93558613575060 0.25000000000000 0.47834690369433 164.930 4 Ho 0.56441386424940 0.75000000000000 0.97834690369433 164.930 5 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 6 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 7 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 8 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 9 O 0.05882942216453 0.25000000000000 0.86633914075911 15.999 10 O 0.44117057783547 0.75000000000000 0.36633914075911 15.999 11 O 0.55882942216453 0.25000000000000 0.63366085924089 15.999 12 O 0.94117057783547 0.75000000000000 0.13366085924089 15.999 13 O 0.80645845416153 0.92997034297708 0.69045366641642 15.999 14 O 0.69354154583847 0.07002965702292 0.19045366641642 15.999 15 O 0.30645845416153 0.57002965702292 0.80954633358358 15.999 16 O 0.19354154583847 0.42997034297708 0.30954633358358 15.999 17 O 0.19354154583847 0.07002965702292 0.30954633358358 15.999 18 O 0.30645845416153 0.92997034297708 0.80954633358358 15.999 19 O 0.69354154583847 0.42997034297708 0.19045366641642 15.999 20 O 0.80645845416153 0.57002965702292 0.69045366641642 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.347477140000002 0.000000000000000 0.000000000000000 b 0.000000000000000 7.864041300000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.737467000000001 Atomic positions (fractional): 1 Ho 0.21779306787530 0.25000000000000 0.01082654815283 164.930 > 1 2 Ho 0.71779306787530 0.25000000000000 0.01082654815283 164.930 > 1 3 Ho 0.21779306787530 0.25000000000000 0.51082654815284 164.930 > 1 4 Ho 0.71779306787530 0.25000000000000 0.51082654815284 164.930 > 1 5 Ho 0.03220693212470 0.75000000000000 0.26082654815284 164.930 > 5 6 Ho 0.53220693212470 0.75000000000000 0.26082654815284 164.930 > 5 7 Ho 0.03220693212470 0.75000000000000 0.76082654815284 164.930 > 5 8 Ho 0.53220693212470 0.75000000000000 0.76082654815284 164.930 > 5 9 Ho 0.46779306787530 0.25000000000000 0.23917345184716 164.930 > 9 10 Ho 0.96779306787530 0.25000000000000 0.23917345184716 164.930 > 9 11 Ho 0.46779306787530 0.25000000000000 0.73917345184716 164.930 > 9 12 Ho 0.96779306787530 0.25000000000000 0.73917345184716 164.930 > 9 13 Ho 0.28220693212470 0.75000000000000 0.48917345184716 164.930 > 13 14 Ho 0.78220693212470 0.75000000000000 0.48917345184716 164.930 > 13 15 Ho 0.28220693212470 0.75000000000000 0.98917345184716 164.930 > 13 16 Ho 0.78220693212470 0.75000000000000 0.98917345184716 164.930 > 13 17 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 17 18 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 17 19 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 17 20 Sc 0.50000000000000 0.00000000000000 0.50000000000000 44.956 > 17 21 Sc 0.25000000000000 0.00000000000000 0.25000000000000 44.956 > 21 22 Sc 0.75000000000000 0.00000000000000 0.25000000000000 44.956 > 21 23 Sc 0.25000000000000 0.00000000000000 0.75000000000000 44.956 > 21 24 Sc 0.75000000000000 0.00000000000000 0.75000000000000 44.956 > 21 25 Sc 0.25000000000000 0.50000000000000 0.25000000000000 44.956 > 25 26 Sc 0.75000000000000 0.50000000000000 0.25000000000000 44.956 > 25 27 Sc 0.25000000000000 0.50000000000000 0.75000000000000 44.956 > 25 28 Sc 0.75000000000000 0.50000000000000 0.75000000000000 44.956 > 25 29 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 29 30 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 29 31 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 29 32 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 29 33 O 0.02941471108226 0.25000000000000 0.43316957037955 15.999 > 33 34 O 0.52941471108226 0.25000000000000 0.43316957037955 15.999 > 33 35 O 0.02941471108226 0.25000000000000 0.93316957037955 15.999 > 33 36 O 0.52941471108226 0.25000000000000 0.93316957037955 15.999 > 33 37 O 0.22058528891774 0.75000000000000 0.18316957037955 15.999 > 37 38 O 0.72058528891774 0.75000000000000 0.18316957037955 15.999 > 37 39 O 0.22058528891774 0.75000000000000 0.68316957037955 15.999 > 37 40 O 0.72058528891774 0.75000000000000 0.68316957037955 15.999 > 37 41 O 0.27941471108226 0.25000000000000 0.31683042962045 15.999 > 41 42 O 0.77941471108226 0.25000000000000 0.31683042962045 15.999 > 41 43 O 0.27941471108226 0.25000000000000 0.81683042962045 15.999 > 41 44 O 0.77941471108226 0.25000000000000 0.81683042962045 15.999 > 41 45 O 0.47058528891774 0.75000000000000 0.06683042962045 15.999 > 45 46 O 0.97058528891774 0.75000000000000 0.06683042962045 15.999 > 45 47 O 0.47058528891774 0.75000000000000 0.56683042962045 15.999 > 45 48 O 0.97058528891774 0.75000000000000 0.56683042962045 15.999 > 45 49 O 0.40322922708076 0.92997034297708 0.34522683320821 15.999 > 49 50 O 0.90322922708076 0.92997034297708 0.34522683320821 15.999 > 49 51 O 0.40322922708076 0.92997034297708 0.84522683320821 15.999 > 49 52 O 0.90322922708076 0.92997034297708 0.84522683320821 15.999 > 49 53 O 0.34677077291924 0.07002965702292 0.09522683320821 15.999 > 53 54 O 0.84677077291924 0.07002965702292 0.09522683320821 15.999 > 53 55 O 0.34677077291924 0.07002965702292 0.59522683320821 15.999 > 53 56 O 0.84677077291924 0.07002965702292 0.59522683320821 15.999 > 53 57 O 0.15322922708076 0.57002965702292 0.40477316679179 15.999 > 57 58 O 0.65322922708076 0.57002965702292 0.40477316679179 15.999 > 57 59 O 0.15322922708076 0.57002965702292 0.90477316679179 15.999 > 57 60 O 0.65322922708076 0.57002965702292 0.90477316679179 15.999 > 57 61 O 0.09677077291924 0.42997034297708 0.15477316679179 15.999 > 61 62 O 0.59677077291924 0.42997034297708 0.15477316679179 15.999 > 61 63 O 0.09677077291924 0.42997034297708 0.65477316679179 15.999 > 61 64 O 0.59677077291924 0.42997034297708 0.65477316679179 15.999 > 61 65 O 0.09677077291924 0.07002965702292 0.15477316679179 15.999 > 65 66 O 0.59677077291924 0.07002965702292 0.15477316679179 15.999 > 65 67 O 0.09677077291924 0.07002965702292 0.65477316679179 15.999 > 65 68 O 0.59677077291924 0.07002965702292 0.65477316679179 15.999 > 65 69 O 0.15322922708076 0.92997034297708 0.40477316679179 15.999 > 69 70 O 0.65322922708076 0.92997034297708 0.40477316679179 15.999 > 69 71 O 0.15322922708076 0.92997034297708 0.90477316679179 15.999 > 69 72 O 0.65322922708076 0.92997034297708 0.90477316679179 15.999 > 69 73 O 0.34677077291924 0.42997034297708 0.09522683320821 15.999 > 73 74 O 0.84677077291924 0.42997034297708 0.09522683320821 15.999 > 73 75 O 0.34677077291924 0.42997034297708 0.59522683320821 15.999 > 73 76 O 0.84677077291924 0.42997034297708 0.59522683320821 15.999 > 73 77 O 0.40322922708076 0.57002965702292 0.34522683320821 15.999 > 77 78 O 0.90322922708076 0.57002965702292 0.34522683320821 15.999 > 77 79 O 0.40322922708076 0.57002965702292 0.84522683320821 15.999 > 77 80 O 0.90322922708076 0.57002965702292 0.84522683320821 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8475517 0.0000000 0.0000000 0.0000000 4.5808672 0.0000000 0.0000000 0.0000000 4.8479503 -------------------------- Born effective charges -------------------------- 1 Ho 3.9929732 0.0000000 0.1304278 0.0000000 3.3948908 0.0000000 0.2286252 0.0000000 3.9891185 2 Ho 3.9929732 0.0000000 -0.1304278 0.0000000 3.3948908 0.0000000 -0.2286252 0.0000000 3.9891185 3 Ho 3.9929732 0.0000000 -0.1304278 0.0000000 3.3948908 0.0000000 -0.2286252 0.0000000 3.9891185 4 Ho 3.9929732 0.0000000 0.1304278 0.0000000 3.3948908 0.0000000 0.2286252 0.0000000 3.9891185 5 Sc 4.1404965 0.1036383 -0.0799665 0.1553103 3.9081697 0.0525873 -0.1996472 0.2757659 4.0598758 6 Sc 4.1404965 0.1036383 0.0799665 0.1553103 3.9081697 -0.0525873 0.1996472 -0.2757659 4.0598758 7 Sc 4.1404965 -0.1036383 0.0799665 -0.1553103 3.9081697 0.0525873 0.1996472 0.2757659 4.0598758 8 Sc 4.1404965 -0.1036383 -0.0799665 -0.1553103 3.9081697 -0.0525873 -0.1996472 -0.2757659 4.0598758 9 O -2.1940518 0.0000000 -0.4806104 0.0000000 -2.9846148 0.0000000 -0.4231348 0.0000000 -2.6666978 10 O -2.1940518 0.0000000 0.4806104 0.0000000 -2.9846148 0.0000000 0.4231348 0.0000000 -2.6666978 11 O -2.1940518 0.0000000 0.4806104 0.0000000 -2.9846148 0.0000000 0.4231348 0.0000000 -2.6666978 12 O -2.1940518 0.0000000 -0.4806104 0.0000000 -2.9846148 0.0000000 -0.4231348 0.0000000 -2.6666978 13 O -2.9697089 0.2267540 -0.4320185 0.2385467 -2.1592228 -0.0421498 -0.4062581 0.0028486 -2.6911483 14 O -2.9697089 0.2267540 0.4320185 0.2385467 -2.1592228 0.0421498 0.4062581 -0.0028486 -2.6911483 15 O -2.9697089 -0.2267540 0.4320185 -0.2385467 -2.1592228 -0.0421498 0.4062581 0.0028486 -2.6911483 16 O -2.9697089 -0.2267540 -0.4320185 -0.2385467 -2.1592228 0.0421498 -0.4062581 -0.0028486 -2.6911483 17 O -2.9697089 0.2267540 -0.4320185 0.2385467 -2.1592228 -0.0421498 -0.4062581 0.0028486 -2.6911483 18 O -2.9697089 0.2267540 0.4320185 0.2385467 -2.1592228 0.0421498 0.4062581 -0.0028486 -2.6911483 19 O -2.9697089 -0.2267540 0.4320185 -0.2385467 -2.1592228 -0.0421498 0.4062581 0.0028486 -2.6911483 20 O -2.9697089 -0.2267540 -0.4320185 -0.2385467 -2.1592228 0.0421498 -0.4062581 -0.0028486 -2.6911483 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) 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: 0.67, Number of G-points: 307, Lambda: 0.15 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.606 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.241 ( 0.000 0.000 0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.327 ( 0.000 0.000 0.000) 0.000 11.489 ( 0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 12.767 ( 0.000 0.000 0.000) 0.000 13.200 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.304 ( 0.000 0.000 0.000) 0.000 13.400 ( 0.000 0.000 0.000) 0.000 13.775 ( 0.000 0.000 0.000) 0.000 13.874 ( 0.000 0.000 0.000) 0.000 13.988 ( 0.000 0.000 0.000) 0.000 14.086 ( 0.000 0.000 0.000) 0.000 14.274 ( 0.000 0.000 0.000) 0.000 14.935 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 15.115 ( 0.000 0.000 0.000) 0.000 15.263 ( 0.000 0.000 0.000) 0.000 15.424 ( 0.000 0.000 0.000) 0.000 16.244 ( 0.000 0.000 0.000) 0.000 16.280 ( 0.000 0.000 0.000) 0.000 16.657 ( 0.000 0.000 0.000) 0.000 17.805 ( 0.000 0.000 0.000) 0.000 19.820 ( 0.000 0.000 0.000) 0.000 19.844 ( 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 32.873 0.000 0.000) 32.873 0.742 ( 36.977 0.000 0.000) 36.977 1.346 ( 65.639 0.000 0.000) 65.639 2.218 ( 1.065 0.000 0.000) 1.065 2.858 ( -2.310 0.000 0.000) 2.310 2.895 ( -3.383 0.000 0.000) 3.383 3.038 ( -13.402 0.000 0.000) 13.402 3.217 ( -3.853 0.000 0.000) 3.853 3.242 ( -2.546 0.000 0.000) 2.546 3.412 ( 15.765 0.000 0.000) 15.765 3.429 ( 4.984 0.000 0.000) 4.984 3.676 ( -0.121 0.000 0.000) 0.121 4.535 ( 1.807 0.000 0.000) 1.807 4.611 ( -10.020 0.000 0.000) 10.020 5.201 ( 12.902 0.000 0.000) 12.902 5.533 ( 0.025 0.000 0.000) 0.025 6.359 ( 0.111 0.000 0.000) 0.111 6.367 ( 1.086 0.000 0.000) 1.086 6.520 ( 9.373 0.000 0.000) 9.373 7.266 ( -9.222 0.000 0.000) 9.222 7.356 ( 6.023 0.000 0.000) 6.023 7.684 ( 11.726 0.000 0.000) 11.726 8.279 ( 7.352 0.000 0.000) 7.352 8.424 ( -11.485 0.000 0.000) 11.485 8.550 ( 1.183 0.000 0.000) 1.183 8.719 ( 2.787 0.000 0.000) 2.787 8.831 ( -1.943 0.000 0.000) 1.943 9.250 ( -9.100 0.000 0.000) 9.100 9.568 ( -3.446 0.000 0.000) 3.446 10.012 ( 5.926 0.000 0.000) 5.926 10.117 ( 5.673 0.000 0.000) 5.673 10.355 ( 4.753 0.000 0.000) 4.753 10.485 ( -2.250 0.000 0.000) 2.250 10.956 ( 2.131 0.000 0.000) 2.131 11.320 ( -0.859 0.000 0.000) 0.859 11.403 ( -7.589 0.000 0.000) 7.589 11.748 ( 3.403 0.000 0.000) 3.403 11.750 ( -4.303 0.000 0.000) 4.303 12.000 ( -11.827 0.000 0.000) 11.827 12.716 ( -4.661 0.000 0.000) 4.661 13.120 ( -7.333 0.000 0.000) 7.333 13.312 ( -0.250 0.000 0.000) 0.250 13.465 ( 5.952 0.000 0.000) 5.952 13.788 ( 1.265 0.000 0.000) 1.265 13.812 ( -5.578 0.000 0.000) 5.578 13.982 ( -0.478 0.000 0.000) 0.478 14.028 ( -6.420 0.000 0.000) 6.420 14.259 ( -1.540 0.000 0.000) 1.540 14.635 ( 13.299 0.000 0.000) 13.299 14.948 ( 1.157 0.000 0.000) 1.157 15.162 ( 4.840 0.000 0.000) 4.840 15.239 ( -2.284 0.000 0.000) 2.284 15.442 ( 1.886 0.000 0.000) 1.886 16.161 ( -5.176 0.000 0.000) 5.176 16.355 ( 4.207 0.000 0.000) 4.207 16.506 ( -2.602 0.000 0.000) 2.602 17.903 ( 9.974 0.000 0.000) 9.974 19.837 ( -0.898 0.000 0.000) 0.898 19.846 ( 2.586 0.000 0.000) 2.586 20.720 ( -3.451 0.000 0.000) 3.451 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 28.669 0.000 0.000) 28.669 1.426 ( 32.021 0.000 0.000) 32.021 2.193 ( -4.665 0.000 0.000) 4.665 2.474 ( 44.209 0.000 0.000) 44.209 2.705 ( -18.720 0.000 0.000) 18.720 2.804 ( -1.116 0.000 0.000) 1.116 2.844 ( -0.888 0.000 0.000) 0.888 3.135 ( -3.353 0.000 0.000) 3.353 3.180 ( -3.302 0.000 0.000) 3.302 3.563 ( 8.075 0.000 0.000) 8.075 3.696 ( 3.178 0.000 0.000) 3.178 3.761 ( 17.642 0.000 0.000) 17.642 4.348 ( -15.978 0.000 0.000) 15.978 4.563 ( 0.442 0.000 0.000) 0.442 5.540 ( 20.645 0.000 0.000) 20.645 5.615 ( 8.884 0.000 0.000) 8.884 6.397 ( 1.888 0.000 0.000) 1.888 6.401 ( 5.623 0.000 0.000) 5.623 6.696 ( 7.444 0.000 0.000) 7.444 7.100 ( -7.926 0.000 0.000) 7.926 7.465 ( 1.581 0.000 0.000) 1.581 7.912 ( 11.185 0.000 0.000) 11.185 8.213 ( -5.626 0.000 0.000) 5.626 8.488 ( 13.545 0.000 0.000) 13.545 8.554 ( -1.560 0.000 0.000) 1.560 8.742 ( -8.600 0.000 0.000) 8.600 8.785 ( 3.656 0.000 0.000) 3.656 9.062 ( -8.005 0.000 0.000) 8.005 9.496 ( -3.201 0.000 0.000) 3.201 10.126 ( 4.626 0.000 0.000) 4.626 10.210 ( 0.720 0.000 0.000) 0.720 10.415 ( -1.145 0.000 0.000) 1.145 10.439 ( -0.106 0.000 0.000) 0.106 11.001 ( 2.002 0.000 0.000) 2.002 11.256 ( -5.342 0.000 0.000) 5.342 11.290 ( -1.961 0.000 0.000) 1.961 11.634 ( -7.098 0.000 0.000) 7.098 11.735 ( -13.861 0.000 0.000) 13.861 11.836 ( 5.672 0.000 0.000) 5.672 12.604 ( -6.506 0.000 0.000) 6.506 12.991 ( -4.315 0.000 0.000) 4.315 13.269 ( -3.882 0.000 0.000) 3.882 13.603 ( 7.533 0.000 0.000) 7.533 13.677 ( -8.004 0.000 0.000) 8.004 13.820 ( 1.942 0.000 0.000) 1.942 13.832 ( -12.999 0.000 0.000) 12.999 13.976 ( 0.141 0.000 0.000) 0.141 14.217 ( -2.598 0.000 0.000) 2.598 14.956 ( 17.675 0.000 0.000) 17.675 14.970 ( 0.890 0.000 0.000) 0.890 15.179 ( -3.726 0.000 0.000) 3.726 15.288 ( 7.172 0.000 0.000) 7.172 15.507 ( 5.251 0.000 0.000) 5.251 16.061 ( -4.597 0.000 0.000) 4.597 16.415 ( 1.440 0.000 0.000) 1.440 16.431 ( -5.020 0.000 0.000) 5.020 18.186 ( 18.372 0.000 0.000) 18.372 19.794 ( -3.931 0.000 0.000) 3.931 19.918 ( 4.756 0.000 0.000) 4.756 20.624 ( -6.178 0.000 0.000) 6.178 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 23.000 0.000 0.000) 23.000 1.911 ( 12.413 0.000 0.000) 12.413 2.044 ( -9.168 0.000 0.000) 9.168 2.431 ( -3.200 0.000 0.000) 3.200 2.639 ( -7.142 0.000 0.000) 7.142 2.851 ( 0.439 0.000 0.000) 0.439 3.010 ( 2.485 0.000 0.000) 2.485 3.123 ( -2.425 0.000 0.000) 2.425 3.234 ( 12.903 0.000 0.000) 12.903 3.706 ( 4.348 0.000 0.000) 4.348 3.849 ( 11.674 0.000 0.000) 11.674 4.037 ( -13.131 0.000 0.000) 13.131 4.055 ( 12.326 0.000 0.000) 12.326 4.534 ( -3.666 0.000 0.000) 3.666 5.869 ( 16.078 0.000 0.000) 16.078 5.971 ( 22.416 0.000 0.000) 22.416 6.432 ( 1.159 0.000 0.000) 1.159 6.639 ( 18.774 0.000 0.000) 18.774 6.799 ( 3.332 0.000 0.000) 3.332 6.951 ( -6.574 0.000 0.000) 6.574 7.313 ( -15.076 0.000 0.000) 15.076 8.109 ( 8.728 0.000 0.000) 8.728 8.332 ( 15.970 0.000 0.000) 15.970 8.435 ( -19.622 0.000 0.000) 19.622 8.493 ( -7.262 0.000 0.000) 7.262 8.771 ( 13.716 0.000 0.000) 13.716 8.854 ( 3.294 0.000 0.000) 3.294 8.975 ( -1.795 0.000 0.000) 1.795 9.470 ( 1.083 0.000 0.000) 1.083 10.061 ( -13.506 0.000 0.000) 13.506 10.160 ( -1.640 0.000 0.000) 1.640 10.264 ( -12.721 0.000 0.000) 12.721 10.552 ( 9.569 0.000 0.000) 9.569 11.012 ( -1.529 0.000 0.000) 1.529 11.237 ( 2.623 0.000 0.000) 2.623 11.263 ( -0.327 0.000 0.000) 0.327 11.494 ( -6.641 0.000 0.000) 6.641 11.496 ( -9.880 0.000 0.000) 9.880 11.971 ( 8.016 0.000 0.000) 8.016 12.466 ( -7.530 0.000 0.000) 7.530 12.979 ( 3.064 0.000 0.000) 3.064 13.190 ( -3.243 0.000 0.000) 3.243 13.500 ( -9.892 0.000 0.000) 9.892 13.557 ( -14.047 0.000 0.000) 14.047 13.741 ( 6.266 0.000 0.000) 6.266 13.857 ( 1.648 0.000 0.000) 1.648 13.992 ( 1.495 0.000 0.000) 1.495 14.159 ( -3.287 0.000 0.000) 3.287 14.982 ( 0.430 0.000 0.000) 0.430 15.102 ( -3.908 0.000 0.000) 3.908 15.248 ( 10.633 0.000 0.000) 10.633 15.407 ( 4.189 0.000 0.000) 4.189 15.683 ( 13.262 0.000 0.000) 13.262 16.004 ( -0.594 0.000 0.000) 0.594 16.314 ( -6.789 0.000 0.000) 6.789 16.393 ( -4.103 0.000 0.000) 4.103 18.596 ( 22.661 0.000 0.000) 22.661 19.666 ( -9.550 0.000 0.000) 9.550 20.029 ( 6.474 0.000 0.000) 6.474 20.486 ( -7.794 0.000 0.000) 7.794 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -4.445 0.000 0.000) 4.445 1.901 ( -4.488 0.000 0.000) 4.488 2.170 ( 17.140 0.000 0.000) 17.140 2.453 ( -11.883 0.000 0.000) 11.883 2.618 ( 13.691 0.000 0.000) 13.691 2.811 ( -5.524 0.000 0.000) 5.524 3.042 ( 2.068 0.000 0.000) 2.068 3.083 ( -1.917 0.000 0.000) 1.917 3.410 ( 7.748 0.000 0.000) 7.748 3.602 ( -11.483 0.000 0.000) 11.483 3.978 ( 3.723 0.000 0.000) 3.723 4.009 ( 2.618 0.000 0.000) 2.618 4.260 ( 9.135 0.000 0.000) 9.135 4.423 ( -7.323 0.000 0.000) 7.323 6.193 ( 15.464 0.000 0.000) 15.464 6.384 ( 19.042 0.000 0.000) 19.042 6.406 ( -5.267 0.000 0.000) 5.267 6.695 ( -12.252 0.000 0.000) 12.252 6.856 ( 3.767 0.000 0.000) 3.767 7.011 ( -12.953 0.000 0.000) 12.953 7.244 ( 33.072 0.000 0.000) 33.072 7.909 ( -32.047 0.000 0.000) 32.047 8.255 ( 6.415 0.000 0.000) 6.415 8.374 ( -5.995 0.000 0.000) 5.995 8.701 ( 18.489 0.000 0.000) 18.489 8.912 ( 2.508 0.000 0.000) 2.508 8.923 ( -1.302 0.000 0.000) 1.302 8.950 ( -1.399 0.000 0.000) 1.399 9.555 ( 7.891 0.000 0.000) 7.891 9.775 ( -14.027 0.000 0.000) 14.027 10.048 ( -5.592 0.000 0.000) 5.592 10.075 ( -5.571 0.000 0.000) 5.571 10.753 ( 10.218 0.000 0.000) 10.218 10.927 ( -7.013 0.000 0.000) 7.013 11.283 ( 2.323 0.000 0.000) 2.323 11.308 ( 3.895 0.000 0.000) 3.895 11.353 ( -5.034 0.000 0.000) 5.034 11.387 ( -4.412 0.000 0.000) 4.412 12.139 ( 8.864 0.000 0.000) 8.864 12.310 ( -8.414 0.000 0.000) 8.414 13.092 ( 7.651 0.000 0.000) 7.651 13.170 ( 1.110 0.000 0.000) 1.110 13.306 ( -8.874 0.000 0.000) 8.874 13.320 ( -9.138 0.000 0.000) 9.138 13.839 ( 3.494 0.000 0.000) 3.494 13.874 ( -0.214 0.000 0.000) 0.214 14.033 ( 2.610 0.000 0.000) 2.610 14.093 ( -3.372 0.000 0.000) 3.372 14.995 ( 1.182 0.000 0.000) 1.182 15.034 ( -2.806 0.000 0.000) 2.806 15.384 ( 4.330 0.000 0.000) 4.330 15.437 ( -0.974 0.000 0.000) 0.974 15.983 ( 15.584 0.000 0.000) 15.584 16.049 ( 4.922 0.000 0.000) 4.922 16.174 ( -7.161 0.000 0.000) 7.161 16.247 ( -10.723 0.000 0.000) 10.723 19.037 ( 21.555 0.000 0.000) 21.555 19.413 ( -16.295 0.000 0.000) 16.295 20.169 ( 7.723 0.000 0.000) 7.723 20.327 ( -8.257 0.000 0.000) 8.257 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.000 31.780 0.000) 31.780 0.790 ( 0.000 36.496 0.000) 36.496 1.191 ( 0.000 49.981 0.000) 49.981 2.294 ( 0.000 6.426 0.000) 6.426 2.501 ( 0.000 -17.166 0.000) 17.166 2.975 ( 0.000 3.837 0.000) 3.837 3.141 ( 0.000 -10.793 0.000) 10.793 3.295 ( 0.000 -6.728 0.000) 6.728 3.368 ( 0.000 9.166 0.000) 9.166 3.483 ( 0.000 16.864 0.000) 16.864 3.532 ( 0.000 -10.413 0.000) 10.413 4.493 ( 0.000 -1.898 0.000) 1.898 4.601 ( 0.000 -9.626 0.000) 9.626 4.944 ( 0.000 13.230 0.000) 13.230 5.008 ( 0.000 -5.728 0.000) 5.728 5.655 ( 0.000 9.175 0.000) 9.175 5.819 ( 0.000 -5.191 0.000) 5.191 6.465 ( 0.000 5.282 0.000) 5.282 6.616 ( 0.000 22.912 0.000) 22.912 6.970 ( 0.000 -7.317 0.000) 7.317 7.339 ( 0.000 4.307 0.000) 4.307 7.386 ( 0.000 -7.429 0.000) 7.429 8.219 ( 0.000 -15.817 0.000) 15.817 8.484 ( 0.000 6.375 0.000) 6.375 8.708 ( 0.000 -3.542 0.000) 3.542 8.879 ( 0.000 7.149 0.000) 7.149 9.261 ( 0.000 -3.632 0.000) 3.632 9.303 ( 0.000 -3.663 0.000) 3.663 9.588 ( 0.000 -1.131 0.000) 1.131 9.993 ( 0.000 3.002 0.000) 3.002 10.026 ( 0.000 -2.106 0.000) 2.106 10.133 ( 0.000 -9.273 0.000) 9.273 10.534 ( 0.000 3.264 0.000) 3.264 10.744 ( 0.000 3.200 0.000) 3.200 11.092 ( 0.000 -2.598 0.000) 2.598 11.257 ( 0.000 -6.331 0.000) 6.331 11.600 ( 0.000 9.339 0.000) 9.339 11.876 ( 0.000 7.789 0.000) 7.789 12.857 ( 0.000 8.045 0.000) 8.045 12.986 ( 0.000 -20.940 0.000) 20.940 13.062 ( 0.000 -10.800 0.000) 10.800 13.200 ( 0.000 0.184 0.000) 0.184 13.470 ( 0.000 3.353 0.000) 3.353 13.478 ( 0.000 -4.530 0.000) 4.530 13.958 ( 0.000 -2.192 0.000) 2.192 14.072 ( 0.000 -1.298 0.000) 1.298 14.223 ( 0.000 22.887 0.000) 22.887 14.241 ( 0.000 6.356 0.000) 6.356 14.835 ( 0.000 -5.961 0.000) 5.961 15.044 ( 0.000 3.606 0.000) 3.606 15.165 ( 0.000 4.369 0.000) 4.369 15.284 ( 0.000 1.931 0.000) 1.931 15.421 ( 0.000 -0.174 0.000) 0.174 16.206 ( 0.000 -3.356 0.000) 3.356 16.233 ( 0.000 -4.129 0.000) 4.129 16.456 ( 0.000 -16.748 0.000) 16.748 17.961 ( 0.000 12.533 0.000) 12.533 18.864 ( 0.000 -4.047 0.000) 4.047 19.813 ( 0.000 -0.545 0.000) 0.545 19.834 ( 0.000 -0.860 0.000) 0.860 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 17.856 18.961 0.000) 26.045 0.985 ( 21.746 21.352 0.000) 30.476 1.808 ( 47.089 32.274 0.000) 57.088 2.301 ( 0.507 5.498 0.000) 5.522 2.465 ( -3.630 -18.524 0.000) 18.876 2.936 ( -3.658 3.350 0.000) 4.960 3.069 ( -6.889 -8.094 0.000) 10.629 3.229 ( -4.386 -2.946 0.000) 5.283 3.386 ( -6.100 9.371 0.000) 11.182 3.452 ( 6.194 5.151 0.000) 8.056 3.593 ( 1.925 -1.102 0.000) 2.219 4.295 ( -22.223 45.120 0.000) 50.296 4.474 ( -6.657 -7.243 0.000) 9.837 4.565 ( 1.181 -1.893 0.000) 2.231 5.138 ( 12.604 -5.915 0.000) 13.923 5.581 ( -3.077 3.700 0.000) 4.812 6.182 ( 14.057 -10.298 0.000) 17.426 6.557 ( 7.907 3.562 0.000) 8.672 6.626 ( 1.003 22.926 0.000) 22.948 7.053 ( 0.261 -12.092 0.000) 12.095 7.403 ( 6.062 4.276 0.000) 7.418 7.535 ( 13.761 -9.735 0.000) 16.856 8.197 ( -2.629 -13.466 0.000) 13.720 8.467 ( 0.328 8.405 0.000) 8.412 8.667 ( -4.163 -0.503 0.000) 4.193 8.829 ( -3.848 3.138 0.000) 4.966 8.992 ( -10.476 12.439 0.000) 16.262 9.214 ( -8.505 -2.940 0.000) 8.999 9.569 ( -1.220 1.252 0.000) 1.748 10.023 ( 3.851 0.173 0.000) 3.855 10.096 ( 4.884 -1.788 0.000) 5.201 10.318 ( 9.292 -5.501 0.000) 10.798 10.526 ( -0.893 4.250 0.000) 4.343 10.801 ( 3.172 -8.489 0.000) 9.062 11.174 ( 1.866 -11.583 0.000) 11.732 11.245 ( -1.284 -6.636 0.000) 6.760 11.620 ( 2.097 8.365 0.000) 8.624 11.835 ( -4.105 7.895 0.000) 8.898 12.600 ( -25.206 15.411 0.000) 29.544 12.806 ( -4.715 7.925 0.000) 9.222 13.003 ( -5.574 -9.577 0.000) 11.081 13.132 ( -0.895 -11.055 0.000) 11.092 13.510 ( 4.087 2.138 0.000) 4.613 13.534 ( -0.046 -9.246 0.000) 9.247 13.922 ( -4.307 -3.385 0.000) 5.478 14.044 ( -2.270 0.093 0.000) 2.272 14.180 ( -5.509 14.920 0.000) 15.905 14.282 ( 0.663 7.075 0.000) 7.106 14.782 ( 4.366 5.582 0.000) 7.086 14.988 ( 0.220 5.166 0.000) 5.171 15.210 ( 4.340 4.032 0.000) 5.924 15.265 ( -1.883 2.372 0.000) 3.029 15.438 ( 1.677 -0.397 0.000) 1.723 16.122 ( -5.070 -3.301 0.000) 6.050 16.305 ( 3.791 -4.553 0.000) 5.925 16.367 ( -3.282 -12.621 0.000) 13.040 18.042 ( 8.904 11.728 0.000) 14.725 19.773 ( 42.007 -48.108 0.000) 63.866 19.829 ( -0.450 -0.691 0.000) 0.824 19.838 ( 2.154 -0.685 0.000) 2.260 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 18.342 2.254 0.000) 18.480 1.490 ( 26.671 6.127 0.000) 27.366 2.304 ( -0.268 6.906 0.000) 6.911 2.315 ( -8.839 -19.692 0.000) 21.585 2.702 ( 33.313 16.039 0.000) 36.973 2.857 ( -3.712 0.495 0.000) 3.745 2.921 ( -5.243 -2.277 0.000) 5.716 3.149 ( -3.455 -2.308 0.000) 4.155 3.283 ( -3.119 10.640 0.000) 11.088 3.581 ( 6.434 2.717 0.000) 6.984 3.605 ( 1.418 -2.777 0.000) 3.118 4.214 ( 6.934 34.386 0.000) 35.078 4.242 ( -15.084 -7.599 0.000) 16.890 4.642 ( 4.882 5.436 0.000) 7.306 5.465 ( 19.706 -6.739 0.000) 20.826 5.629 ( 8.750 0.998 0.000) 8.807 6.367 ( 8.333 -1.137 0.000) 8.410 6.650 ( 1.126 22.449 0.000) 22.477 6.763 ( 11.366 3.876 0.000) 12.009 6.990 ( -4.579 -8.934 0.000) 10.039 7.518 ( 2.672 4.666 0.000) 5.377 7.795 ( 11.762 -10.553 0.000) 15.803 8.141 ( -0.175 -5.892 0.000) 5.895 8.553 ( 8.198 5.109 0.000) 9.660 8.572 ( -4.984 -0.371 0.000) 4.998 8.731 ( -7.883 -0.380 0.000) 7.892 8.895 ( -1.970 6.951 0.000) 7.225 9.022 ( -9.136 -3.501 0.000) 9.784 9.553 ( -0.023 6.491 0.000) 6.491 10.095 ( 1.089 -2.256 0.000) 2.505 10.190 ( 5.012 -2.307 0.000) 5.517 10.428 ( 0.226 1.095 0.000) 1.119 10.497 ( -1.797 5.147 0.000) 5.452 10.860 ( 3.309 -10.749 0.000) 11.247 11.132 ( -3.178 -12.391 0.000) 12.792 11.205 ( -2.609 -7.482 0.000) 7.924 11.637 ( -1.874 6.496 0.000) 6.761 11.728 ( -6.331 8.598 0.000) 10.678 12.244 ( -10.571 19.484 0.000) 22.167 12.689 ( -6.919 7.692 0.000) 10.346 12.897 ( -3.666 -8.269 0.000) 9.045 13.108 ( -1.937 -13.006 0.000) 13.150 13.480 ( -5.093 -9.741 0.000) 10.992 13.599 ( 2.465 -3.506 0.000) 4.286 13.781 ( -7.622 -0.319 0.000) 7.628 14.017 ( -0.266 1.889 0.000) 1.908 14.071 ( -4.577 12.861 0.000) 13.652 14.248 ( -2.946 3.219 0.000) 4.364 14.956 ( 5.511 0.921 0.000) 5.587 15.058 ( 9.807 6.573 0.000) 11.806 15.205 ( -3.669 2.401 0.000) 4.385 15.324 ( 6.014 3.000 0.000) 6.721 15.501 ( 5.495 -0.316 0.000) 5.504 16.027 ( -4.160 -2.740 0.000) 4.981 16.314 ( -2.895 -10.225 0.000) 10.627 16.359 ( 1.342 -5.138 0.000) 5.310 18.300 ( 17.049 10.192 0.000) 19.863 19.794 ( -3.398 0.036 0.000) 3.398 19.901 ( 4.069 -1.494 0.000) 4.335 20.209 ( 8.593 -32.262 0.000) 33.387 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 9.953 -9.792 0.000) 13.962 1.883 ( 4.881 -2.810 0.000) 5.632 2.189 ( 5.541 -14.353 0.000) 15.385 2.313 ( 2.461 13.296 0.000) 13.522 2.773 ( -5.570 4.872 0.000) 7.400 2.802 ( -2.354 -4.821 0.000) 5.365 3.037 ( 0.555 2.854 0.000) 2.908 3.098 ( -1.802 -1.604 0.000) 2.412 3.341 ( 5.486 7.940 0.000) 9.651 3.681 ( 3.034 -1.546 0.000) 3.406 3.712 ( 7.601 -8.296 0.000) 11.252 3.928 ( -15.558 -6.387 0.000) 16.818 4.427 ( 13.437 29.821 0.000) 32.708 4.727 ( 3.336 13.963 0.000) 14.356 5.867 ( 20.310 -8.727 0.000) 22.106 5.885 ( 15.258 1.172 0.000) 15.303 6.612 ( 15.517 1.393 0.000) 15.580 6.649 ( -2.049 19.236 0.000) 19.345 6.866 ( 0.287 -1.016 0.000) 1.056 7.006 ( 7.864 6.792 0.000) 10.391 7.432 ( -9.421 10.196 0.000) 13.882 8.000 ( 9.417 -9.962 0.000) 13.709 8.274 ( 9.718 -5.324 0.000) 11.081 8.450 ( -18.981 1.454 0.000) 19.037 8.492 ( -2.270 -0.543 0.000) 2.334 8.743 ( 9.568 -1.190 0.000) 9.642 8.870 ( -0.692 0.518 0.000) 0.865 8.913 ( -2.483 -5.727 0.000) 6.242 9.583 ( 3.366 10.484 0.000) 11.011 10.016 ( -8.678 -1.655 0.000) 8.834 10.246 ( -1.691 5.023 0.000) 5.300 10.294 ( -12.004 2.841 0.000) 12.336 10.505 ( 4.538 -3.546 0.000) 5.759 10.898 ( -1.025 -8.269 0.000) 8.332 11.136 ( 3.385 -13.210 0.000) 13.637 11.164 ( -1.055 -8.781 0.000) 8.844 11.551 ( -5.027 10.038 0.000) 11.227 11.612 ( -4.903 10.641 0.000) 11.716 12.170 ( 1.520 14.422 0.000) 14.502 12.542 ( -7.930 6.894 0.000) 10.508 12.890 ( 2.949 -8.068 0.000) 8.590 13.069 ( -1.351 -11.323 0.000) 11.403 13.346 ( -8.244 -9.852 0.000) 12.846 13.454 ( -12.774 -8.528 0.000) 15.359 13.797 ( 5.601 4.715 0.000) 7.322 14.009 ( -2.087 9.624 0.000) 9.847 14.028 ( 1.248 2.367 0.000) 2.676 14.182 ( -3.643 2.054 0.000) 4.182 14.995 ( 0.859 1.423 0.000) 1.662 15.126 ( -4.026 2.352 0.000) 4.663 15.261 ( 7.699 0.708 0.000) 7.732 15.415 ( 2.600 0.377 0.000) 2.627 15.686 ( 13.434 0.717 0.000) 13.453 15.982 ( 0.061 -1.574 0.000) 1.576 16.241 ( -4.635 -6.459 0.000) 7.950 16.341 ( -3.523 -4.701 0.000) 5.875 18.684 ( 21.220 8.051 0.000) 22.696 19.679 ( -8.688 1.293 0.000) 8.784 19.992 ( 5.061 -3.312 0.000) 6.048 20.260 ( -1.430 -19.367 0.000) 19.419 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 3.906 -11.196 0.000) 11.857 1.772 ( -7.412 -8.543 0.000) 11.311 2.419 ( 7.298 11.998 0.000) 14.044 2.449 ( 10.443 -7.373 0.000) 12.784 2.663 ( -3.833 8.034 0.000) 8.902 2.731 ( -5.569 -6.475 0.000) 8.541 3.040 ( 1.136 -0.345 0.000) 1.187 3.070 ( -1.440 -1.099 0.000) 1.812 3.428 ( 5.312 2.500 0.000) 5.871 3.592 ( -10.980 -0.011 0.000) 10.980 3.780 ( 0.439 -11.164 0.000) 11.173 3.790 ( 0.617 -12.244 0.000) 12.260 4.661 ( 8.725 27.921 0.000) 29.252 4.753 ( -1.126 22.720 0.000) 22.748 6.167 ( 12.317 -3.578 0.000) 12.826 6.207 ( 11.720 -12.327 0.000) 17.009 6.559 ( -5.209 13.699 0.000) 14.656 6.619 ( -8.428 1.695 0.000) 8.596 7.139 ( 6.710 16.523 0.000) 17.833 7.259 ( -7.022 18.368 0.000) 19.665 7.275 ( 32.555 2.897 0.000) 32.684 7.929 ( -31.213 1.629 0.000) 31.255 8.163 ( 7.188 -8.153 0.000) 10.869 8.288 ( -5.588 -7.239 0.000) 9.144 8.687 ( 14.211 -1.551 0.000) 14.295 8.834 ( -0.890 -6.463 0.000) 6.524 8.887 ( -0.578 -5.848 0.000) 5.877 8.889 ( 1.008 -2.463 0.000) 2.661 9.676 ( 5.586 10.324 0.000) 11.739 9.817 ( -9.604 4.343 0.000) 10.540 10.092 ( -4.880 4.033 0.000) 6.331 10.139 ( -6.906 5.623 0.000) 8.906 10.653 ( 8.908 -8.340 0.000) 12.202 10.815 ( -6.913 -8.777 0.000) 11.172 11.168 ( 1.179 -10.193 0.000) 10.261 11.185 ( 0.386 -11.938 0.000) 11.944 11.504 ( 0.539 13.569 0.000) 13.580 11.541 ( -2.641 13.094 0.000) 13.358 12.250 ( 5.882 9.348 0.000) 11.044 12.386 ( -7.755 6.866 0.000) 10.358 12.999 ( 7.639 -8.853 0.000) 11.693 13.085 ( 3.512 -10.037 0.000) 10.634 13.171 ( -9.163 -8.524 0.000) 12.515 13.222 ( -9.950 -7.843 0.000) 12.669 13.904 ( 4.713 5.024 0.000) 6.889 13.972 ( -2.256 6.998 0.000) 7.352 14.061 ( 2.038 2.157 0.000) 2.967 14.112 ( -3.255 1.661 0.000) 3.655 15.015 ( 1.382 1.872 0.000) 2.327 15.056 ( -2.939 2.144 0.000) 3.637 15.365 ( 3.765 -1.857 0.000) 4.198 15.420 ( -1.686 -1.740 0.000) 2.423 15.973 ( 14.273 -0.780 0.000) 14.295 16.031 ( 4.497 -1.338 0.000) 4.692 16.138 ( -5.595 -3.129 0.000) 6.410 16.213 ( -9.525 -3.041 0.000) 9.998 19.097 ( 20.142 5.549 0.000) 20.893 19.446 ( -15.101 3.171 0.000) 15.430 20.095 ( 5.364 -6.584 0.000) 8.492 20.195 ( -4.592 -11.654 0.000) 12.526 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 29.627 0.000) 29.627 1.527 ( 0.000 32.335 0.000) 32.335 1.956 ( 0.000 18.880 0.000) 18.880 2.240 ( 0.000 -6.110 0.000) 6.110 2.299 ( 0.000 -9.311 0.000) 9.311 2.806 ( 0.000 -20.614 0.000) 20.614 3.084 ( 0.000 5.797 0.000) 5.797 3.196 ( 0.000 -1.108 0.000) 1.108 3.436 ( 0.000 5.017 0.000) 5.017 3.630 ( 0.000 14.856 0.000) 14.856 3.728 ( 0.000 4.752 0.000) 4.752 4.313 ( 0.000 -14.923 0.000) 14.923 4.495 ( 0.000 1.456 0.000) 1.456 4.833 ( 0.000 -10.296 0.000) 10.296 5.236 ( 0.000 13.028 0.000) 13.028 5.674 ( 0.000 -8.175 0.000) 8.175 5.940 ( 0.000 17.332 0.000) 17.332 6.628 ( 0.000 9.713 0.000) 9.713 6.733 ( 0.000 -14.714 0.000) 14.714 7.168 ( 0.000 -12.578 0.000) 12.578 7.223 ( 0.000 30.698 0.000) 30.698 7.479 ( 0.000 10.032 0.000) 10.032 7.897 ( 0.000 -14.172 0.000) 14.172 8.466 ( 0.000 -18.052 0.000) 18.052 8.670 ( 0.000 10.626 0.000) 10.626 9.043 ( 0.000 6.575 0.000) 6.575 9.131 ( 0.000 -8.685 0.000) 8.685 9.225 ( 0.000 -3.481 0.000) 3.481 9.592 ( 0.000 2.208 0.000) 2.208 9.901 ( 0.000 -11.339 0.000) 11.339 9.982 ( 0.000 -1.448 0.000) 1.448 10.014 ( 0.000 -1.066 0.000) 1.066 10.663 ( 0.000 8.552 0.000) 8.552 10.833 ( 0.000 4.880 0.000) 4.880 11.027 ( 0.000 -3.599 0.000) 3.599 11.081 ( 0.000 -9.672 0.000) 9.672 11.847 ( 0.000 13.515 0.000) 13.515 12.114 ( 0.000 14.191 0.000) 14.191 12.549 ( 0.000 -19.576 0.000) 19.576 12.788 ( 0.000 -14.819 0.000) 14.819 13.076 ( 0.000 11.685 0.000) 11.685 13.216 ( 0.000 1.473 0.000) 1.473 13.367 ( 0.000 -5.312 0.000) 5.312 13.471 ( 0.000 -3.902 0.000) 3.902 13.934 ( 0.000 0.613 0.000) 0.613 14.032 ( 0.000 -2.383 0.000) 2.383 14.380 ( 0.000 7.387 0.000) 7.387 14.697 ( 0.000 -7.007 0.000) 7.007 14.733 ( 0.000 22.358 0.000) 22.358 15.102 ( 0.000 1.513 0.000) 1.513 15.274 ( 0.000 5.110 0.000) 5.110 15.333 ( 0.000 2.155 0.000) 2.155 15.434 ( 0.000 2.386 0.000) 2.386 16.035 ( 0.000 -21.529 0.000) 21.529 16.120 ( 0.000 -4.038 0.000) 4.038 16.130 ( 0.000 -4.734 0.000) 4.734 18.254 ( 0.000 13.983 0.000) 13.983 18.736 ( 0.000 -7.985 0.000) 7.985 19.801 ( 0.000 -0.452 0.000) 0.452 19.813 ( 0.000 -0.961 0.000) 0.961 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 3.477 25.146 0.000) 25.385 1.495 ( 2.730 23.913 0.000) 24.068 2.107 ( -2.840 -8.397 0.000) 8.864 2.286 ( -1.078 -10.141 0.000) 10.198 2.391 ( 24.878 10.890 0.000) 27.157 2.821 ( 0.263 -14.207 0.000) 14.209 3.020 ( -5.504 5.148 0.000) 7.536 3.181 ( -2.087 -0.543 0.000) 2.156 3.448 ( 1.286 8.223 0.000) 8.323 3.656 ( 2.249 12.644 0.000) 12.843 3.745 ( 0.826 5.683 0.000) 5.743 4.247 ( -6.605 -13.107 0.000) 14.677 4.575 ( 7.894 3.459 0.000) 8.618 4.959 ( 12.161 -10.515 0.000) 16.077 5.022 ( -11.219 25.278 0.000) 27.656 5.609 ( -6.020 -3.637 0.000) 7.033 6.103 ( 14.640 5.523 0.000) 15.648 6.656 ( 1.514 1.270 0.000) 1.976 6.806 ( 4.940 -7.481 0.000) 8.964 7.238 ( 1.341 31.599 0.000) 31.628 7.276 ( 10.082 -14.334 0.000) 17.524 7.535 ( 5.225 8.621 0.000) 10.080 7.919 ( 2.259 -12.291 0.000) 12.497 8.459 ( -0.899 -17.203 0.000) 17.227 8.658 ( -0.305 9.938 0.000) 9.942 8.955 ( -7.961 6.116 0.000) 10.039 9.049 ( -5.725 -4.895 0.000) 7.532 9.144 ( -8.114 -3.485 0.000) 8.831 9.661 ( 6.358 7.147 0.000) 9.566 10.006 ( 2.827 -1.134 0.000) 3.046 10.047 ( 2.421 -2.588 0.000) 3.544 10.103 ( 16.217 -12.567 0.000) 20.516 10.665 ( -0.169 8.337 0.000) 8.338 10.762 ( -5.741 3.242 0.000) 6.593 11.001 ( -3.789 -6.606 0.000) 7.616 11.065 ( -1.722 -9.656 0.000) 9.809 11.862 ( 1.283 13.531 0.000) 13.592 12.074 ( -3.807 14.233 0.000) 14.733 12.525 ( -2.467 -15.150 0.000) 15.349 12.740 ( -4.268 -14.233 0.000) 14.859 13.032 ( -4.517 11.927 0.000) 12.754 13.090 ( -10.073 4.496 0.000) 11.030 13.357 ( -2.157 -7.742 0.000) 8.037 13.476 ( 0.023 -5.944 0.000) 5.944 13.899 ( -3.165 1.648 0.000) 3.568 14.022 ( -0.596 -2.095 0.000) 2.178 14.349 ( -3.026 6.482 0.000) 7.153 14.512 ( -10.294 4.802 0.000) 11.359 14.893 ( 8.358 9.189 0.000) 12.422 15.111 ( 1.517 3.955 0.000) 4.236 15.302 ( 1.652 4.023 0.000) 4.349 15.332 ( 0.568 3.281 0.000) 3.330 15.448 ( 1.816 2.869 0.000) 3.395 16.021 ( -0.101 -18.592 0.000) 18.592 16.051 ( -4.023 -2.407 0.000) 4.688 16.179 ( 2.269 -6.634 0.000) 7.011 18.339 ( 8.854 15.285 0.000) 17.665 19.071 ( 26.133 -22.669 0.000) 34.595 19.814 ( 0.218 -0.576 0.000) 0.616 19.821 ( 1.519 -0.807 0.000) 1.720 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.165 15.739 0.000) 16.281 1.662 ( 12.613 8.880 0.000) 15.426 1.985 ( -7.504 -10.820 0.000) 13.168 2.275 ( 0.281 -12.473 0.000) 12.476 2.804 ( -0.714 -5.396 0.000) 5.443 2.840 ( 14.985 -5.851 0.000) 16.087 2.902 ( -5.831 5.787 0.000) 8.215 3.121 ( -3.367 -1.098 0.000) 3.541 3.503 ( 3.817 14.326 0.000) 14.826 3.692 ( 0.844 7.368 0.000) 7.416 3.720 ( -3.096 7.299 0.000) 7.929 4.067 ( -11.263 -8.735 0.000) 14.253 4.783 ( 12.575 8.554 0.000) 15.208 4.960 ( 4.180 32.356 0.000) 32.625 5.269 ( 18.360 -11.302 0.000) 21.560 5.631 ( 9.619 -1.843 0.000) 9.794 6.384 ( 13.685 2.607 0.000) 13.931 6.725 ( 5.519 -10.737 0.000) 12.072 6.895 ( 6.177 5.583 0.000) 8.326 7.253 ( -0.756 31.647 0.000) 31.656 7.492 ( 10.941 -17.066 0.000) 20.272 7.642 ( 4.277 6.521 0.000) 7.798 8.000 ( 6.732 -6.585 0.000) 9.417 8.426 ( -2.287 -14.236 0.000) 14.419 8.685 ( 3.096 7.126 0.000) 7.769 8.770 ( -10.753 3.640 0.000) 11.353 8.937 ( -11.644 -4.014 0.000) 12.316 8.948 ( -4.683 -2.275 0.000) 5.206 9.795 ( 6.281 15.287 0.000) 16.527 10.054 ( 0.483 -1.219 0.000) 1.311 10.120 ( 5.957 -3.734 0.000) 7.030 10.410 ( 12.158 -6.394 0.000) 13.736 10.632 ( -3.869 7.238 0.000) 8.207 10.650 ( -4.441 -4.879 0.000) 6.597 10.877 ( -7.636 -10.453 0.000) 12.945 11.008 ( -4.034 -10.191 0.000) 10.960 11.877 ( -0.333 14.217 0.000) 14.221 11.985 ( -4.650 15.077 0.000) 15.778 12.466 ( -2.787 -3.306 0.000) 4.324 12.660 ( -2.908 -13.683 0.000) 13.988 12.904 ( -7.913 -0.124 0.000) 7.914 12.907 ( -7.882 11.965 0.000) 14.328 13.274 ( -6.095 -10.047 0.000) 11.751 13.426 ( -6.416 -10.949 0.000) 12.691 13.856 ( 0.255 5.358 0.000) 5.364 14.024 ( 0.969 -1.307 0.000) 1.627 14.268 ( -4.978 6.073 0.000) 7.853 14.343 ( -6.685 3.968 0.000) 7.774 15.012 ( 3.377 4.605 0.000) 5.710 15.176 ( 4.389 2.309 0.000) 4.959 15.276 ( -3.151 4.097 0.000) 5.169 15.383 ( 2.600 1.516 0.000) 3.010 15.534 ( 7.655 5.192 0.000) 9.250 15.983 ( -2.352 -0.201 0.000) 2.361 16.042 ( 1.705 -14.425 0.000) 14.526 16.214 ( 1.049 -8.027 0.000) 8.096 18.586 ( 15.736 16.260 0.000) 22.628 19.523 ( 17.951 -29.516 0.000) 34.546 19.800 ( -1.940 0.594 0.000) 2.029 19.862 ( 2.306 -2.057 0.000) 3.090 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 2.964 8.221 0.000) 8.739 1.804 ( -6.150 -2.926 0.000) 6.811 1.961 ( 12.274 -7.434 0.000) 14.350 2.296 ( 1.403 -16.351 0.000) 16.411 2.802 ( 0.950 -0.089 0.000) 0.954 2.813 ( -2.894 7.833 0.000) 8.351 2.989 ( 2.239 -8.311 0.000) 8.607 3.066 ( -2.123 -2.187 0.000) 3.048 3.517 ( -2.091 9.092 0.000) 9.330 3.669 ( -2.311 2.476 0.000) 3.387 3.677 ( -2.283 1.685 0.000) 2.837 3.828 ( -12.488 -3.616 0.000) 13.001 5.034 ( 12.159 14.608 0.000) 19.006 5.125 ( 10.408 32.299 0.000) 33.935 5.635 ( 17.900 -12.721 0.000) 21.960 5.882 ( 12.006 -2.967 0.000) 12.367 6.712 ( 18.130 6.326 0.000) 19.202 6.806 ( 7.056 -2.794 0.000) 7.589 7.124 ( 15.673 4.802 0.000) 16.393 7.166 ( -8.448 26.949 0.000) 28.242 7.681 ( -0.196 11.090 0.000) 11.092 7.706 ( 11.427 -17.077 0.000) 20.548 8.126 ( 1.877 -7.217 0.000) 7.457 8.416 ( -0.661 -7.316 0.000) 7.346 8.512 ( -11.226 3.704 0.000) 11.821 8.752 ( 2.402 2.078 0.000) 3.176 8.755 ( -6.023 -8.077 0.000) 10.076 8.861 ( -3.801 -1.402 0.000) 4.052 9.893 ( 3.926 18.052 0.000) 18.474 10.026 ( -3.077 2.720 0.000) 4.106 10.263 ( 8.225 -4.788 0.000) 9.517 10.382 ( -10.551 5.320 0.000) 11.816 10.500 ( -9.254 5.058 0.000) 10.547 10.708 ( 0.741 -9.626 0.000) 9.654 10.772 ( 2.014 -19.101 0.000) 19.206 10.927 ( -3.579 -12.556 0.000) 13.056 11.855 ( -1.020 17.112 0.000) 17.142 11.917 ( -2.022 17.238 0.000) 17.357 12.443 ( 0.561 6.341 0.000) 6.366 12.651 ( 2.016 -14.197 0.000) 14.339 12.738 ( -8.841 10.953 0.000) 14.076 12.791 ( -3.500 -9.447 0.000) 10.075 13.134 ( -7.687 -10.617 0.000) 13.108 13.237 ( -11.441 -11.389 0.000) 16.144 13.913 ( 4.651 5.586 0.000) 7.269 14.056 ( 2.069 -0.188 0.000) 2.078 14.177 ( -3.947 5.714 0.000) 6.944 14.234 ( -4.888 2.310 0.000) 5.406 15.051 ( 1.307 3.953 0.000) 4.164 15.201 ( -4.117 4.580 0.000) 6.159 15.247 ( 2.861 -2.599 0.000) 3.865 15.398 ( -1.077 -2.490 0.000) 2.713 15.737 ( 12.000 4.538 0.000) 12.830 15.973 ( 1.231 1.561 0.000) 1.988 16.067 ( 0.553 -9.190 0.000) 9.206 16.209 ( -1.834 -7.244 0.000) 7.473 18.925 ( 18.147 14.552 0.000) 23.261 19.723 ( -6.256 2.854 0.000) 6.876 19.774 ( 8.474 -24.200 0.000) 25.641 19.901 ( 1.535 -4.872 0.000) 5.108 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 3.453 4.606 0.000) 5.756 1.673 ( -5.911 1.277 0.000) 6.048 2.189 ( 9.131 -15.678 0.000) 18.143 2.298 ( -2.115 -19.380 0.000) 19.495 2.797 ( 1.058 9.073 0.000) 9.134 2.820 ( -0.141 5.346 0.000) 5.348 3.002 ( 0.685 -3.704 0.000) 3.767 3.032 ( -1.723 -2.742 0.000) 3.239 3.505 ( 2.060 4.099 0.000) 4.588 3.610 ( -7.913 0.907 0.000) 7.965 3.618 ( -1.930 -3.214 0.000) 3.749 3.625 ( -3.120 -2.847 0.000) 4.223 5.227 ( 6.722 20.601 0.000) 21.670 5.270 ( 2.838 26.887 0.000) 27.037 5.929 ( 10.982 -13.777 0.000) 17.619 6.024 ( 1.693 -9.803 0.000) 9.949 6.806 ( 4.014 14.515 0.000) 15.060 6.960 ( -10.897 22.723 0.000) 25.201 7.321 ( 30.124 -0.656 0.000) 30.131 7.431 ( 16.298 10.608 0.000) 19.446 7.613 ( -7.338 9.318 0.000) 11.860 7.941 ( 11.872 -12.060 0.000) 16.923 7.942 ( -24.152 -0.024 0.000) 24.152 8.147 ( -10.465 -3.308 0.000) 10.975 8.630 ( 6.602 -3.566 0.000) 7.504 8.719 ( -4.413 -2.679 0.000) 5.163 8.723 ( 4.469 -8.538 0.000) 9.637 8.822 ( -2.337 -3.720 0.000) 4.393 9.950 ( 1.192 14.784 0.000) 14.832 9.963 ( -2.068 9.120 0.000) 9.352 10.212 ( -3.078 6.970 0.000) 7.620 10.296 ( -8.811 8.517 0.000) 12.254 10.443 ( 8.440 -10.218 0.000) 13.253 10.604 ( -7.367 -10.315 0.000) 12.675 10.861 ( 2.573 -17.324 0.000) 17.514 10.884 ( -0.892 -15.492 0.000) 15.518 11.864 ( 1.718 19.451 0.000) 19.527 11.894 ( -0.992 19.277 0.000) 19.303 12.478 ( 3.029 9.982 0.000) 10.431 12.575 ( -6.944 9.713 0.000) 11.940 12.726 ( 4.368 -15.725 0.000) 16.321 12.767 ( 0.190 -16.363 0.000) 16.364 13.000 ( -4.565 -8.967 0.000) 10.062 13.033 ( -7.818 -9.621 0.000) 12.397 14.013 ( 5.167 4.689 0.000) 6.977 14.099 ( 2.266 0.946 0.000) 2.455 14.105 ( -4.003 4.810 0.000) 6.258 14.151 ( -3.375 1.625 0.000) 3.745 15.079 ( 1.772 4.204 0.000) 4.562 15.127 ( -3.216 4.496 0.000) 5.528 15.299 ( 2.712 -4.413 0.000) 5.180 15.355 ( -2.862 -4.472 0.000) 5.310 15.963 ( 10.251 0.211 0.000) 10.253 16.014 ( 2.460 0.236 0.000) 2.471 16.059 ( -1.235 -3.818 0.000) 4.013 16.132 ( -6.137 -4.242 0.000) 7.460 19.269 ( 16.348 10.639 0.000) 19.505 19.547 ( -11.719 6.325 0.000) 13.317 19.883 ( 3.223 -16.477 0.000) 16.790 19.915 ( -0.281 -9.706 0.000) 9.710 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 -24.330 0.000) 24.330 1.918 ( 0.000 24.330 0.000) 24.330 2.037 ( 0.000 -9.451 0.000) 9.451 2.037 ( 0.000 9.451 0.000) 9.451 2.334 ( 0.000 -18.914 0.000) 18.914 2.334 ( 0.000 18.914 0.000) 18.914 3.181 ( 0.000 -2.419 0.000) 2.419 3.181 ( 0.000 2.419 0.000) 2.419 3.660 ( 0.000 -10.374 0.000) 10.374 3.660 ( 0.000 10.374 0.000) 10.374 3.971 ( 0.000 -16.722 0.000) 16.722 3.971 ( 0.000 16.722 0.000) 16.722 4.612 ( 0.000 -9.179 0.000) 9.179 4.612 ( 0.000 9.179 0.000) 9.179 5.480 ( 0.000 -10.150 0.000) 10.150 5.480 ( 0.000 10.150 0.000) 10.150 6.349 ( 0.000 -19.960 0.000) 19.960 6.349 ( 0.000 19.960 0.000) 19.960 6.884 ( 0.000 -13.415 0.000) 13.415 6.884 ( 0.000 13.415 0.000) 13.415 7.625 ( 0.000 -11.781 0.000) 11.781 7.625 ( 0.000 11.781 0.000) 11.781 7.959 ( 0.000 -28.792 0.000) 28.792 7.959 ( 0.000 28.792 0.000) 28.792 8.910 ( 0.000 -11.498 0.000) 11.498 8.910 ( 0.000 11.498 0.000) 11.498 9.151 ( 0.000 -3.895 0.000) 3.895 9.151 ( 0.000 3.895 0.000) 3.895 9.695 ( 0.000 -7.528 0.000) 7.528 9.695 ( 0.000 7.528 0.000) 7.528 9.981 ( 0.000 -1.245 0.000) 1.245 9.981 ( 0.000 1.245 0.000) 1.245 10.867 ( 0.000 -10.171 0.000) 10.171 10.867 ( 0.000 10.171 0.000) 10.171 10.938 ( 0.000 -4.732 0.000) 4.732 10.938 ( 0.000 4.732 0.000) 4.732 12.166 ( 0.000 -16.568 0.000) 16.568 12.166 ( 0.000 16.568 0.000) 16.568 12.449 ( 0.000 -16.628 0.000) 16.628 12.449 ( 0.000 16.628 0.000) 16.628 13.270 ( 0.000 -3.668 0.000) 3.668 13.270 ( 0.000 3.668 0.000) 3.668 13.315 ( 0.000 -10.098 0.000) 10.098 13.315 ( 0.000 10.098 0.000) 10.098 13.976 ( 0.000 -2.722 0.000) 2.722 13.976 ( 0.000 2.722 0.000) 2.722 14.541 ( 0.000 -7.611 0.000) 7.611 14.541 ( 0.000 7.611 0.000) 7.611 15.066 ( 0.000 -7.149 0.000) 7.149 15.066 ( 0.000 7.149 0.000) 7.149 15.348 ( 0.000 -1.334 0.000) 1.334 15.348 ( 0.000 1.334 0.000) 1.334 15.611 ( 0.000 -15.971 0.000) 15.971 15.611 ( 0.000 15.971 0.000) 15.971 16.071 ( 0.000 -0.150 0.000) 0.150 16.071 ( 0.000 0.150 0.000) 0.150 18.528 ( 0.000 -11.555 0.000) 11.555 18.528 ( 0.000 11.555 0.000) 11.555 19.799 ( 0.000 -0.284 0.000) 0.284 19.799 ( 0.000 0.284 0.000) 0.284 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -1.375 -23.410 0.000) 23.451 1.902 ( -1.375 23.410 0.000) 23.451 1.903 ( -7.056 -13.126 0.000) 14.902 1.903 ( -7.056 13.126 0.000) 14.902 2.545 ( 13.195 -9.226 0.000) 16.101 2.545 ( 13.195 9.226 0.000) 16.101 3.139 ( -3.971 -4.467 0.000) 5.977 3.139 ( -3.971 4.467 0.000) 5.977 3.701 ( 3.722 -9.768 0.000) 10.453 3.701 ( 3.722 9.768 0.000) 10.453 3.949 ( -2.358 -14.456 0.000) 14.647 3.949 ( -2.358 14.456 0.000) 14.647 4.726 ( 11.107 -10.238 0.000) 15.105 4.726 ( 11.107 10.238 0.000) 15.105 5.420 ( -2.936 -13.397 0.000) 13.715 5.420 ( -2.936 13.397 0.000) 13.715 6.382 ( 3.152 -17.399 0.000) 17.682 6.382 ( 3.152 17.399 0.000) 17.682 6.966 ( 7.302 -13.720 0.000) 15.542 6.966 ( 7.302 13.720 0.000) 15.542 7.672 ( 4.378 -10.575 0.000) 11.445 7.672 ( 4.378 10.575 0.000) 11.445 7.967 ( 0.837 -27.840 0.000) 27.853 7.967 ( 0.837 27.840 0.000) 27.853 8.876 ( -2.448 -10.076 0.000) 10.369 8.876 ( -2.448 10.076 0.000) 10.369 9.064 ( -8.329 -4.253 0.000) 9.352 9.064 ( -8.329 4.253 0.000) 9.352 9.851 ( 13.735 -10.622 0.000) 17.363 9.851 ( 13.735 10.622 0.000) 17.363 10.003 ( 2.130 -1.142 0.000) 2.416 10.003 ( 2.130 1.142 0.000) 2.416 10.858 ( -1.219 -9.636 0.000) 9.713 10.858 ( -1.219 9.636 0.000) 9.713 10.868 ( -6.780 -5.959 0.000) 9.026 10.868 ( -6.780 5.959 0.000) 9.026 12.179 ( 1.152 -16.129 0.000) 16.170 12.179 ( 1.152 16.129 0.000) 16.170 12.408 ( -3.735 -16.458 0.000) 16.876 12.408 ( -3.735 16.458 0.000) 16.876 13.208 ( -6.007 -6.310 0.000) 8.712 13.208 ( -6.007 6.310 0.000) 8.712 13.285 ( -3.376 -11.211 0.000) 11.708 13.285 ( -3.376 11.211 0.000) 11.708 13.961 ( -0.922 -3.384 0.000) 3.508 13.961 ( -0.922 3.384 0.000) 3.508 14.479 ( -5.534 -5.154 0.000) 7.562 14.479 ( -5.534 5.154 0.000) 7.562 15.092 ( 2.099 -6.098 0.000) 6.449 15.092 ( 2.099 6.098 0.000) 6.449 15.361 ( 0.917 -0.995 0.000) 1.353 15.361 ( 0.917 0.995 0.000) 1.353 15.641 ( 3.310 -15.402 0.000) 15.754 15.641 ( 3.310 15.402 0.000) 15.754 16.060 ( -0.842 -3.611 0.000) 3.708 16.060 ( -0.842 3.611 0.000) 3.708 18.674 ( 13.470 -16.502 0.000) 21.301 18.674 ( 13.470 16.502 0.000) 21.301 19.809 ( 0.878 -0.184 0.000) 0.897 19.809 ( 0.878 0.184 0.000) 0.897 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -1.393 -6.313 0.000) 6.465 1.824 ( -1.393 6.313 0.000) 6.465 1.875 ( -1.249 -21.885 0.000) 21.920 1.875 ( -1.249 21.885 0.000) 21.920 2.735 ( 6.491 -0.825 0.000) 6.543 2.735 ( 6.491 0.825 0.000) 6.543 3.049 ( -4.580 -6.040 0.000) 7.580 3.049 ( -4.580 6.040 0.000) 7.580 3.747 ( -0.728 -5.787 0.000) 5.833 3.747 ( -0.728 5.787 0.000) 5.833 3.874 ( -5.316 -9.298 0.000) 10.711 3.874 ( -5.316 9.298 0.000) 10.711 5.010 ( 16.806 -12.317 0.000) 20.836 5.010 ( 16.806 12.317 0.000) 20.836 5.476 ( 8.993 -15.000 0.000) 17.489 5.476 ( 8.993 15.000 0.000) 17.489 6.496 ( 9.614 -8.727 0.000) 12.984 6.496 ( 9.614 8.727 0.000) 12.984 7.129 ( 8.952 -15.515 0.000) 17.912 7.129 ( 8.952 15.515 0.000) 17.912 7.745 ( 0.683 -2.177 0.000) 2.281 7.745 ( 0.683 2.177 0.000) 2.281 8.015 ( 5.514 -18.619 0.000) 19.419 8.015 ( 5.514 18.619 0.000) 19.419 8.840 ( -1.273 -6.931 0.000) 7.047 8.840 ( -1.273 6.931 0.000) 7.047 8.854 ( -12.365 -3.974 0.000) 12.988 8.854 ( -12.365 3.974 0.000) 12.988 10.057 ( 3.287 -1.698 0.000) 3.699 10.057 ( 3.287 1.698 0.000) 3.699 10.138 ( 13.629 -16.013 0.000) 21.027 10.138 ( 13.629 16.013 0.000) 21.027 10.696 ( -9.891 -6.435 0.000) 11.800 10.696 ( -9.891 6.435 0.000) 11.800 10.802 ( -4.841 -8.888 0.000) 10.121 10.802 ( -4.841 8.888 0.000) 10.121 12.204 ( 1.362 -15.970 0.000) 16.028 12.204 ( 1.362 15.970 0.000) 16.028 12.331 ( -3.282 -16.717 0.000) 17.036 12.331 ( -3.282 16.717 0.000) 17.036 13.057 ( -8.693 -10.131 0.000) 13.349 13.057 ( -8.693 10.131 0.000) 13.349 13.172 ( -8.081 -12.606 0.000) 14.974 13.172 ( -8.081 12.606 0.000) 14.974 13.963 ( 1.452 -4.270 0.000) 4.510 13.963 ( 1.452 4.270 0.000) 4.510 14.359 ( -6.121 -2.322 0.000) 6.547 14.359 ( -6.121 2.322 0.000) 6.547 15.129 ( 1.536 -5.317 0.000) 5.534 15.129 ( 1.536 5.317 0.000) 5.534 15.361 ( -1.346 -3.273 0.000) 3.538 15.361 ( -1.346 3.273 0.000) 3.538 15.741 ( 6.560 -13.121 0.000) 14.670 15.741 ( 6.560 13.121 0.000) 14.670 16.051 ( 0.104 -6.339 0.000) 6.340 16.051 ( 0.104 6.339 0.000) 6.340 18.985 ( 16.798 -21.643 0.000) 27.397 18.985 ( 16.798 21.643 0.000) 27.397 19.822 ( 0.107 -1.531 0.000) 1.535 19.822 ( 0.107 1.531 0.000) 1.535 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 1.165 -4.856 0.000) 4.994 1.827 ( 1.165 4.856 0.000) 4.994 1.858 ( -0.409 -21.034 0.000) 21.038 1.858 ( -0.409 21.034 0.000) 21.038 2.835 ( 4.393 -4.278 0.000) 6.132 2.835 ( 4.393 4.278 0.000) 6.132 2.978 ( -2.431 -6.304 0.000) 6.757 2.978 ( -2.431 6.304 0.000) 6.757 3.669 ( -5.874 -3.801 0.000) 6.996 3.669 ( -5.874 3.801 0.000) 6.996 3.747 ( -7.302 -4.131 0.000) 8.390 3.747 ( -7.302 4.131 0.000) 8.390 5.343 ( 16.243 -14.441 0.000) 21.734 5.343 ( 16.243 14.441 0.000) 21.734 5.676 ( 8.271 -17.987 0.000) 19.798 5.676 ( 8.271 17.987 0.000) 19.798 6.781 ( 18.714 -0.389 0.000) 18.718 6.781 ( 18.714 0.389 0.000) 18.718 7.334 ( 13.013 -15.842 0.000) 20.501 7.334 ( 13.013 15.842 0.000) 20.501 7.658 ( -8.770 -16.043 0.000) 18.284 7.658 ( -8.770 16.043 0.000) 18.284 8.172 ( 7.141 -12.550 0.000) 14.439 8.172 ( 7.141 12.550 0.000) 14.439 8.611 ( -10.616 -5.532 0.000) 11.971 8.611 ( -10.616 5.532 0.000) 11.971 8.812 ( -2.041 -2.994 0.000) 3.623 8.812 ( -2.041 2.994 0.000) 3.623 10.127 ( 3.550 -6.427 0.000) 7.343 10.127 ( 3.550 6.427 0.000) 7.343 10.313 ( 1.901 -20.276 0.000) 20.365 10.313 ( 1.901 20.276 0.000) 20.365 10.536 ( -4.030 -7.052 0.000) 8.122 10.536 ( -4.030 7.052 0.000) 8.122 10.674 ( -7.399 -10.563 0.000) 12.897 10.674 ( -7.399 10.563 0.000) 12.897 12.237 ( 2.287 -17.933 0.000) 18.078 12.237 ( 2.287 17.933 0.000) 18.078 12.302 ( 0.292 -18.125 0.000) 18.127 12.302 ( 0.292 18.125 0.000) 18.127 12.893 ( -7.529 -11.650 0.000) 13.871 12.893 ( -7.529 11.650 0.000) 13.871 12.986 ( -10.121 -12.033 0.000) 15.724 12.986 ( -10.121 12.033 0.000) 15.724 14.014 ( 3.443 -3.640 0.000) 5.010 14.014 ( 3.443 3.640 0.000) 5.010 14.250 ( -4.923 -1.255 0.000) 5.080 14.250 ( -4.923 1.255 0.000) 5.080 15.155 ( 1.294 -5.350 0.000) 5.505 15.155 ( 1.294 5.350 0.000) 5.505 15.310 ( -3.489 -5.271 0.000) 6.321 15.310 ( -3.489 5.271 0.000) 6.321 15.877 ( 6.804 -8.260 0.000) 10.701 15.877 ( 6.804 8.260 0.000) 10.701 16.059 ( 0.375 -6.219 0.000) 6.230 16.059 ( 0.375 6.219 0.000) 6.230 19.295 ( 14.447 -20.290 0.000) 24.908 19.295 ( 14.447 20.290 0.000) 24.908 19.800 ( -2.632 -4.389 0.000) 5.118 19.800 ( -2.632 4.389 0.000) 5.118 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.761 -14.212 0.000) 14.233 1.849 ( 0.761 14.212 0.000) 14.233 1.855 ( -0.034 -19.375 0.000) 19.375 1.855 ( -0.034 19.375 0.000) 19.375 2.911 ( 3.066 -4.137 0.000) 5.150 2.911 ( 3.066 4.137 0.000) 5.150 2.949 ( -1.066 -5.242 0.000) 5.349 2.949 ( -1.066 5.242 0.000) 5.349 3.579 ( -1.969 -2.317 0.000) 3.041 3.579 ( -1.969 2.317 0.000) 3.041 3.615 ( -5.210 -0.605 0.000) 5.245 3.615 ( -5.210 0.605 0.000) 5.245 5.614 ( 10.716 -16.220 0.000) 19.440 5.614 ( 10.716 16.220 0.000) 19.440 5.741 ( -1.812 -17.393 0.000) 17.487 5.741 ( -1.812 17.393 0.000) 17.487 7.145 ( 16.793 -14.789 0.000) 22.376 7.145 ( 16.793 14.789 0.000) 22.376 7.436 ( -13.246 -19.835 0.000) 23.852 7.436 ( -13.246 19.835 0.000) 23.852 7.673 ( 21.101 -12.635 0.000) 24.595 7.673 ( 21.101 12.635 0.000) 24.595 8.075 ( -16.983 -7.116 0.000) 18.414 8.075 ( -16.983 7.116 0.000) 18.414 8.593 ( 7.558 -2.153 0.000) 7.859 8.593 ( 7.558 2.153 0.000) 7.859 8.739 ( -5.809 -3.536 0.000) 6.801 8.739 ( -5.809 3.536 0.000) 6.801 10.185 ( 2.420 -11.308 0.000) 11.564 10.185 ( 2.420 11.308 0.000) 11.564 10.248 ( -4.578 -10.060 0.000) 11.053 10.248 ( -4.578 10.060 0.000) 11.053 10.532 ( 0.807 -10.099 0.000) 10.131 10.532 ( 0.807 10.099 0.000) 10.131 10.561 ( -3.281 -14.004 0.000) 14.384 10.561 ( -3.281 14.004 0.000) 14.384 12.295 ( 3.016 -20.241 0.000) 20.465 12.295 ( 3.016 20.241 0.000) 20.465 12.321 ( 0.609 -20.171 0.000) 20.180 12.321 ( 0.609 20.171 0.000) 20.180 12.784 ( -2.815 -10.993 0.000) 11.348 12.784 ( -2.815 10.993 0.000) 11.348 12.815 ( -6.127 -10.863 0.000) 12.472 12.815 ( -6.127 10.863 0.000) 12.472 14.087 ( 3.838 -2.137 0.000) 4.393 14.087 ( 3.838 2.137 0.000) 4.393 14.164 ( -4.020 -0.811 0.000) 4.101 14.164 ( -4.020 0.811 0.000) 4.101 15.187 ( 2.091 -5.690 0.000) 6.062 15.187 ( 2.091 5.690 0.000) 6.062 15.240 ( -3.311 -5.859 0.000) 6.729 15.240 ( -3.311 5.859 0.000) 6.729 15.991 ( 4.543 -2.412 0.000) 5.143 15.991 ( 4.543 2.412 0.000) 5.143 16.050 ( -1.580 -3.063 0.000) 3.446 16.050 ( -1.580 3.063 0.000) 3.446 19.542 ( 10.681 -14.931 0.000) 18.359 19.542 ( 10.681 14.931 0.000) 18.359 19.711 ( -6.549 -9.012 0.000) 11.140 19.711 ( -6.549 9.012 0.000) 11.140 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.000 0.000 31.359) 31.359 0.695 ( 0.000 0.000 32.481) 32.481 1.331 ( 0.000 0.000 62.128) 62.128 2.268 ( 0.000 0.000 4.185) 4.185 2.764 ( 0.000 0.000 -11.785) 11.785 2.835 ( 0.000 0.000 2.821) 2.821 3.055 ( 0.000 0.000 -10.209) 10.209 3.230 ( 0.000 0.000 -2.972) 2.972 3.232 ( 0.000 0.000 -13.408) 13.408 3.304 ( 0.000 0.000 -2.432) 2.432 3.395 ( 0.000 0.000 10.884) 10.884 3.629 ( 0.000 0.000 -4.320) 4.320 4.611 ( 0.000 0.000 9.499) 9.499 4.674 ( 0.000 0.000 -3.567) 3.567 5.651 ( 0.000 0.000 9.324) 9.324 5.905 ( 0.000 0.000 1.700) 1.700 5.997 ( 0.000 0.000 -21.178) 21.178 6.194 ( 0.000 0.000 2.177) 2.177 6.567 ( 0.000 0.000 5.533) 5.533 7.114 ( 0.000 0.000 6.566) 6.566 7.317 ( 0.000 0.000 -14.292) 14.292 7.586 ( 0.000 0.000 24.187) 24.187 8.119 ( 0.000 0.000 -8.878) 8.878 8.409 ( 0.000 0.000 -0.478) 0.478 8.536 ( 0.000 0.000 -0.689) 0.689 8.832 ( 0.000 0.000 -2.113) 2.113 9.158 ( 0.000 0.000 -17.041) 17.041 9.348 ( 0.000 0.000 -0.363) 0.363 9.897 ( 0.000 0.000 8.749) 8.749 9.987 ( 0.000 0.000 3.297) 3.297 10.293 ( 0.000 0.000 4.808) 4.808 10.305 ( 0.000 0.000 16.547) 16.547 10.319 ( 0.000 0.000 1.436) 1.436 10.548 ( 0.000 0.000 3.634) 3.634 10.997 ( 0.000 0.000 -11.940) 11.940 11.481 ( 0.000 0.000 -0.815) 0.815 11.648 ( 0.000 0.000 -5.543) 5.543 11.773 ( 0.000 0.000 -1.265) 1.265 12.404 ( 0.000 0.000 -8.283) 8.283 12.809 ( 0.000 0.000 4.024) 4.024 13.122 ( 0.000 0.000 -6.108) 6.108 13.138 ( 0.000 0.000 -14.859) 14.859 13.324 ( 0.000 0.000 -6.733) 6.733 13.800 ( 0.000 0.000 1.934) 1.934 13.833 ( 0.000 0.000 -2.254) 2.254 13.968 ( 0.000 0.000 -2.019) 2.019 13.993 ( 0.000 0.000 -9.673) 9.673 14.313 ( 0.000 0.000 3.691) 3.691 14.919 ( 0.000 0.000 -1.913) 1.913 14.946 ( 0.000 0.000 -1.415) 1.415 15.013 ( 0.000 0.000 -10.180) 10.180 15.139 ( 0.000 0.000 -10.443) 10.443 15.484 ( 0.000 0.000 13.397) 13.397 15.780 ( 0.000 0.000 13.435) 13.435 16.181 ( 0.000 0.000 -3.451) 3.451 16.828 ( 0.000 0.000 12.851) 12.851 17.980 ( 0.000 0.000 15.655) 15.655 19.808 ( 0.000 0.000 -1.050) 1.050 19.842 ( 0.000 0.000 -0.324) 0.324 20.435 ( 0.000 0.000 -3.272) 3.272 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 24.319 0.000 18.480) 30.544 1.064 ( 23.807 0.000 24.993) 34.517 1.787 ( 42.402 0.000 39.038) 57.636 2.256 ( -1.826 0.000 1.244) 2.209 2.780 ( 0.790 0.000 -9.024) 9.059 2.843 ( -0.288 0.000 0.682) 0.740 2.945 ( -10.621 0.000 -7.363) 12.923 3.102 ( -9.752 0.000 -5.658) 11.274 3.230 ( -0.943 0.000 -7.168) 7.229 3.363 ( 6.591 0.000 -4.097) 7.760 3.516 ( 12.138 0.000 8.531) 14.836 3.639 ( 1.134 0.000 -3.328) 3.516 4.583 ( -9.045 0.000 -2.810) 9.471 4.634 ( 2.064 0.000 9.495) 9.717 5.523 ( -8.040 0.000 15.462) 17.428 5.583 ( -3.162 0.000 3.709) 4.873 6.131 ( 10.097 0.000 -15.077) 18.146 6.526 ( 9.315 0.000 8.729) 12.766 6.588 ( 2.201 0.000 3.633) 4.248 7.078 ( -4.233 0.000 -9.812) 10.686 7.465 ( 12.642 0.000 -12.593) 17.844 7.589 ( 0.204 0.000 17.991) 17.992 8.134 ( -0.904 0.000 -11.241) 11.277 8.512 ( 7.875 0.000 -2.525) 8.270 8.534 ( 2.284 0.000 8.280) 8.589 8.817 ( -2.069 0.000 -1.215) 2.400 8.967 ( -14.116 0.000 5.700) 15.224 9.161 ( -13.108 0.000 -5.431) 14.189 9.637 ( -1.275 0.000 9.225) 9.313 9.964 ( -1.688 0.000 -4.710) 5.004 10.277 ( -1.893 0.000 10.392) 10.563 10.407 ( 7.200 0.000 4.255) 8.364 10.506 ( -2.856 0.000 2.683) 3.919 10.802 ( 15.771 0.000 -6.658) 17.119 11.071 ( 7.763 0.000 -13.705) 15.751 11.362 ( -8.790 0.000 -3.450) 9.443 11.649 ( -0.306 0.000 -3.021) 3.037 11.839 ( 4.610 0.000 2.551) 5.269 12.042 ( -23.676 0.000 -2.002) 23.761 12.753 ( -5.063 0.000 3.354) 6.073 13.051 ( -3.453 0.000 -10.058) 10.634 13.241 ( 1.445 0.000 -6.388) 6.550 13.397 ( 6.633 0.000 -5.824) 8.827 13.799 ( -3.922 0.000 -0.990) 4.045 13.810 ( 0.925 0.000 1.621) 1.866 13.946 ( -5.283 0.000 -7.987) 9.576 13.962 ( -0.445 0.000 -1.934) 1.985 14.295 ( -1.678 0.000 3.458) 3.844 14.753 ( -0.240 0.000 0.944) 0.974 14.932 ( 1.086 0.000 -1.861) 2.155 15.055 ( 1.268 0.000 -3.926) 4.126 15.123 ( -1.562 0.000 -9.898) 10.021 15.610 ( 4.582 0.000 12.399) 13.218 16.012 ( 10.348 0.000 -3.909) 11.062 16.241 ( 4.324 0.000 -4.718) 6.400 16.727 ( -5.765 0.000 15.343) 16.391 18.063 ( 8.469 0.000 14.350) 16.663 19.814 ( 0.975 0.000 -2.476) 2.660 19.828 ( -1.560 0.000 -0.958) 1.831 20.556 ( 4.564 0.000 -9.506) 10.545 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 24.082 0.000 3.955) 24.405 1.511 ( 22.122 0.000 19.149) 29.259 2.165 ( -7.745 0.000 -4.224) 8.822 2.641 ( 31.892 0.000 13.268) 34.542 2.658 ( -14.420 0.000 -4.869) 15.220 2.820 ( 1.416 0.000 -0.459) 1.489 2.836 ( 5.650 0.000 4.260) 7.076 2.932 ( -6.791 0.000 -8.911) 11.204 3.193 ( -2.882 0.000 -5.736) 6.420 3.534 ( 10.181 0.000 -2.208) 10.417 3.688 ( 4.964 0.000 -0.954) 5.055 3.818 ( 16.750 0.000 5.473) 17.621 4.343 ( -14.533 0.000 -0.649) 14.547 4.671 ( 1.031 0.000 10.039) 10.092 5.599 ( 12.564 0.000 4.328) 13.289 5.609 ( 6.497 0.000 -0.818) 6.549 6.315 ( 7.964 0.000 -7.864) 11.192 6.638 ( 5.288 0.000 18.951) 19.675 6.646 ( 3.341 0.000 -1.831) 3.810 6.985 ( -4.650 0.000 -9.576) 10.645 7.562 ( -5.233 0.000 7.067) 8.793 7.712 ( 11.728 0.000 -15.402) 19.359 8.054 ( -3.493 0.000 -11.098) 11.635 8.603 ( -1.357 0.000 -4.677) 4.870 8.686 ( 11.396 0.000 13.520) 17.682 8.705 ( -7.436 0.000 6.407) 9.816 8.853 ( -0.449 0.000 2.672) 2.709 8.943 ( -7.408 0.000 -8.906) 11.584 9.622 ( -2.555 0.000 9.365) 9.707 9.924 ( -2.592 0.000 -14.819) 15.043 10.282 ( 2.341 0.000 2.190) 3.206 10.394 ( -7.908 0.000 -0.717) 7.940 10.523 ( 2.966 0.000 6.793) 7.412 10.950 ( 3.124 0.000 -4.470) 5.453 11.219 ( 5.402 0.000 -5.667) 7.829 11.236 ( -2.439 0.000 -0.762) 2.555 11.630 ( -1.905 0.000 0.502) 1.970 11.661 ( -14.453 0.000 -3.570) 14.888 11.920 ( 3.980 0.000 5.975) 7.179 12.634 ( -6.770 0.000 2.697) 7.288 12.970 ( -3.894 0.000 -5.887) 7.058 13.222 ( -2.363 0.000 -3.296) 4.056 13.549 ( 8.204 0.000 -4.625) 9.418 13.672 ( -9.062 0.000 0.110) 9.062 13.786 ( -10.100 0.000 -4.899) 11.225 13.832 ( 1.261 0.000 0.658) 1.422 13.959 ( 0.391 0.000 -1.509) 1.559 14.251 ( -2.784 0.000 2.960) 4.063 14.907 ( 12.426 0.000 -9.983) 15.939 14.951 ( 0.635 0.000 -1.909) 2.012 15.081 ( -2.641 0.000 -8.483) 8.885 15.094 ( 2.745 0.000 -6.572) 7.122 15.706 ( 5.794 0.000 12.524) 13.800 16.095 ( 0.118 0.000 2.451) 2.454 16.274 ( -0.010 0.000 -3.594) 3.594 16.667 ( -1.969 0.000 14.023) 14.161 18.304 ( 15.783 0.000 10.717) 19.077 19.771 ( -4.626 0.000 -2.266) 5.151 19.852 ( 3.016 0.000 -5.739) 6.483 20.546 ( -4.440 0.000 -7.119) 8.390 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 4.869 0.000 -10.296) 11.389 1.920 ( 19.286 0.000 12.345) 22.898 1.977 ( -10.465 0.000 -7.179) 12.691 2.485 ( 1.259 0.000 4.024) 4.216 2.680 ( -6.756 0.000 3.728) 7.716 2.853 ( 0.846 0.000 0.590) 1.031 2.857 ( -0.601 0.000 -10.946) 10.963 3.114 ( -4.361 0.000 -5.361) 6.911 3.247 ( 14.552 0.000 4.666) 15.282 3.702 ( 4.598 0.000 -0.980) 4.701 3.885 ( 12.918 0.000 2.664) 13.189 4.071 ( -10.333 0.000 3.440) 10.890 4.119 ( 13.518 0.000 5.985) 14.783 4.650 ( -3.549 0.000 10.566) 11.147 5.834 ( 15.706 0.000 -3.168) 16.023 5.946 ( 21.766 0.000 -2.157) 21.873 6.433 ( 3.780 0.000 -0.657) 3.837 6.704 ( 2.501 0.000 -7.284) 7.702 6.786 ( 6.526 0.000 9.980) 11.924 6.920 ( 1.946 0.000 0.174) 1.954 7.323 ( -17.484 0.000 0.469) 17.490 7.907 ( 7.291 0.000 -15.783) 17.386 8.132 ( 11.108 0.000 -13.759) 17.683 8.415 ( -16.554 0.000 -5.731) 17.518 8.551 ( -8.397 0.000 4.565) 9.558 8.810 ( 0.463 0.000 -4.789) 4.812 8.861 ( 3.107 0.000 -0.322) 3.123 8.958 ( 2.885 0.000 2.016) 3.520 9.554 ( -2.673 0.000 5.893) 6.470 9.897 ( 2.042 0.000 -8.641) 8.879 10.104 ( -16.062 0.000 3.424) 16.423 10.462 ( 10.488 0.000 -7.798) 13.069 10.494 ( -5.667 0.000 9.635) 11.179 10.963 ( -1.903 0.000 -5.012) 5.361 11.275 ( 5.089 0.000 3.927) 6.428 11.287 ( 2.348 0.000 2.077) 3.135 11.473 ( -5.743 0.000 0.215) 5.747 11.571 ( -3.950 0.000 6.163) 7.320 12.014 ( 5.989 0.000 4.148) 7.285 12.490 ( -7.938 0.000 2.106) 8.213 12.932 ( 0.355 0.000 -5.755) 5.766 13.176 ( -2.007 0.000 -2.416) 3.140 13.459 ( -11.370 0.000 -0.474) 11.380 13.589 ( -9.622 0.000 0.456) 9.632 13.701 ( 6.979 0.000 -3.572) 7.840 13.855 ( 0.884 0.000 -0.653) 1.099 13.983 ( 2.031 0.000 -0.641) 2.130 14.187 ( -3.669 0.000 2.276) 4.317 14.955 ( -0.084 0.000 -2.384) 2.386 15.026 ( -2.813 0.000 -6.650) 7.220 15.119 ( 6.460 0.000 -19.246) 20.301 15.166 ( 5.027 0.000 -7.051) 8.660 15.852 ( 9.592 0.000 9.182) 13.278 16.087 ( 0.557 0.000 5.902) 5.928 16.268 ( -0.802 0.000 1.112) 1.371 16.591 ( -6.385 0.000 14.028) 15.413 18.660 ( 19.824 0.000 5.794) 20.654 19.635 ( -9.541 0.000 -2.958) 9.989 19.936 ( 5.662 0.000 -8.368) 10.104 20.417 ( -8.200 0.000 -6.756) 10.625 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -2.252 0.000 -12.385) 12.588 1.796 ( -6.616 0.000 -10.032) 12.017 2.257 ( 15.025 0.000 7.889) 16.970 2.508 ( -10.709 0.000 5.145) 11.881 2.656 ( 11.133 0.000 3.239) 11.594 2.820 ( -4.899 0.000 0.991) 4.998 2.900 ( 4.481 0.000 -9.805) 10.781 3.009 ( -5.974 0.000 -7.743) 9.780 3.443 ( 8.386 0.000 2.492) 8.749 3.625 ( -9.734 0.000 0.333) 9.739 4.018 ( 4.692 0.000 4.257) 6.335 4.067 ( 1.648 0.000 5.278) 5.530 4.352 ( 10.526 0.000 8.218) 13.354 4.534 ( -7.948 0.000 9.954) 12.738 6.174 ( 17.207 0.000 -1.697) 17.291 6.380 ( 20.218 0.000 -0.927) 20.239 6.423 ( -6.398 0.000 1.483) 6.567 6.689 ( -11.312 0.000 -0.354) 11.318 6.772 ( 5.820 0.000 -7.729) 9.675 6.977 ( -15.454 0.000 -3.404) 15.824 7.258 ( 26.163 0.000 1.595) 26.212 7.793 ( -23.612 0.000 -9.160) 25.327 8.228 ( 3.984 0.000 -5.538) 6.822 8.379 ( -8.988 0.000 -1.439) 9.103 8.426 ( 17.307 0.000 -19.905) 26.377 8.746 ( -13.416 0.000 -18.613) 22.944 8.872 ( 4.806 0.000 -1.662) 5.085 8.959 ( -2.990 0.000 2.486) 3.888 9.581 ( 6.247 0.000 1.780) 6.496 9.791 ( -14.402 0.000 1.366) 14.467 10.055 ( 12.816 0.000 8.011) 15.114 10.316 ( -12.172 0.000 11.672) 16.864 10.685 ( 11.191 0.000 -6.121) 12.756 10.871 ( -7.385 0.000 -5.245) 9.058 11.334 ( 2.711 0.000 4.733) 5.454 11.385 ( 5.517 0.000 7.298) 9.149 11.392 ( -3.223 0.000 4.168) 5.269 11.484 ( -4.740 0.000 8.828) 10.020 12.156 ( 8.249 0.000 1.715) 8.425 12.325 ( -8.756 0.000 1.418) 8.871 12.985 ( 4.984 0.000 -7.608) 9.095 13.109 ( -6.199 0.000 -7.498) 9.729 13.325 ( 0.047 0.000 5.191) 5.191 13.417 ( -7.610 0.000 4.097) 8.643 13.812 ( 4.116 0.000 -2.537) 4.835 13.859 ( -0.795 0.000 -1.643) 1.825 14.036 ( 3.333 0.000 0.273) 3.344 14.110 ( -4.064 0.000 1.303) 4.268 14.956 ( 0.434 0.000 -3.387) 3.415 14.978 ( -1.862 0.000 -4.847) 5.192 15.194 ( 2.692 0.000 -15.971) 16.196 15.225 ( 0.097 0.000 -14.138) 14.138 16.061 ( 9.250 0.000 1.552) 9.379 16.124 ( 1.962 0.000 3.373) 3.902 16.257 ( 1.909 0.000 11.503) 11.660 16.417 ( -10.773 0.000 14.759) 18.272 19.050 ( 19.321 0.000 1.145) 19.355 19.392 ( -15.159 0.000 -1.942) 15.282 20.072 ( 8.065 0.000 -8.996) 12.082 20.243 ( -9.134 0.000 -7.981) 12.129 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 20.257 21.645) 29.645 1.024 ( 0.000 25.593 19.439) 32.139 1.700 ( 0.000 29.127 40.455) 49.850 2.252 ( 0.000 -5.627 -3.327) 6.537 2.620 ( 0.000 -5.233 9.072) 10.473 2.872 ( 0.000 2.166 -14.018) 14.185 3.059 ( 0.000 -6.601 0.449) 6.616 3.142 ( 0.000 -5.853 -13.117) 14.364 3.363 ( 0.000 8.453 -1.655) 8.613 3.386 ( 0.000 16.625 -8.934) 18.874 3.494 ( 0.000 -9.885 -2.823) 10.280 4.084 ( 0.000 37.037 -18.821) 41.545 4.530 ( 0.000 -8.753 -1.591) 8.896 4.635 ( 0.000 -1.590 8.892) 9.033 5.649 ( 0.000 -8.189 8.140) 11.546 5.800 ( 0.000 -6.974 -3.647) 7.870 5.856 ( 0.000 -6.835 19.737) 20.887 6.174 ( 0.000 12.489 -16.384) 20.601 6.765 ( 0.000 17.949 6.349) 19.039 7.044 ( 0.000 -6.312 7.493) 9.798 7.235 ( 0.000 -7.138 -13.854) 15.585 7.587 ( 0.000 0.348 20.382) 20.385 8.259 ( 0.000 -12.862 -9.696) 16.107 8.474 ( 0.000 5.890 -0.728) 5.935 8.565 ( 0.000 17.635 -1.853) 17.732 8.786 ( 0.000 -5.611 -1.317) 5.764 9.153 ( 0.000 -0.996 -13.435) 13.472 9.321 ( 0.000 -2.128 1.360) 2.525 9.668 ( 0.000 -8.149 8.640) 11.877 10.017 ( 0.000 1.622 1.667) 2.326 10.188 ( 0.000 -8.923 5.236) 10.346 10.250 ( 0.000 -4.686 15.518) 16.210 10.588 ( 0.000 4.160 4.467) 6.104 10.592 ( 0.000 11.385 -5.293) 12.555 10.970 ( 0.000 -2.149 -11.308) 11.511 11.448 ( 0.000 -12.080 6.414) 13.677 11.585 ( 0.000 8.883 -1.389) 8.991 11.858 ( 0.000 7.859 -1.163) 7.944 12.671 ( 0.000 9.207 -22.070) 23.913 12.876 ( 0.000 5.750 1.514) 5.946 12.910 ( 0.000 -17.222 -10.414) 20.126 13.141 ( 0.000 2.094 -4.162) 4.659 13.266 ( 0.000 -3.689 -8.749) 9.494 13.645 ( 0.000 -2.771 6.396) 6.970 13.889 ( 0.000 -5.353 -3.055) 6.164 13.978 ( 0.000 -1.408 -9.664) 9.766 14.149 ( 0.000 14.028 -7.335) 15.830 14.391 ( 0.000 8.597 6.498) 10.777 14.836 ( 0.000 -5.517 0.119) 5.519 14.986 ( 0.000 1.722 -5.679) 5.934 15.046 ( 0.000 2.565 -9.911) 10.238 15.166 ( 0.000 1.950 -9.238) 9.441 15.567 ( 0.000 4.351 11.022) 11.850 15.931 ( 0.000 9.516 -0.665) 9.540 16.118 ( 0.000 -5.756 -3.565) 6.770 16.688 ( 0.000 -11.554 15.830) 19.598 18.114 ( 0.000 11.116 13.741) 17.674 19.678 ( 0.000 -37.752 29.923) 48.172 19.801 ( 0.000 -0.538 -1.084) 1.210 19.844 ( 0.000 -3.520 2.414) 4.268 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 18.457 13.632 16.616) 28.330 1.262 ( 14.662 16.529 23.269) 32.088 2.028 ( 29.064 20.240 20.060) 40.703 2.238 ( -0.904 -6.735 -3.496) 7.642 2.606 ( -0.888 -5.056 9.881) 11.135 2.860 ( -1.203 1.086 -11.056) 11.175 2.984 ( -5.920 -2.605 0.008) 6.468 3.172 ( 0.798 -4.885 -9.790) 10.971 3.278 ( -7.516 12.036 -6.707) 15.696 3.422 ( 5.258 6.779 -2.543) 8.948 3.544 ( 2.632 -3.636 -3.864) 5.923 4.050 ( 0.977 35.334 -8.197) 36.286 4.459 ( -7.715 -8.951 -2.665) 12.114 4.666 ( 3.504 1.257 10.402) 11.048 5.444 ( -4.765 -6.647 14.597) 16.732 5.624 ( -4.292 2.948 3.230) 6.127 6.251 ( 14.632 4.392 -10.399) 18.480 6.322 ( 12.196 -6.545 2.493) 14.064 6.761 ( -0.589 15.024 4.604) 15.724 6.997 ( -3.186 -4.423 -1.747) 5.724 7.376 ( 11.497 -8.049 -11.604) 18.211 7.613 ( 2.390 1.235 16.608) 16.825 8.166 ( -7.254 -6.469 -9.542) 13.620 8.497 ( 4.245 3.266 4.078) 6.732 8.646 ( 3.542 7.717 0.822) 8.531 8.802 ( 2.213 -1.162 -1.227) 2.784 9.017 ( -11.501 1.738 -4.090) 12.329 9.186 ( -12.061 2.997 0.862) 12.457 9.602 ( 0.153 -1.937 5.465) 5.800 9.989 ( -2.633 1.491 -4.278) 5.239 10.233 ( -0.854 -3.906 9.412) 10.226 10.331 ( 8.496 -6.896 1.539) 11.050 10.579 ( -0.492 4.503 5.335) 6.998 10.710 ( 7.861 -3.088 -3.105) 8.998 11.007 ( 2.144 -4.301 -10.837) 11.855 11.355 ( -6.217 -5.942 2.376) 8.922 11.635 ( 2.095 4.864 0.889) 5.370 11.862 ( -0.115 6.815 2.430) 7.236 12.366 ( -20.266 15.915 -15.707) 30.179 12.816 ( -5.495 3.056 -0.169) 6.290 12.899 ( -1.026 -10.159 -7.693) 12.785 13.145 ( 0.135 -6.391 -3.247) 7.170 13.396 ( 7.083 -2.125 -5.851) 9.429 13.634 ( -1.147 -3.540 4.212) 5.620 13.832 ( -5.906 -5.394 -5.390) 9.645 13.974 ( -0.237 -0.220 -6.161) 6.169 14.122 ( -2.874 12.754 -5.484) 14.177 14.368 ( -2.838 6.965 4.626) 8.829 14.780 ( 1.035 0.934 -2.171) 2.580 14.967 ( 0.914 3.488 -3.112) 4.763 15.061 ( 0.261 0.563 -9.134) 9.155 15.168 ( -0.119 3.435 -7.045) 7.838 15.626 ( 3.810 1.628 13.015) 13.658 16.027 ( 4.912 0.662 -2.465) 5.536 16.174 ( 3.598 -5.841 -4.342) 8.119 16.621 ( -3.717 -8.959 16.633) 19.255 18.185 ( 7.573 10.511 12.860) 18.254 19.793 ( 1.809 -4.310 -1.433) 4.889 19.815 ( -0.771 -1.183 -1.257) 1.890 19.997 ( 17.034 -34.687 10.105) 39.944 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 10.915 6.035 15.559) 19.941 1.595 ( 23.111 3.870 12.633) 26.621 2.147 ( -6.001 -5.539 -7.141) 10.848 2.431 ( 0.387 -3.344 2.744) 4.343 2.715 ( 8.605 0.021 0.296) 8.610 2.829 ( -0.914 -1.756 -6.051) 6.367 2.946 ( 6.328 6.196 7.390) 11.535 3.115 ( -4.842 4.231 -3.587) 7.363 3.192 ( 0.655 7.799 -6.771) 10.348 3.560 ( 7.937 3.190 -1.499) 8.684 3.591 ( 3.867 -4.726 -1.332) 6.250 4.176 ( 5.644 18.785 -0.284) 19.617 4.258 ( -7.385 3.401 -0.165) 8.132 4.760 ( 5.492 6.220 10.942) 13.732 5.541 ( 12.482 -5.125 5.042) 14.404 5.635 ( 6.120 2.010 0.337) 6.450 6.433 ( 6.672 6.148 -7.935) 12.053 6.574 ( 11.130 -0.072 8.494) 14.001 6.756 ( 1.548 5.841 -3.305) 6.888 6.945 ( -2.148 1.694 -1.099) 2.948 7.578 ( 4.693 -5.734 -9.095) 11.731 7.678 ( 5.882 2.132 4.574) 7.750 8.053 ( -2.384 -1.478 -8.269) 8.732 8.595 ( 1.778 -1.216 -0.188) 2.162 8.625 ( -4.907 -2.653 3.852) 6.779 8.791 ( -5.450 2.134 3.567) 6.854 8.867 ( -2.955 0.912 -0.686) 3.168 8.998 ( -3.044 7.074 -0.485) 7.717 9.618 ( -0.308 0.645 5.633) 5.679 9.932 ( -2.766 0.434 -12.294) 12.609 10.247 ( 2.405 -2.899 2.450) 4.493 10.383 ( -3.881 -0.220 -2.407) 4.572 10.598 ( 1.478 5.234 7.485) 9.252 10.844 ( 5.599 -8.356 -0.563) 10.075 11.017 ( 0.430 -10.089 -7.209) 12.407 11.265 ( -2.856 -5.597 3.534) 7.209 11.620 ( -3.556 6.617 -0.808) 7.556 11.815 ( -4.801 8.318 5.437) 11.036 12.111 ( -4.319 14.292 -7.885) 16.885 12.692 ( -6.990 4.238 -0.217) 8.177 12.865 ( -1.799 -8.364 -4.508) 9.670 13.128 ( -1.702 -7.460 -0.742) 7.687 13.464 ( -1.664 -8.916 0.041) 9.070 13.616 ( -3.789 -7.139 -0.893) 8.131 13.684 ( -3.799 2.265 -6.024) 7.474 13.973 ( 0.229 1.772 -3.704) 4.113 14.059 ( -2.801 10.299 -1.969) 10.853 14.295 ( -4.075 3.840 3.332) 6.516 14.894 ( 6.474 -0.091 -6.971) 9.514 15.014 ( 4.123 3.780 -4.970) 7.483 15.071 ( 1.040 1.312 -12.248) 12.362 15.159 ( -0.312 4.041 -4.884) 6.347 15.711 ( 5.181 0.498 12.300) 13.356 16.077 ( 0.382 -1.352 3.530) 3.799 16.199 ( 0.256 -6.598 -2.108) 6.931 16.588 ( -1.045 -6.922 14.322) 15.941 18.407 ( 14.700 9.235 9.635) 19.855 19.768 ( -4.073 -0.270 -2.518) 4.796 19.833 ( 2.557 -1.980 -5.654) 6.514 20.214 ( 4.621 -26.481 -0.951) 26.898 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.636 -4.696 5.276) 7.539 1.889 ( -3.847 -3.532 -0.977) 5.313 2.114 ( 13.138 0.058 0.151) 13.139 2.429 ( 3.452 3.368 6.228) 7.878 2.726 ( -2.098 -1.192 -2.726) 3.641 2.821 ( -0.944 -3.081 -0.044) 3.223 2.925 ( -4.701 6.954 -6.317) 10.505 3.077 ( -3.069 -3.228 -5.764) 7.284 3.321 ( 7.113 6.356 0.792) 9.572 3.662 ( 3.214 -3.558 -0.991) 4.896 3.754 ( 7.888 -7.265 2.567) 11.027 3.961 ( -12.291 -7.017 2.739) 14.415 4.472 ( 14.902 27.770 4.342) 31.814 4.851 ( 3.001 14.707 11.332) 18.807 5.849 ( 14.571 1.214 -3.277) 14.985 5.868 ( 19.278 -7.035 -0.455) 20.527 6.529 ( 1.169 5.010 -7.344) 8.966 6.725 ( 6.293 7.799 5.703) 11.530 6.875 ( 8.039 4.989 -5.000) 10.701 6.920 ( 2.565 2.446 0.206) 3.550 7.492 ( -9.923 11.772 4.225) 15.965 7.832 ( 6.818 -6.271 -13.303) 16.210 8.135 ( 9.896 -0.008 -11.267) 14.996 8.421 ( -16.161 0.168 -4.820) 16.865 8.500 ( -7.950 -4.253 2.234) 9.289 8.719 ( -1.185 -7.325 -7.061) 10.243 8.866 ( 1.136 1.026 3.149) 3.501 9.001 ( -0.855 2.039 2.947) 3.684 9.591 ( -1.019 4.086 0.231) 4.218 9.921 ( 2.971 2.253 -4.236) 5.643 10.146 ( -13.019 3.759 1.456) 13.629 10.414 ( 8.273 -3.494 -5.061) 10.309 10.557 ( -5.788 4.765 9.008) 11.719 10.873 ( -2.500 -7.278 -3.548) 8.474 11.111 ( 7.608 -11.846 0.910) 14.108 11.233 ( -0.430 -8.285 5.629) 10.026 11.547 ( -2.400 10.008 0.518) 10.305 11.716 ( -4.867 10.024 7.778) 13.589 12.125 ( 3.825 9.384 -2.291) 10.389 12.542 ( -8.224 4.440 -0.153) 9.347 12.858 ( 1.558 -6.676 -3.814) 7.845 13.097 ( -0.944 -6.967 -0.287) 7.037 13.343 ( -9.971 -9.428 1.267) 13.781 13.422 ( -9.640 -10.733 -2.913) 14.718 13.771 ( 6.660 5.065 -2.165) 8.643 13.978 ( -0.082 5.598 -2.909) 6.309 14.030 ( 0.104 5.219 -0.119) 5.222 14.212 ( -4.363 2.172 2.320) 5.398 14.954 ( 1.032 0.226 -4.043) 4.179 15.035 ( -1.660 0.929 -7.566) 7.802 15.145 ( 2.985 1.691 -16.064) 16.427 15.188 ( 3.647 2.010 -7.714) 8.766 15.847 ( 9.244 -0.340 8.728) 12.718 16.079 ( 0.952 -0.368 6.933) 7.007 16.208 ( 0.261 -5.263 1.731) 5.546 16.528 ( -5.568 -5.615 13.574) 15.710 18.739 ( 18.544 7.343 5.045) 20.573 19.645 ( -8.714 0.988 -3.260) 9.356 19.901 ( 4.431 -3.297 -8.092) 9.797 20.218 ( -3.139 -17.074 -4.544) 17.945 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 1.006 -4.975 -2.267) 5.559 1.733 ( -7.053 -4.102 -3.948) 9.064 2.400 ( 12.285 5.149 1.960) 13.464 2.543 ( 2.489 -0.592 5.882) 6.415 2.663 ( -0.790 3.641 0.661) 3.784 2.762 ( -5.240 -4.029 2.696) 7.138 2.909 ( 2.954 1.332 -9.322) 9.869 2.995 ( -4.860 -1.168 -7.764) 9.234 3.439 ( 6.403 0.682 0.805) 6.490 3.596 ( -8.975 -1.997 -0.600) 9.214 3.822 ( 2.194 -11.301 4.215) 12.260 3.859 ( -1.013 -11.707 5.867) 13.133 4.728 ( 10.084 26.021 6.144) 28.575 4.855 ( -2.955 22.517 9.139) 24.480 6.139 ( 13.102 -4.444 -2.286) 14.022 6.210 ( 11.299 -12.238 -0.243) 16.658 6.490 ( -1.002 6.702 -4.568) 8.172 6.651 ( -11.321 7.532 0.713) 13.617 7.070 ( 8.807 16.673 -6.155) 19.835 7.170 ( 11.780 9.235 -5.216) 15.852 7.334 ( 4.791 10.375 2.413) 11.679 7.770 ( -19.933 -2.452 -11.633) 23.209 8.174 ( 1.102 -4.386 -4.166) 6.148 8.294 ( -5.595 -6.842 -0.899) 8.884 8.447 ( 11.709 1.188 -16.835) 20.540 8.693 ( -7.695 -4.711 -12.428) 15.358 8.838 ( 1.494 -2.729 -3.202) 4.465 8.934 ( -5.431 -2.801 2.903) 6.765 9.642 ( 6.926 5.951 -0.804) 9.166 9.848 ( -13.060 5.498 1.060) 14.210 10.105 ( 12.139 4.258 7.404) 14.842 10.364 ( -12.406 4.130 11.590) 17.472 10.611 ( 9.711 -6.124 -3.877) 12.118 10.778 ( -6.910 -7.550 -3.571) 10.840 11.218 ( 2.805 -10.252 4.743) 11.639 11.241 ( 0.399 -10.359 5.738) 11.848 11.552 ( 2.794 12.134 4.716) 13.315 11.627 ( -4.268 11.497 7.776) 14.521 12.230 ( 6.594 6.416 -1.224) 9.281 12.378 ( -8.298 4.621 -0.618) 9.518 12.931 ( 5.788 -5.362 -5.605) 9.678 13.066 ( -5.662 -3.914 -6.796) 9.673 13.182 ( -1.081 -11.746 5.302) 12.932 13.265 ( -6.845 -11.386 2.621) 13.542 13.891 ( 5.133 5.712 -1.404) 7.807 13.960 ( -1.954 7.045 -1.569) 7.477 14.059 ( 2.557 1.866 -0.030) 3.166 14.127 ( -4.204 1.408 1.120) 4.573 14.969 ( 0.875 1.265 -3.966) 4.254 14.996 ( -1.876 1.671 -5.179) 5.756 15.189 ( 2.087 -0.612 -14.423) 14.586 15.220 ( -0.593 -0.524 -13.728) 13.750 16.051 ( 9.112 -0.838 2.169) 9.404 16.114 ( 1.482 -0.783 3.741) 4.099 16.216 ( 2.423 -3.532 11.054) 11.855 16.370 ( -10.004 -4.130 13.757) 17.504 19.104 ( 18.003 5.030 0.613) 18.703 19.422 ( -14.024 2.781 -2.335) 14.486 20.004 ( 5.942 -6.142 -8.448) 12.017 20.123 ( -5.926 -10.603 -6.957) 13.997 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 20.678 8.354) 22.302 1.608 ( 0.000 26.411 7.002) 27.323 2.076 ( 0.000 -6.274 -5.055) 8.056 2.204 ( 0.000 12.963 18.855) 22.881 2.534 ( 0.000 -8.315 10.625) 13.492 2.706 ( 0.000 -15.254 -6.855) 16.724 3.033 ( 0.000 0.651 -4.553) 4.599 3.073 ( 0.000 0.759 -9.808) 9.837 3.418 ( 0.000 6.756 -0.012) 6.756 3.613 ( 0.000 14.354 -2.214) 14.524 3.645 ( 0.000 6.398 -8.230) 10.424 4.273 ( 0.000 -14.489 -3.733) 14.962 4.634 ( 0.000 2.058 13.487) 13.643 4.668 ( 0.000 15.867 -8.658) 18.075 5.391 ( 0.000 -7.249 8.284) 11.007 5.631 ( 0.000 -8.736 -4.371) 9.769 6.026 ( 0.000 15.028 10.751) 18.478 6.456 ( 0.000 13.628 -13.453) 19.149 6.792 ( 0.000 -14.807 7.130) 16.434 7.029 ( 0.000 -11.901 -12.580) 17.318 7.325 ( 0.000 29.539 6.898) 30.334 7.623 ( 0.000 3.954 11.613) 12.267 7.946 ( 0.000 -13.695 -0.283) 13.698 8.505 ( 0.000 -17.890 3.137) 18.163 8.641 ( 0.000 9.266 -1.879) 9.454 8.893 ( 0.000 6.464 -5.802) 8.686 9.121 ( 0.000 -0.117 -5.796) 5.797 9.271 ( 0.000 -2.618 3.455) 4.335 9.605 ( 0.000 1.436 3.035) 3.357 9.927 ( 0.000 -11.087 2.256) 11.314 10.063 ( 0.000 -0.589 4.546) 4.584 10.139 ( 0.000 -4.920 11.762) 12.749 10.729 ( 0.000 8.779 5.331) 10.271 10.756 ( 0.000 5.361 -5.016) 7.341 10.917 ( 0.000 -2.793 -10.005) 10.388 11.192 ( 0.000 -12.060 7.024) 13.957 11.823 ( 0.000 13.093 -2.210) 13.278 12.093 ( 0.000 13.734 -1.547) 13.821 12.495 ( 0.000 -18.051 -5.090) 18.755 12.673 ( 0.000 -9.322 -10.826) 14.287 13.010 ( 0.000 5.914 -5.405) 8.012 13.203 ( 0.000 -3.059 -10.910) 11.331 13.232 ( 0.000 6.874 1.532) 7.043 13.575 ( 0.000 -5.768 5.384) 7.890 13.822 ( 0.000 0.307 -7.341) 7.347 13.934 ( 0.000 -2.630 -9.526) 9.883 14.375 ( 0.000 8.474 -3.468) 9.156 14.676 ( 0.000 15.776 -2.838) 16.029 14.702 ( 0.000 -6.971 0.014) 6.971 15.010 ( 0.000 0.160 -8.385) 8.387 15.101 ( 0.000 2.331 -10.369) 10.628 15.192 ( 0.000 -0.194 -9.654) 9.655 15.661 ( 0.000 4.876 12.090) 13.037 15.953 ( 0.000 -9.012 -1.152) 9.085 16.070 ( 0.000 4.569 1.973) 4.977 16.417 ( 0.000 -12.584 18.486) 22.363 18.390 ( 0.000 14.170 12.117) 18.644 19.070 ( 0.000 -20.751 23.306) 31.206 19.790 ( 0.000 -0.368 -1.090) 1.151 19.810 ( 0.000 -1.249 -0.454) 1.329 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 5.855 15.177 8.717) 18.455 1.695 ( 4.250 20.312 12.741) 24.351 2.035 ( -3.402 -7.040 -1.068) 7.891 2.391 ( 14.540 8.674 6.457) 18.120 2.513 ( 0.147 -8.416 8.674) 12.087 2.719 ( 0.438 -10.046 -7.652) 12.636 2.988 ( -3.061 -0.892 -2.391) 3.986 3.100 ( 0.821 -1.450 -7.618) 7.798 3.420 ( 0.667 10.554 -0.956) 10.618 3.629 ( 1.521 11.568 -3.176) 12.093 3.661 ( 1.082 7.369 -7.096) 10.287 4.211 ( -6.131 -12.740 -3.322) 14.524 4.677 ( 5.315 12.328 1.348) 13.492 4.733 ( 6.061 11.414 2.425) 13.149 5.309 ( -1.164 -2.851 11.493) 11.898 5.629 ( -1.822 -4.594 0.996) 5.042 6.181 ( 13.852 4.045 7.561) 16.292 6.528 ( 5.967 12.692 -12.072) 18.505 6.746 ( -3.313 -12.197 0.171) 12.640 7.139 ( 9.462 -13.557 -10.929) 19.818 7.334 ( 0.690 28.852 6.166) 29.512 7.652 ( 3.075 3.222 9.433) 10.431 7.947 ( 0.426 -10.721 -0.830) 10.762 8.492 ( -1.067 -16.286 2.219) 16.471 8.643 ( 0.072 7.811 -0.113) 7.812 8.919 ( 0.740 1.866 -4.286) 4.733 9.019 ( -8.601 3.022 -0.940) 9.165 9.224 ( -4.810 -1.300 6.152) 7.916 9.630 ( 3.483 5.454 -0.241) 6.475 9.985 ( -1.302 -3.621 -2.915) 4.827 10.116 ( 6.740 -6.518 3.103) 9.877 10.162 ( 5.827 -5.749 6.094) 10.205 10.655 ( -4.756 4.376 -1.147) 6.564 10.778 ( 0.835 6.482 3.562) 7.443 10.910 ( -2.037 -4.839 -7.615) 9.250 11.153 ( -3.321 -10.746 6.112) 12.801 11.842 ( 1.349 12.642 -1.885) 12.853 12.080 ( -1.505 12.836 0.466) 12.932 12.462 ( -4.361 -10.345 -5.859) 12.664 12.602 ( -4.565 -8.660 -10.906) 14.655 12.992 ( -2.715 6.013 -3.041) 7.265 13.072 ( -6.194 1.788 -4.787) 8.030 13.314 ( 1.500 -3.796 -0.691) 4.140 13.535 ( -4.116 -7.675 2.148) 8.970 13.795 ( -2.016 2.449 -7.032) 7.714 13.943 ( 0.924 -2.513 -7.321) 7.795 14.337 ( -3.704 8.044 -3.121) 9.390 14.523 ( -8.612 3.624 0.635) 9.365 14.816 ( 5.950 4.820 -5.216) 9.266 15.023 ( 0.810 -0.288 -8.754) 8.796 15.104 ( 1.741 4.478 -10.151) 11.231 15.229 ( 1.988 1.521 -7.379) 7.792 15.680 ( 1.762 3.424 12.149) 12.744 15.957 ( 0.912 -8.670 -0.613) 8.739 16.095 ( 1.107 1.345 4.056) 4.414 16.400 ( -0.632 -10.819 17.162) 20.297 18.463 ( 7.492 15.025 11.076) 20.114 19.271 ( 16.487 -25.904 14.703) 34.045 19.796 ( 0.173 -0.612 -1.930) 2.033 19.807 ( -0.028 -1.199 -1.204) 1.700 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 8.507 5.424 13.308) 16.700 1.755 ( 5.270 10.385 7.605) 13.909 1.950 ( -5.388 -5.966 2.242) 8.346 2.431 ( -1.812 -7.851 10.649) 13.354 2.703 ( 3.526 2.059 -8.103) 9.074 2.742 ( 6.066 -4.398 -7.166) 10.368 2.931 ( -1.699 -5.033 0.731) 5.362 3.085 ( -2.152 -3.118 -4.005) 5.513 3.465 ( 3.018 13.746 -2.334) 14.265 3.643 ( -1.155 6.152 -6.433) 8.976 3.677 ( 1.593 7.331 -1.058) 7.576 4.048 ( -10.119 -9.017 -2.051) 13.708 4.864 ( 10.691 25.770 -3.812) 28.159 4.900 ( 13.484 7.791 9.795) 18.397 5.415 ( 10.580 -4.385 8.292) 14.140 5.664 ( 7.029 -0.488 2.972) 7.647 6.447 ( 11.738 -0.529 3.929) 12.389 6.675 ( 5.606 -3.761 -2.356) 7.150 6.723 ( 6.262 6.019 -11.678) 14.554 7.322 ( 0.629 20.307 1.470) 20.370 7.346 ( 7.483 -7.980 -9.678) 14.606 7.742 ( 5.658 2.403 8.403) 10.411 7.988 ( 4.473 -3.261 -2.184) 5.951 8.457 ( -2.917 -13.670 1.775) 14.090 8.610 ( -4.932 2.470 -2.726) 6.152 8.762 ( -12.912 -3.424 -7.423) 15.282 8.946 ( -1.640 5.703 9.475) 11.180 9.119 ( -5.098 1.310 7.783) 9.396 9.715 ( 3.533 8.762 -5.522) 10.943 9.930 ( -1.751 -0.767 -9.445) 9.636 10.188 ( 4.178 -1.722 2.936) 5.389 10.371 ( 6.416 -2.793 -3.774) 7.950 10.603 ( 2.216 -4.346 4.157) 6.410 10.770 ( -2.554 0.408 1.434) 2.957 10.830 ( -4.733 -4.804 0.822) 6.794 11.083 ( -3.752 -9.211 6.261) 11.753 11.848 ( -0.915 13.268 -2.545) 13.541 12.029 ( -3.470 11.658 3.328) 12.611 12.352 ( -4.169 4.746 -8.677) 10.733 12.562 ( -0.256 -13.021 -6.054) 14.362 12.889 ( -6.914 7.974 -1.425) 10.650 12.982 ( -3.708 -3.982 1.169) 5.565 13.270 ( -5.397 -8.628 0.905) 10.217 13.403 ( -9.546 -10.889 -3.148) 14.819 13.795 ( 2.785 5.890 -4.344) 7.831 13.973 ( 2.104 -1.638 -4.502) 5.232 14.249 ( -4.628 7.274 -2.134) 8.882 14.375 ( -6.453 2.394 1.778) 7.109 14.919 ( 4.174 2.643 -7.586) 9.053 15.038 ( 0.876 -0.783 -10.454) 10.520 15.165 ( 3.292 5.648 -10.872) 12.687 15.239 ( -0.802 2.844 -4.995) 5.803 15.731 ( 3.846 1.782 10.236) 11.079 15.997 ( 3.034 -8.885 0.196) 9.390 16.097 ( -0.189 1.551 9.090) 9.223 16.404 ( 0.148 -9.708 14.137) 17.150 18.673 ( 13.363 15.476 7.750) 21.866 19.568 ( 12.033 -25.987 3.159) 28.812 19.770 ( -2.706 0.082 -2.952) 4.005 19.827 ( 1.583 -3.460 -3.180) 4.959 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.993 7.146 10.435) 12.686 1.827 ( -6.358 0.095 4.100) 7.566 1.992 ( 14.147 -7.034 4.227) 16.355 2.412 ( -0.578 -13.174 9.003) 15.967 2.734 ( 1.917 3.264 -5.283) 6.499 2.790 ( 0.047 4.094 -2.996) 5.074 2.939 ( 0.765 -7.320 -3.945) 8.351 3.030 ( -3.295 -1.456 -3.723) 5.181 3.478 ( -0.976 8.004 -3.026) 8.612 3.615 ( -1.617 0.899 -2.882) 3.425 3.698 ( -0.703 0.730 1.130) 1.517 3.838 ( -10.430 -4.849 0.095) 11.503 5.071 ( 11.106 21.349 2.000) 24.148 5.201 ( 13.283 20.990 8.382) 26.216 5.673 ( 14.815 -10.189 2.709) 18.184 5.861 ( 10.535 -1.532 -1.801) 10.797 6.636 ( 4.752 5.414 -8.216) 10.927 6.787 ( 15.470 -1.479 1.556) 15.618 6.991 ( 13.707 6.432 -10.956) 18.690 7.238 ( -5.535 23.321 4.210) 24.335 7.528 ( 8.621 -11.023 -11.615) 18.186 7.813 ( -0.572 4.954 7.295) 8.837 8.122 ( 7.470 -0.530 -3.167) 8.131 8.395 ( -1.963 -6.062 -2.074) 6.700 8.404 ( -16.243 -1.197 -4.989) 17.034 8.549 ( -5.874 -7.685 -10.185) 14.046 8.898 ( -3.987 2.029 5.144) 6.817 9.007 ( -7.130 -1.536 7.159) 10.220 9.743 ( 1.267 9.549 -10.154) 13.996 9.981 ( 6.401 2.240 -3.428) 7.599 10.239 ( -3.994 4.327 1.147) 5.999 10.370 ( 2.003 1.941 -0.976) 2.955 10.659 ( -6.601 1.135 5.578) 8.716 10.692 ( -3.095 -7.157 0.908) 7.850 10.818 ( 6.571 -14.009 6.321) 16.715 11.012 ( -3.114 -10.850 7.570) 13.591 11.832 ( 0.285 15.558 -1.841) 15.669 11.968 ( -2.240 13.353 4.245) 14.189 12.332 ( 1.400 7.304 -6.909) 10.151 12.558 ( -1.349 -9.078 -5.750) 10.830 12.760 ( -4.612 3.721 1.178) 6.042 12.921 ( -2.088 -7.555 4.716) 9.147 13.130 ( -8.790 -9.817 0.845) 13.204 13.188 ( -10.885 -10.904 -4.585) 16.075 13.888 ( 5.941 5.432 -2.023) 8.300 14.022 ( 2.811 -0.095 -2.929) 4.061 14.170 ( -3.378 5.871 -0.953) 6.840 14.260 ( -5.478 1.653 1.587) 5.938 14.977 ( 2.034 2.052 -6.612) 7.216 15.055 ( 0.596 0.369 -10.105) 10.129 15.176 ( -1.708 1.501 -9.143) 9.422 15.228 ( -0.544 1.023 -9.283) 9.355 15.852 ( 8.582 1.342 7.236) 11.306 16.060 ( 2.990 -6.295 2.198) 7.307 16.106 ( 1.026 1.690 10.061) 10.254 16.374 ( -3.581 -8.282 12.407) 15.341 18.963 ( 15.613 13.562 3.300) 20.942 19.678 ( -5.854 1.578 -4.108) 7.324 19.739 ( 5.068 -17.509 -3.792) 18.618 19.856 ( 1.047 -8.468 -4.108) 9.470 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.831 6.778 6.336) 9.315 1.717 ( -4.406 4.556 4.581) 7.820 2.238 ( 10.190 -14.546 4.939) 18.434 2.376 ( -3.950 -17.289 6.653) 18.941 2.777 ( 2.411 7.078 -1.915) 7.719 2.804 ( 0.489 4.340 -1.258) 4.545 2.936 ( -0.258 -1.334 -5.327) 5.497 2.965 ( -2.911 -0.992 -6.015) 6.756 3.485 ( 2.368 3.467 -1.781) 4.561 3.563 ( -4.339 -0.398 -1.532) 4.619 3.654 ( -1.428 -4.366 2.648) 5.303 3.688 ( -4.380 -4.365 3.394) 7.053 5.267 ( 7.919 21.777 3.717) 23.469 5.344 ( 1.041 22.770 6.955) 23.831 5.933 ( 9.730 -12.815 0.305) 16.093 6.005 ( 2.711 -8.738 -1.583) 9.285 6.727 ( 7.753 15.012 -6.250) 18.014 6.944 ( -11.906 17.061 -3.458) 21.090 7.253 ( 26.235 0.463 -6.155) 26.952 7.367 ( 13.612 8.062 -4.916) 16.566 7.606 ( -4.620 8.237 -5.186) 10.774 7.701 ( -11.232 -0.739 -9.467) 14.708 8.078 ( -9.733 -4.337 -1.610) 10.777 8.124 ( -6.982 -7.596 -2.566) 10.632 8.476 ( 9.996 1.596 -10.672) 14.710 8.575 ( 4.329 -5.140 -3.317) 7.494 8.778 ( -6.329 -2.603 -4.243) 8.052 8.839 ( -9.037 -5.521 4.584) 11.539 9.831 ( 7.821 11.314 -4.342) 14.423 10.020 ( -9.602 10.283 0.174) 14.070 10.196 ( 10.226 2.255 1.373) 10.561 10.444 ( -11.389 -0.837 6.392) 13.087 10.492 ( 5.198 -0.850 3.393) 6.266 10.610 ( -5.112 -5.317 3.478) 8.155 10.932 ( 3.484 -15.690 6.489) 17.333 10.971 ( -1.326 -13.977 7.797) 16.060 11.875 ( 3.546 17.447 1.243) 17.847 11.934 ( -1.977 16.642 3.677) 17.158 12.381 ( 3.528 5.680 -5.955) 8.954 12.475 ( -5.834 1.394 -6.194) 8.622 12.769 ( 4.926 -7.268 1.443) 8.898 12.901 ( -3.962 -12.447 6.830) 14.740 12.952 ( -3.619 -6.721 -4.341) 8.782 13.022 ( -6.490 -10.539 -0.067) 12.377 14.007 ( 5.802 4.660 -0.795) 7.484 14.075 ( 1.817 2.296 -1.940) 3.512 14.111 ( -2.314 3.533 -0.107) 4.225 14.159 ( -4.634 1.318 0.623) 4.857 15.012 ( 1.786 2.821 -5.686) 6.594 15.047 ( -1.474 3.020 -6.598) 7.404 15.161 ( 0.780 -2.061 -10.951) 11.171 15.196 ( -2.285 -1.933 -11.586) 11.967 16.037 ( 8.551 -0.132 3.883) 9.393 16.100 ( 0.588 -0.861 4.418) 4.539 16.135 ( 2.743 -2.738 9.880) 10.613 16.261 ( -7.646 -5.607 11.154) 14.639 19.261 ( 14.404 9.763 -0.798) 17.419 19.511 ( -10.802 5.653 -3.406) 12.658 19.818 ( 2.927 -12.894 -6.239) 14.620 19.857 ( -1.038 -11.228 -5.499) 12.545 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 -10.545 -3.778) 11.201 1.790 ( 0.000 10.545 -3.778) 11.201 2.275 ( 0.000 -21.369 6.424) 22.314 2.275 ( 0.000 21.369 6.424) 22.314 2.343 ( 0.000 -4.664 7.307) 8.668 2.343 ( 0.000 4.664 7.307) 8.668 3.079 ( 0.000 -1.906 -7.911) 8.137 3.079 ( 0.000 1.906 -7.911) 8.137 3.628 ( 0.000 -7.782 -3.312) 8.457 3.628 ( 0.000 7.782 -3.312) 8.457 3.943 ( 0.000 -16.149 -2.954) 16.417 3.943 ( 0.000 16.149 -2.954) 16.417 4.728 ( 0.000 -5.351 10.705) 11.967 4.728 ( 0.000 5.351 10.705) 11.967 5.439 ( 0.000 -8.604 -3.549) 9.308 5.439 ( 0.000 8.604 -3.549) 9.308 6.410 ( 0.000 -19.690 7.721) 21.150 6.410 ( 0.000 19.690 7.721) 21.150 6.751 ( 0.000 -13.885 -11.434) 17.987 6.751 ( 0.000 13.885 -11.434) 17.987 7.710 ( 0.000 -8.792 4.937) 10.084 7.710 ( 0.000 8.792 4.937) 10.084 8.005 ( 0.000 -28.107 3.798) 28.363 8.005 ( 0.000 28.107 3.798) 28.363 8.836 ( 0.000 -8.173 -4.242) 9.208 8.836 ( 0.000 8.173 -4.242) 9.208 9.198 ( 0.000 -4.567 2.225) 5.080 9.198 ( 0.000 4.567 2.225) 5.080 9.710 ( 0.000 -8.168 2.230) 8.466 9.710 ( 0.000 8.168 2.230) 8.466 10.069 ( 0.000 -1.500 7.137) 7.293 10.069 ( 0.000 1.500 7.137) 7.293 10.848 ( 0.000 -3.446 -6.694) 7.529 10.848 ( 0.000 3.446 -6.694) 7.529 10.945 ( 0.000 -10.936 5.076) 12.056 10.945 ( 0.000 10.936 5.076) 12.056 12.131 ( 0.000 -15.959 -3.203) 16.277 12.131 ( 0.000 15.959 -3.203) 16.277 12.405 ( 0.000 -14.743 -4.007) 15.278 12.405 ( 0.000 14.743 -4.007) 15.278 13.119 ( 0.000 -4.603 -8.798) 9.930 13.119 ( 0.000 4.603 -8.798) 9.930 13.410 ( 0.000 -8.938 3.605) 9.638 13.410 ( 0.000 8.938 3.605) 9.638 13.871 ( 0.000 -3.179 -8.893) 9.444 13.871 ( 0.000 3.179 -8.893) 9.444 14.545 ( 0.000 -7.729 -0.875) 7.779 14.545 ( 0.000 7.729 -0.875) 7.779 14.947 ( 0.000 -7.810 -9.290) 12.137 14.947 ( 0.000 7.810 -9.290) 12.137 15.150 ( 0.000 -2.730 -10.483) 10.833 15.150 ( 0.000 2.730 -10.483) 10.833 15.780 ( 0.000 -6.694 6.575) 9.383 15.780 ( 0.000 6.694 6.575) 9.383 16.193 ( 0.000 -8.061 13.195) 15.463 16.193 ( 0.000 8.061 13.195) 15.463 18.702 ( 0.000 -15.354 14.414) 21.059 18.702 ( 0.000 15.354 14.414) 21.059 19.791 ( 0.000 -0.486 -0.901) 1.024 19.791 ( 0.000 0.486 -0.901) 1.024 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -1.911 -10.760 -1.938) 11.099 1.752 ( -1.911 10.760 -1.938) 11.099 2.223 ( -3.588 -16.910 15.624) 23.301 2.223 ( -3.588 16.910 15.624) 23.301 2.502 ( 11.191 -6.651 -2.702) 13.295 2.502 ( 11.191 6.651 -2.702) 13.295 3.046 ( -2.972 -4.447 -7.542) 9.246 3.046 ( -2.972 4.447 -7.542) 9.246 3.652 ( 2.190 -7.081 -4.459) 8.650 3.652 ( 2.190 7.081 -4.459) 8.650 3.922 ( -2.258 -14.017 -2.735) 14.459 3.922 ( -2.258 14.017 -2.735) 14.459 4.812 ( 8.277 -5.320 7.733) 12.514 4.812 ( 8.277 5.320 7.733) 12.514 5.441 ( 1.710 -11.343 1.374) 11.553 5.441 ( 1.710 11.343 1.374) 11.553 6.425 ( 1.818 -15.861 5.649) 16.935 6.425 ( 1.818 15.861 5.649) 16.935 6.827 ( 7.183 -14.874 -11.305) 20.016 6.827 ( 7.183 14.874 -11.305) 20.016 7.723 ( 1.352 -6.232 2.671) 6.913 7.723 ( 1.352 6.232 2.671) 6.913 8.020 ( 1.676 -25.855 4.406) 26.282 8.020 ( 1.676 25.855 4.406) 26.282 8.818 ( -2.784 -7.688 -3.912) 9.065 8.818 ( -2.784 7.688 -3.912) 9.065 9.143 ( -4.444 -5.534 5.670) 9.085 9.143 ( -4.444 5.534 5.670) 9.085 9.805 ( 7.232 -10.057 -1.182) 12.444 9.805 ( 7.232 10.057 -1.182) 12.444 10.084 ( 2.710 -1.908 3.739) 4.996 10.084 ( 2.710 1.908 3.739) 4.996 10.776 ( -6.424 -6.219 -5.232) 10.359 10.776 ( -6.424 6.219 -5.232) 10.359 10.948 ( -0.224 -8.225 5.625) 9.967 10.948 ( -0.224 8.225 5.625) 9.967 12.140 ( 0.487 -14.841 -3.657) 15.293 12.140 ( 0.487 14.841 -3.657) 15.293 12.380 ( -2.151 -12.807 -2.523) 13.229 12.380 ( -2.151 12.807 -2.523) 13.229 13.086 ( -3.372 -3.527 -7.812) 9.210 13.086 ( -3.372 3.527 -7.812) 9.210 13.354 ( -5.648 -7.810 2.457) 9.947 13.354 ( -5.648 7.810 2.457) 9.947 13.873 ( 0.575 -3.918 -7.303) 8.307 13.873 ( 0.575 3.918 -7.303) 8.307 14.482 ( -5.523 -5.441 -0.786) 7.792 14.482 ( -5.523 5.441 -0.786) 7.792 14.957 ( 1.242 -5.798 -10.013) 11.637 14.957 ( 1.242 5.798 -10.013) 11.637 15.206 ( 4.040 -3.776 -9.384) 10.892 15.206 ( 4.040 3.776 -9.384) 10.892 15.779 ( 0.337 -6.535 6.551) 9.259 15.779 ( 0.337 6.535 6.551) 9.259 16.196 ( 0.396 -7.787 13.148) 15.286 16.196 ( 0.396 7.787 13.148) 15.286 18.814 ( 10.459 -18.332 11.770) 24.166 18.814 ( 10.459 18.332 11.770) 24.166 19.792 ( -0.006 -0.277 -1.754) 1.776 19.792 ( -0.006 0.277 -1.754) 1.776 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 2.103 -5.004 0.969) 5.513 1.754 ( 2.103 5.004 0.969) 5.513 2.141 ( -4.607 -16.059 15.953) 23.101 2.141 ( -4.607 16.059 15.953) 23.101 2.684 ( 6.892 -1.988 -4.053) 8.239 2.684 ( 6.892 1.988 -4.053) 8.239 2.984 ( -2.880 -6.482 -5.734) 9.120 2.984 ( -2.880 6.482 -5.734) 9.120 3.677 ( -0.837 -4.476 -5.871) 7.430 3.677 ( -0.837 4.476 -5.871) 7.430 3.853 ( -4.698 -9.031 -1.956) 10.366 3.853 ( -4.698 9.031 -1.956) 10.366 5.047 ( 15.436 -5.600 3.205) 16.731 5.047 ( 15.436 5.600 3.205) 16.731 5.544 ( 8.231 -11.540 5.213) 15.103 5.544 ( 8.231 11.540 5.213) 15.103 6.508 ( 7.504 -6.756 2.047) 10.303 6.508 ( 7.504 6.756 2.047) 10.303 7.001 ( 10.056 -16.120 -10.615) 21.763 7.001 ( 10.056 16.120 -10.615) 21.763 7.749 ( 0.413 -5.237 0.281) 5.260 7.749 ( 0.413 5.237 0.281) 5.260 8.081 ( 5.013 -17.364 4.791) 18.697 8.081 ( 5.013 17.364 4.791) 18.697 8.682 ( -11.186 -3.897 -6.444) 13.485 8.682 ( -11.186 3.897 -6.444) 13.485 9.066 ( -3.770 -4.975 10.784) 12.460 9.066 ( -3.770 4.975 10.784) 12.460 9.884 ( 1.259 -4.715 -10.339) 11.432 9.884 ( 1.259 4.715 -10.339) 11.432 10.234 ( 11.411 -6.772 1.972) 13.415 10.234 ( 11.411 6.772 1.972) 13.415 10.632 ( -7.531 -6.185 -1.310) 9.833 10.632 ( -7.531 6.185 -1.310) 9.833 10.918 ( -3.242 -6.474 7.916) 10.728 10.918 ( -3.242 6.474 7.916) 10.728 12.134 ( -0.965 -10.792 -5.453) 12.130 12.134 ( -0.965 10.792 -5.453) 12.130 12.348 ( -0.530 -7.566 0.587) 7.607 12.348 ( -0.530 7.566 0.587) 7.607 12.993 ( -5.814 -2.488 -4.865) 7.979 12.993 ( -5.814 2.488 -4.865) 7.979 13.199 ( -9.663 -5.953 0.678) 11.369 13.199 ( -9.663 5.953 0.678) 11.369 13.907 ( 3.025 -4.407 -4.507) 6.992 13.907 ( 3.025 4.407 -4.507) 6.992 14.364 ( -5.949 -3.335 -0.331) 6.829 14.364 ( -5.949 3.335 -0.331) 6.829 14.992 ( 2.011 -3.403 -10.200) 10.939 14.992 ( 2.011 3.403 -10.200) 10.939 15.253 ( 0.138 -1.927 -8.284) 8.506 15.253 ( 0.138 1.927 -8.284) 8.506 15.816 ( 3.800 -6.735 5.603) 9.550 15.816 ( 3.800 6.735 5.603) 9.550 16.208 ( 0.596 -8.014 12.817) 15.128 16.208 ( 0.596 8.014 12.817) 15.128 19.059 ( 13.386 -21.094 6.286) 25.762 19.059 ( 13.386 21.094 6.286) 25.762 19.784 ( -0.926 -1.255 -3.594) 3.918 19.784 ( -0.926 1.255 -3.594) 3.918 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 4.169 -6.135 3.572) 8.232 1.820 ( 4.169 6.135 3.572) 8.232 2.053 ( -4.242 -16.661 12.887) 21.486 2.053 ( -4.242 16.661 12.887) 21.486 2.788 ( 4.319 -4.811 -3.865) 7.533 2.788 ( 4.319 4.811 -3.865) 7.533 2.943 ( -1.270 -6.408 -3.308) 7.323 2.943 ( -1.270 6.408 -3.308) 7.323 3.615 ( -4.376 -3.240 -4.255) 6.910 3.615 ( -4.376 3.240 -4.255) 6.910 3.744 ( -6.311 -3.547 -0.575) 7.262 3.744 ( -6.311 3.547 -0.575) 7.262 5.374 ( 16.379 -10.571 2.177) 19.615 5.374 ( 16.379 10.571 2.177) 19.615 5.706 ( 6.678 -13.706 3.080) 15.554 5.706 ( 6.678 13.706 3.080) 15.554 6.732 ( 14.998 -3.727 -3.919) 15.943 6.732 ( 14.998 3.727 -3.919) 15.943 7.215 ( 11.448 -14.346 -10.436) 21.113 7.215 ( 11.448 14.346 -10.436) 21.113 7.705 ( -4.762 -15.952 3.363) 16.984 7.705 ( -4.762 15.952 3.363) 16.984 8.220 ( 6.716 -9.075 3.232) 11.744 8.220 ( 6.716 9.075 3.232) 11.744 8.426 ( -12.015 -3.562 -10.921) 16.623 8.426 ( -12.015 3.562 -10.921) 16.623 8.953 ( -8.258 -2.987 6.878) 11.154 8.953 ( -8.258 2.987 6.878) 11.154 9.932 ( 4.705 -6.853 -11.161) 13.916 9.932 ( 4.705 6.853 -11.161) 13.916 10.411 ( 1.297 -11.955 -0.152) 12.026 10.411 ( 1.297 11.955 -0.152) 12.026 10.523 ( 0.254 -8.862 5.091) 10.223 10.523 ( 0.254 8.862 5.091) 10.223 10.818 ( -6.367 -7.130 10.552) 14.238 10.818 ( -6.367 7.130 10.552) 14.238 12.136 ( 2.125 -7.615 -6.007) 9.929 12.136 ( 2.125 7.615 -6.007) 9.929 12.353 ( 0.384 -3.835 1.707) 4.215 12.353 ( 0.384 3.835 1.707) 4.215 12.872 ( -6.047 -1.872 -1.886) 6.605 12.872 ( -6.047 1.872 -1.886) 6.605 13.000 ( -9.960 -3.378 0.331) 10.522 13.000 ( -9.960 3.378 0.331) 10.522 13.984 ( 4.554 -3.368 -2.481) 6.183 13.984 ( 4.554 3.368 -2.481) 6.183 14.257 ( -4.968 -2.173 0.060) 5.422 14.257 ( -4.968 2.173 0.060) 5.422 15.031 ( 2.059 -2.435 -9.639) 10.153 15.031 ( 2.059 2.435 -9.639) 10.153 15.216 ( -3.374 -1.861 -7.647) 8.564 15.216 ( -3.374 1.861 -7.647) 8.564 15.923 ( 6.633 -5.374 4.676) 9.734 15.923 ( 6.633 5.374 4.676) 9.734 16.206 ( -1.057 -6.905 11.229) 13.224 16.206 ( -1.057 6.905 11.229) 13.224 19.309 ( 11.777 -18.953 1.019) 22.337 19.309 ( 11.777 18.953 1.019) 22.337 19.747 ( -3.049 -3.930 -4.983) 7.041 19.747 ( -3.049 3.930 -4.983) 7.041 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 4.005 -13.119 6.213) 15.058 1.902 ( 4.005 13.119 6.213) 15.058 1.976 ( -3.663 -16.455 9.287) 19.247 1.976 ( -3.663 16.455 9.287) 19.247 2.864 ( 3.494 -3.410 -3.873) 6.233 2.864 ( 3.494 3.410 -3.873) 6.233 2.919 ( -1.829 -3.821 -2.967) 5.172 2.919 ( -1.829 3.821 -2.967) 5.172 3.561 ( -0.007 -2.159 -1.185) 2.463 3.561 ( -0.007 2.159 -1.185) 2.463 3.621 ( -5.480 -1.680 0.260) 5.737 3.621 ( -5.480 1.680 0.260) 5.737 5.641 ( 10.272 -14.181 2.309) 17.662 5.641 ( 10.272 14.181 2.309) 17.662 5.760 ( -1.626 -14.574 2.184) 14.826 5.760 ( -1.626 14.574 2.184) 14.826 7.057 ( 16.858 -12.714 -7.675) 22.466 7.057 ( 16.858 12.714 -7.675) 22.466 7.321 ( -6.492 -9.599 -9.837) 15.200 7.321 ( -6.492 9.599 -9.837) 15.200 7.705 ( 10.931 -3.754 0.542) 11.571 7.705 ( 10.931 3.754 0.542) 11.571 8.030 ( -18.133 -1.564 -6.982) 19.494 8.030 ( -18.133 1.564 -6.982) 19.494 8.511 ( 12.392 -1.756 -2.597) 12.783 8.511 ( 12.392 1.756 -2.597) 12.783 8.753 ( -11.710 -1.278 0.683) 11.799 8.753 ( -11.710 1.278 0.683) 11.799 10.076 ( 9.622 -10.063 -5.004) 14.795 10.076 ( 9.622 10.063 -5.004) 14.795 10.280 ( -10.157 -11.425 -1.148) 15.330 10.280 ( -10.157 11.425 -1.148) 15.330 10.615 ( 4.826 -12.475 8.444) 15.818 10.615 ( 4.826 12.475 8.444) 15.818 10.703 ( -4.875 -10.223 10.776) 15.633 10.703 ( -4.875 10.223 10.776) 15.633 12.223 ( 6.099 -5.961 -4.254) 9.530 12.223 ( 6.099 5.961 -4.254) 9.530 12.330 ( -3.549 -3.314 -0.760) 4.915 12.330 ( -3.549 3.314 -0.760) 4.915 12.789 ( -1.321 -4.868 0.229) 5.049 12.789 ( -1.321 4.868 0.229) 5.049 12.838 ( -5.927 -4.352 1.123) 7.439 12.838 ( -5.927 4.352 1.123) 7.439 14.076 ( 4.693 -1.750 -1.073) 5.123 14.076 ( 4.693 1.750 -1.073) 5.123 14.166 ( -4.518 -1.033 -0.154) 4.637 14.166 ( -4.518 1.033 -0.154) 4.637 15.077 ( 2.790 -2.343 -8.754) 9.482 15.077 ( 2.790 2.343 -8.754) 9.482 15.142 ( -3.779 -2.341 -7.910) 9.073 15.142 ( -3.779 2.341 -7.910) 9.073 16.054 ( 6.349 -1.863 5.741) 8.760 16.054 ( 6.349 1.863 5.741) 8.760 16.158 ( -3.970 -3.616 8.425) 9.991 16.158 ( -3.970 3.616 8.425) 9.991 19.513 ( 9.004 -13.745 -2.837) 16.675 19.513 ( 9.004 13.745 -2.837) 16.675 19.660 ( -5.955 -8.234 -4.862) 11.265 19.660 ( -5.955 8.234 -4.862) 11.265 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.000 0.000 23.680) 23.680 1.325 ( 0.000 0.000 27.985) 27.985 2.227 ( 0.000 0.000 -10.162) 10.162 2.484 ( 0.000 0.000 43.957) 43.957 2.534 ( 0.000 0.000 -9.184) 9.184 2.880 ( 0.000 0.000 -4.581) 4.581 2.895 ( 0.000 0.000 -17.126) 17.126 2.928 ( 0.000 0.000 6.206) 6.206 3.158 ( 0.000 0.000 -0.245) 0.245 3.217 ( 0.000 0.000 -6.256) 6.256 3.541 ( 0.000 0.000 -3.215) 3.215 3.628 ( 0.000 0.000 11.650) 11.650 4.579 ( 0.000 0.000 -5.306) 5.306 4.904 ( 0.000 0.000 17.944) 17.944 5.563 ( 0.000 0.000 -19.602) 19.602 5.901 ( 0.000 0.000 -2.854) 2.854 5.913 ( 0.000 0.000 15.039) 15.039 6.294 ( 0.000 0.000 8.542) 8.542 6.663 ( 0.000 0.000 4.048) 4.048 6.902 ( 0.000 0.000 -24.557) 24.557 7.321 ( 0.000 0.000 13.415) 13.415 7.835 ( 0.000 0.000 -18.113) 18.113 8.159 ( 0.000 0.000 29.435) 29.435 8.391 ( 0.000 0.000 -1.638) 1.638 8.556 ( 0.000 0.000 3.108) 3.108 8.728 ( 0.000 0.000 -7.270) 7.270 8.912 ( 0.000 0.000 -7.695) 7.695 9.323 ( 0.000 0.000 -3.032) 3.032 10.014 ( 0.000 0.000 -2.504) 2.504 10.016 ( 0.000 0.000 4.326) 4.326 10.327 ( 0.000 0.000 -1.581) 1.581 10.423 ( 0.000 0.000 6.668) 6.668 10.552 ( 0.000 0.000 -11.205) 11.205 10.684 ( 0.000 0.000 17.103) 17.103 10.763 ( 0.000 0.000 -0.483) 0.483 11.453 ( 0.000 0.000 -1.843) 1.843 11.507 ( 0.000 0.000 -7.232) 7.232 11.791 ( 0.000 0.000 4.266) 4.266 12.165 ( 0.000 0.000 -14.330) 14.330 12.788 ( 0.000 0.000 -16.329) 16.329 12.928 ( 0.000 0.000 7.287) 7.287 13.016 ( 0.000 0.000 -2.819) 2.819 13.143 ( 0.000 0.000 -10.469) 10.469 13.695 ( 0.000 0.000 -17.819) 17.819 13.796 ( 0.000 0.000 -2.165) 2.165 13.829 ( 0.000 0.000 -0.577) 0.577 13.913 ( 0.000 0.000 -1.815) 1.815 14.420 ( 0.000 0.000 6.317) 6.317 14.771 ( 0.000 0.000 -10.987) 10.987 14.786 ( 0.000 0.000 -12.341) 12.341 14.918 ( 0.000 0.000 -1.872) 1.872 14.958 ( 0.000 0.000 -4.452) 4.452 15.817 ( 0.000 0.000 14.759) 14.759 16.087 ( 0.000 0.000 17.167) 17.167 16.145 ( 0.000 0.000 -0.112) 0.112 17.081 ( 0.000 0.000 10.073) 10.073 18.386 ( 0.000 0.000 22.073) 22.073 19.786 ( 0.000 0.000 -0.677) 0.677 19.819 ( 0.000 0.000 -2.200) 2.200 20.337 ( 0.000 0.000 -6.067) 6.067 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 9.415 0.000 17.126) 19.544 1.553 ( 18.724 0.000 22.298) 29.116 2.159 ( -6.449 0.000 -11.087) 12.826 2.563 ( 1.144 0.000 -9.972) 10.037 2.606 ( 9.885 0.000 25.212) 27.080 2.856 ( -1.673 0.000 -0.860) 1.881 2.899 ( -1.903 0.000 -0.715) 2.033 2.917 ( 3.191 0.000 -2.596) 4.113 3.121 ( -3.914 0.000 2.609) 4.704 3.291 ( 8.385 0.000 -2.367) 8.713 3.555 ( 2.079 0.000 -3.861) 4.386 3.722 ( 9.565 0.000 11.117) 14.665 4.506 ( -7.185 0.000 -4.327) 8.388 4.917 ( 1.295 0.000 17.080) 17.129 5.524 ( -1.969 0.000 -12.085) 12.244 5.755 ( -7.443 0.000 8.574) 11.354 6.009 ( 8.063 0.000 6.642) 10.446 6.507 ( 13.445 0.000 -6.488) 14.929 6.660 ( -0.238 0.000 3.277) 3.286 6.896 ( 1.322 0.000 -16.081) 16.136 7.390 ( 5.249 0.000 10.428) 11.675 7.824 ( -1.102 0.000 -15.836) 15.874 7.964 ( -13.857 0.000 13.602) 19.417 8.438 ( 3.201 0.000 -4.951) 5.896 8.746 ( 2.445 0.000 -5.089) 5.645 8.770 ( 13.865 0.000 14.716) 20.219 8.876 ( -3.634 0.000 -7.457) 8.295 9.171 ( -14.988 0.000 1.050) 15.025 9.806 ( -13.823 0.000 -10.439) 17.322 9.846 ( -5.340 0.000 8.930) 10.405 10.345 ( -12.769 0.000 -5.437) 13.878 10.485 ( 10.077 0.000 1.987) 10.271 10.593 ( 3.452 0.000 4.305) 5.518 10.757 ( 3.674 0.000 -5.516) 6.628 10.926 ( 14.448 0.000 8.724) 16.877 11.301 ( -6.502 0.000 -1.533) 6.680 11.631 ( 4.206 0.000 0.364) 4.222 11.866 ( 7.314 0.000 1.472) 7.460 11.928 ( -18.501 0.000 -8.148) 20.216 12.780 ( -0.265 0.000 -13.543) 13.545 12.836 ( -6.827 0.000 3.686) 7.758 13.096 ( 4.315 0.000 -5.825) 7.249 13.257 ( 8.800 0.000 -6.740) 11.084 13.662 ( -2.776 0.000 -17.143) 17.366 13.775 ( -3.101 0.000 -3.297) 4.527 13.827 ( -0.251 0.000 -1.364) 1.387 13.917 ( 0.453 0.000 -1.034) 1.129 14.387 ( -3.016 0.000 4.682) 5.569 14.657 ( -4.737 0.000 -6.288) 7.873 14.811 ( 2.108 0.000 -10.891) 11.094 14.951 ( -0.749 0.000 -4.181) 4.248 14.990 ( 2.763 0.000 -3.584) 4.526 15.899 ( 4.920 0.000 12.803) 13.715 16.063 ( 1.169 0.000 4.966) 5.102 16.242 ( 5.986 0.000 6.936) 9.162 17.025 ( -4.053 0.000 12.072) 12.734 18.437 ( 5.169 0.000 20.327) 20.974 19.760 ( -2.345 0.000 -2.291) 3.279 19.790 ( -3.009 0.000 -2.953) 4.216 20.371 ( 1.718 0.000 -8.982) 9.144 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 5.368 0.000 0.523) 5.393 1.912 ( 16.802 0.000 17.899) 24.549 1.991 ( -10.429 0.000 -12.124) 15.992 2.537 ( -2.174 0.000 -3.829) 4.403 2.676 ( -1.862 0.000 -6.847) 7.095 2.849 ( -3.500 0.000 -1.862) 3.964 2.855 ( 1.585 0.000 2.559) 3.010 3.028 ( -2.012 0.000 -5.781) 6.121 3.154 ( 13.209 0.000 16.843) 21.405 3.524 ( 12.571 0.000 1.687) 12.684 3.659 ( 11.638 0.000 1.615) 11.750 3.979 ( 15.538 0.000 9.770) 18.354 4.323 ( -10.480 0.000 -1.064) 10.534 4.945 ( 0.955 0.000 15.198) 15.228 5.544 ( 5.037 0.000 -6.321) 8.083 5.711 ( 3.437 0.000 7.381) 8.142 6.181 ( 9.052 0.000 -1.779) 9.225 6.650 ( -1.014 0.000 1.415) 1.741 6.682 ( 4.902 0.000 -13.233) 14.112 7.018 ( 10.415 0.000 2.778) 10.779 7.466 ( 2.196 0.000 0.368) 2.227 7.678 ( -15.903 0.000 1.195) 15.948 7.808 ( 0.059 0.000 -10.349) 10.349 8.437 ( -4.597 0.000 -10.076) 11.075 8.741 ( -7.822 0.000 -8.740) 11.729 8.861 ( -5.893 0.000 -1.337) 6.042 8.871 ( -7.052 0.000 -0.826) 7.101 8.884 ( 1.315 0.000 6.016) 6.158 9.691 ( 5.829 0.000 -2.164) 6.218 9.812 ( -3.302 0.000 8.377) 9.004 10.147 ( -3.166 0.000 -9.827) 10.325 10.514 ( -11.342 0.000 6.621) 13.133 10.630 ( 3.800 0.000 2.748) 4.690 10.811 ( 1.794 0.000 -8.054) 8.252 11.192 ( 11.222 0.000 4.536) 12.104 11.262 ( 3.086 0.000 3.536) 4.694 11.632 ( -9.321 0.000 0.056) 9.321 11.682 ( 1.902 0.000 4.827) 5.188 12.016 ( 6.750 0.000 2.648) 7.251 12.696 ( -7.463 0.000 2.494) 7.869 12.771 ( -0.717 0.000 -10.730) 10.754 13.128 ( -0.823 0.000 -5.176) 5.241 13.438 ( 9.234 0.000 -5.445) 10.720 13.589 ( -5.205 0.000 -14.218) 15.141 13.659 ( -7.675 0.000 -3.078) 8.269 13.820 ( -0.360 0.000 -2.589) 2.614 13.936 ( 1.637 0.000 0.133) 1.643 14.314 ( -4.279 0.000 2.129) 4.779 14.660 ( 4.295 0.000 -9.048) 10.016 14.851 ( 1.639 0.000 -8.562) 8.718 14.930 ( -1.281 0.000 -3.477) 3.706 15.019 ( 0.853 0.000 -2.954) 3.074 15.933 ( -0.093 0.000 7.493) 7.493 16.131 ( 3.269 0.000 0.416) 3.296 16.337 ( 4.374 0.000 10.918) 11.762 16.972 ( -1.669 0.000 13.983) 14.082 18.585 ( 9.836 0.000 15.347) 18.228 19.701 ( -6.161 0.000 -4.518) 7.640 19.714 ( -1.721 0.000 -6.769) 6.984 20.349 ( -4.336 0.000 -11.481) 12.273 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -5.778 0.000 -15.005) 16.079 1.753 ( -13.623 0.000 -14.194) 19.674 2.211 ( 13.934 0.000 14.103) 19.825 2.579 ( 6.821 0.000 5.564) 8.802 2.650 ( 0.368 0.000 -8.374) 8.382 2.764 ( -5.162 0.000 1.785) 5.462 2.885 ( 0.701 0.000 2.350) 2.452 2.953 ( -5.290 0.000 -6.237) 8.179 3.350 ( 6.680 0.000 2.489) 7.128 3.646 ( 1.101 0.000 -5.198) 5.313 4.016 ( 16.745 0.000 12.249) 20.747 4.163 ( -3.184 0.000 5.192) 6.090 4.287 ( 15.106 0.000 9.623) 17.911 4.919 ( -4.257 0.000 13.626) 14.275 5.750 ( 16.069 0.000 -4.356) 16.649 5.907 ( 16.844 0.000 -0.631) 16.856 6.358 ( 8.933 0.000 -5.979) 10.749 6.608 ( -3.617 0.000 -1.036) 3.762 6.752 ( 2.065 0.000 -6.094) 6.434 7.195 ( 5.140 0.000 17.394) 18.138 7.311 ( -21.649 0.000 -2.027) 21.744 7.534 ( 7.137 0.000 -18.978) 20.275 7.856 ( 5.280 0.000 -12.491) 13.561 8.214 ( -17.526 0.000 -13.518) 22.133 8.523 ( -13.166 0.000 -7.455) 15.130 8.595 ( -17.078 0.000 -22.030) 27.874 8.784 ( 3.121 0.000 2.977) 4.313 9.036 ( 6.714 0.000 3.919) 7.774 9.668 ( -7.843 0.000 5.416) 9.531 9.947 ( 16.456 0.000 10.587) 19.568 10.150 ( -13.212 0.000 -0.838) 13.239 10.310 ( 5.926 0.000 -4.105) 7.209 10.626 ( -3.802 0.000 3.295) 5.031 10.818 ( -1.653 0.000 -8.116) 8.283 11.361 ( 6.541 0.000 5.342) 8.445 11.402 ( 9.832 0.000 8.138) 12.763 11.547 ( -1.315 0.000 5.968) 6.111 11.716 ( 1.313 0.000 7.955) 8.063 12.119 ( 4.202 0.000 4.851) 6.418 12.539 ( -8.648 0.000 2.136) 8.908 12.765 ( 0.632 0.000 -8.894) 8.916 13.073 ( -4.896 0.000 -5.941) 7.698 13.454 ( -6.529 0.000 -3.607) 7.459 13.536 ( -5.124 0.000 -5.549) 7.553 13.606 ( 7.768 0.000 -5.260) 9.381 13.815 ( -0.221 0.000 -3.345) 3.352 13.980 ( 2.732 0.000 0.538) 2.784 14.223 ( -4.980 0.000 0.274) 4.988 14.771 ( 5.991 0.000 -12.019) 13.429 14.870 ( 0.361 0.000 -6.342) 6.353 14.904 ( -1.263 0.000 -2.790) 3.063 15.023 ( -0.889 0.000 -5.152) 5.228 15.950 ( 2.635 0.000 0.498) 2.681 16.154 ( -0.494 0.000 -0.575) 0.758 16.443 ( 6.497 0.000 15.338) 16.658 16.917 ( -4.806 0.000 16.233) 16.929 18.812 ( 12.981 0.000 8.297) 15.406 19.548 ( -9.400 0.000 -5.234) 10.759 19.718 ( 2.568 0.000 -11.776) 12.053 20.210 ( -9.381 0.000 -12.900) 15.951 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -1.479 0.000 -18.879) 18.937 1.507 ( -9.684 0.000 -17.375) 19.892 2.459 ( 11.212 0.000 10.413) 15.302 2.642 ( -7.469 0.000 6.313) 9.779 2.702 ( 4.789 0.000 -8.779) 10.000 2.742 ( 8.159 0.000 5.126) 9.636 2.826 ( -7.184 0.000 -7.969) 10.729 2.860 ( -3.598 0.000 3.039) 4.709 3.462 ( 5.606 0.000 -1.473) 5.796 3.581 ( -6.113 0.000 -4.617) 7.661 4.173 ( 4.876 0.000 10.666) 11.728 4.223 ( 1.713 0.000 10.445) 10.584 4.559 ( 12.698 0.000 10.747) 16.636 4.780 ( -9.580 0.000 12.158) 15.478 6.135 ( 21.217 0.000 -1.603) 21.278 6.329 ( 23.392 0.000 -3.837) 23.704 6.460 ( -8.557 0.000 1.886) 8.762 6.565 ( 8.782 0.000 -11.258) 14.278 6.688 ( -10.838 0.000 0.179) 10.840 6.868 ( -21.367 0.000 -6.985) 22.479 7.303 ( 9.903 0.000 1.168) 9.972 7.579 ( -12.067 0.000 -10.252) 15.834 7.995 ( 5.479 0.000 -15.810) 16.733 8.017 ( 10.973 0.000 -18.316) 21.351 8.246 ( -14.861 0.000 -10.292) 18.077 8.275 ( -15.077 0.000 -23.869) 28.232 8.918 ( 9.035 0.000 5.688) 10.677 9.071 ( -4.306 0.000 7.143) 8.341 9.620 ( 4.592 0.000 2.531) 5.243 9.826 ( -15.080 0.000 2.005) 15.212 10.258 ( 14.418 0.000 9.552) 17.295 10.494 ( -9.504 0.000 5.652) 11.058 10.532 ( 12.055 0.000 -7.873) 14.398 10.730 ( -7.500 0.000 -7.958) 10.936 11.464 ( 4.107 0.000 7.230) 8.315 11.522 ( -1.895 0.000 7.709) 7.938 11.593 ( 8.562 0.000 12.000) 14.741 11.708 ( -2.864 0.000 11.707) 12.052 12.212 ( 6.060 0.000 3.455) 6.975 12.363 ( -8.919 0.000 2.031) 9.147 12.814 ( 4.660 0.000 -8.118) 9.360 12.941 ( -7.675 0.000 -7.579) 10.787 13.395 ( 0.486 0.000 -0.263) 0.553 13.445 ( -3.972 0.000 -2.364) 4.622 13.734 ( 5.092 0.000 -4.971) 7.116 13.800 ( -1.707 0.000 -4.130) 4.469 14.042 ( 3.616 0.000 0.193) 3.621 14.125 ( -4.815 0.000 -0.352) 4.828 14.873 ( 0.209 0.000 -4.238) 4.243 14.880 ( 5.203 0.000 -11.314) 12.453 14.883 ( -0.836 0.000 -2.974) 3.089 14.973 ( -4.030 0.000 -8.599) 9.496 16.035 ( 5.211 0.000 -3.555) 6.309 16.120 ( -3.085 0.000 -3.122) 4.389 16.593 ( 8.856 0.000 18.562) 20.566 16.776 ( -9.102 0.000 18.501) 20.619 19.078 ( 13.738 0.000 1.327) 13.802 19.335 ( -12.239 0.000 -3.483) 12.724 19.821 ( 7.842 0.000 -14.438) 16.430 20.008 ( -10.572 0.000 -14.293) 17.778 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 12.649 21.213) 24.698 1.470 ( 0.000 12.650 21.616) 25.045 2.155 ( 0.000 -6.061 -6.176) 8.654 2.388 ( 0.000 -1.181 9.265) 9.340 2.721 ( 0.000 6.947 9.079) 11.432 2.793 ( 0.000 -2.492 5.491) 6.030 2.834 ( 0.000 -2.439 -14.017) 14.228 3.084 ( 0.000 -4.835 4.541) 6.633 3.172 ( 0.000 12.804 -9.553) 15.975 3.294 ( 0.000 8.425 -4.145) 9.389 3.445 ( 0.000 -6.766 -1.806) 7.003 3.964 ( 0.000 26.475 2.726) 26.615 4.442 ( 0.000 -10.904 -5.615) 12.265 4.967 ( 0.000 3.948 21.692) 22.049 5.586 ( 0.000 -0.124 -16.062) 16.063 5.840 ( 0.000 -8.095 12.704) 15.063 5.925 ( 0.000 4.967 -8.518) 9.861 6.231 ( 0.000 -0.376 17.727) 17.731 6.843 ( 0.000 -5.231 -22.755) 23.349 6.880 ( 0.000 18.596 4.972) 19.250 7.273 ( 0.000 -4.196 14.376) 14.976 7.884 ( 0.000 -0.206 -20.856) 20.857 8.054 ( 0.000 -8.378 22.318) 23.839 8.466 ( 0.000 5.973 0.458) 5.990 8.651 ( 0.000 9.116 4.030) 9.967 8.746 ( 0.000 -0.572 -2.484) 2.549 8.896 ( 0.000 -0.241 -9.878) 9.881 9.333 ( 0.000 0.572 -1.304) 1.424 9.808 ( 0.000 -11.461 4.617) 12.356 10.019 ( 0.000 -0.087 -2.749) 2.751 10.329 ( 0.000 -7.874 6.497) 10.209 10.455 ( 0.000 3.250 -0.868) 3.364 10.583 ( 0.000 2.880 -11.326) 11.687 10.650 ( 0.000 -1.302 12.805) 12.871 10.772 ( 0.000 1.397 1.288) 1.901 11.468 ( 0.000 -4.816 -2.514) 5.433 11.545 ( 0.000 8.015 -2.333) 8.348 11.875 ( 0.000 7.671 4.087) 8.692 12.247 ( 0.000 6.849 -19.463) 20.633 12.653 ( 0.000 -11.465 -12.657) 17.077 12.900 ( 0.000 -1.000 0.940) 1.372 13.080 ( 0.000 -4.791 -9.296) 10.458 13.106 ( 0.000 6.537 1.436) 6.693 13.686 ( 0.000 -0.653 -16.979) 16.992 13.751 ( 0.000 -0.442 2.097) 2.143 13.815 ( 0.000 -8.076 -3.607) 8.845 14.005 ( 0.000 10.470 -5.276) 11.724 14.495 ( 0.000 6.612 4.753) 8.143 14.778 ( 0.000 -2.601 -12.694) 12.958 14.813 ( 0.000 3.398 -10.562) 11.095 14.835 ( 0.000 -3.007 -1.409) 3.321 15.020 ( 0.000 2.530 -4.580) 5.232 15.825 ( 0.000 0.541 11.539) 11.552 16.091 ( 0.000 -4.805 0.395) 4.821 16.147 ( 0.000 5.465 16.915) 17.775 16.991 ( 0.000 -7.863 12.199) 14.513 18.475 ( 0.000 7.913 19.848) 21.367 19.776 ( 0.000 -0.857 -1.076) 1.375 19.799 ( 0.000 -2.350 -1.867) 3.002 20.027 ( 0.000 -24.031 4.222) 24.399 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 9.006 10.544 17.408) 22.256 1.690 ( 16.010 10.966 17.361) 26.038 2.112 ( -3.709 -3.312 -5.698) 7.563 2.412 ( 1.234 -3.918 3.226) 5.223 2.680 ( -2.532 -1.548 -3.822) 4.839 2.786 ( -0.192 -2.781 5.599) 6.255 2.922 ( 5.019 -0.006 -9.080) 10.375 3.081 ( -0.356 0.174 6.009) 6.022 3.139 ( -0.786 13.043 -0.670) 13.084 3.364 ( 6.896 6.523 -1.796) 9.661 3.464 ( 2.359 -5.768 -3.581) 7.188 4.033 ( 7.708 25.151 4.819) 26.744 4.378 ( -6.345 -9.950 -4.812) 12.745 4.988 ( 2.227 4.404 20.155) 20.751 5.561 ( -1.170 0.947 -9.046) 9.171 5.704 ( -5.887 -2.436 9.643) 11.558 6.060 ( 8.225 4.412 -2.922) 9.780 6.393 ( 11.847 -5.607 3.413) 13.544 6.818 ( -0.302 1.568 -6.948) 7.129 6.911 ( 2.097 12.692 -4.231) 13.542 7.300 ( 1.536 -7.013 9.341) 11.781 7.859 ( -2.067 0.194 -17.140) 17.265 7.977 ( -5.078 -1.388 16.373) 17.199 8.498 ( 1.467 4.175 -3.918) 5.911 8.752 ( 6.755 2.386 -1.691) 7.361 8.762 ( 1.586 -0.999 5.229) 5.555 8.852 ( -4.401 -0.674 -8.074) 9.221 9.268 ( -8.170 6.853 4.267) 11.486 9.742 ( -2.160 -6.182 5.495) 8.548 9.851 ( -12.096 1.994 -7.952) 14.612 10.296 ( -11.270 -4.443 -5.250) 13.203 10.375 ( 6.172 -7.319 2.448) 9.882 10.714 ( 2.915 5.456 2.231) 6.576 10.732 ( 5.767 0.267 0.905) 5.843 10.846 ( 8.019 -4.896 5.508) 10.890 11.365 ( -4.185 1.213 0.102) 4.359 11.641 ( 2.950 2.260 -0.398) 3.738 11.922 ( 4.113 6.183 3.741) 8.315 12.059 ( -13.545 10.622 -13.934) 22.146 12.654 ( 0.131 -10.457 -10.773) 15.014 12.865 ( -5.002 2.114 0.715) 5.477 13.022 ( 1.659 -5.179 -6.517) 8.488 13.287 ( 9.338 1.292 -4.410) 10.407 13.605 ( -4.907 -2.796 -10.778) 12.168 13.725 ( -5.256 -4.139 -4.371) 7.991 13.849 ( 2.811 -3.148 -3.534) 5.505 13.997 ( -0.402 10.038 -4.618) 11.056 14.443 ( -4.620 4.428 2.516) 6.876 14.696 ( -3.274 2.682 -4.939) 6.504 14.819 ( 2.413 0.343 -10.903) 11.172 14.899 ( 1.489 -1.539 -4.450) 4.939 15.051 ( 1.835 3.030 -4.584) 5.793 15.888 ( 4.140 -1.042 10.492) 11.327 16.061 ( 0.120 -1.413 2.240) 2.651 16.233 ( 5.403 0.736 11.662) 12.874 16.945 ( -3.433 -7.096 13.332) 15.488 18.521 ( 4.786 7.651 18.381) 20.478 19.748 ( -2.426 -1.192 -2.386) 3.606 19.774 ( -2.673 -1.517 -3.002) 4.297 20.089 ( 4.501 -22.659 -0.644) 23.111 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 3.346 10.678 3.900) 11.850 1.920 ( 2.926 -0.463 5.033) 5.840 2.080 ( 4.608 6.749 7.346) 10.989 2.418 ( 1.224 -4.914 -2.011) 5.449 2.641 ( -1.175 -2.940 -7.193) 7.859 2.795 ( 0.790 -3.780 3.189) 5.008 2.939 ( -1.961 -2.066 -10.814) 11.183 3.014 ( -4.714 4.703 -0.385) 6.670 3.249 ( 7.130 7.262 6.891) 12.291 3.541 ( 5.024 -2.477 -3.321) 6.512 3.583 ( 15.507 -0.767 6.483) 16.825 4.187 ( -6.558 -5.881 -0.826) 8.847 4.288 ( 11.657 20.993 5.394) 24.611 5.062 ( 5.240 7.282 17.314) 19.500 5.587 ( 4.473 2.981 -4.635) 7.098 5.672 ( 3.127 -1.811 6.987) 7.866 6.224 ( 8.066 3.803 -7.187) 11.454 6.571 ( 5.852 -4.100 -7.154) 10.112 6.853 ( 2.385 7.899 6.796) 10.690 6.975 ( 4.730 3.557 -0.158) 5.921 7.306 ( 0.460 -9.538 -7.798) 12.328 7.818 ( -2.615 3.871 -9.455) 10.546 7.913 ( -1.869 8.451 9.613) 12.935 8.454 ( -6.329 0.842 -11.213) 12.903 8.663 ( -11.514 -4.790 -7.138) 14.369 8.757 ( -5.250 -7.092 1.867) 9.019 8.914 ( 6.696 5.835 -3.178) 9.433 9.006 ( -13.842 6.988 0.360) 15.510 9.751 ( -2.510 -4.600 6.377) 8.254 9.776 ( 6.349 5.157 1.481) 8.313 10.125 ( -1.612 -1.616 -10.765) 11.005 10.432 ( -4.225 -4.957 3.611) 7.447 10.729 ( -0.425 4.413 0.958) 4.536 10.789 ( 0.551 0.154 -1.534) 1.637 11.013 ( 9.139 -9.447 7.833) 15.302 11.346 ( 1.531 -1.048 4.535) 4.900 11.607 ( -4.266 3.721 -0.558) 5.688 11.877 ( -1.973 13.119 1.060) 13.309 12.040 ( 4.857 2.604 0.539) 5.537 12.640 ( -2.440 -6.540 -5.632) 8.969 12.766 ( -3.996 1.215 -3.181) 5.250 13.050 ( 0.171 -5.775 -5.000) 7.641 13.397 ( -0.505 -7.539 -9.277) 11.965 13.545 ( -4.784 -5.638 -2.327) 7.751 13.595 ( -1.290 1.622 -6.134) 6.474 13.882 ( 0.732 1.359 -4.939) 5.174 14.001 ( 0.776 7.053 -2.225) 7.437 14.343 ( -5.215 2.237 0.642) 5.711 14.704 ( 3.333 3.332 -7.870) 9.173 14.860 ( 1.446 -0.111 -8.115) 8.243 14.916 ( 0.634 0.939 -4.139) 4.291 15.067 ( -0.076 3.190 -3.892) 5.033 15.922 ( 0.229 -1.083 7.000) 7.087 16.113 ( 3.549 -1.972 0.282) 4.070 16.318 ( 3.525 -0.940 12.936) 13.441 16.896 ( -1.735 -6.744 14.082) 15.709 18.660 ( 9.194 6.909 13.831) 17.988 19.692 ( -5.696 -0.733 -4.819) 7.497 19.700 ( -1.998 -1.404 -6.527) 6.969 20.134 ( -0.693 -18.218 -6.730) 19.434 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -6.489 8.393 -6.454) 12.418 1.808 ( -10.717 4.809 -6.075) 13.224 2.286 ( 12.736 2.939 12.795) 18.291 2.523 ( 8.545 -1.313 3.410) 9.293 2.641 ( 1.339 -0.833 -6.900) 7.078 2.785 ( -2.702 -1.332 0.706) 3.094 2.885 ( -2.980 -1.882 -6.785) 7.646 2.929 ( -4.017 1.558 1.243) 4.484 3.350 ( 3.940 0.865 0.003) 4.034 3.616 ( 1.017 -2.531 -4.133) 4.952 3.866 ( 9.834 -8.481 9.671) 16.191 4.025 ( -5.125 -10.033 3.365) 11.757 4.600 ( 16.609 23.599 7.793) 29.892 5.147 ( 1.452 16.093 15.559) 22.431 5.759 ( 13.808 1.284 -5.184) 14.805 5.851 ( 15.091 -4.986 -0.150) 15.894 6.354 ( 4.565 0.873 -8.043) 9.289 6.656 ( 2.878 3.510 -7.954) 9.158 6.877 ( 0.992 11.414 2.318) 11.690 7.017 ( -0.974 -5.843 6.467) 8.770 7.422 ( 10.880 -4.913 -15.162) 19.297 7.655 ( -15.299 13.900 -0.895) 20.690 7.921 ( 3.351 6.116 -7.283) 10.084 8.223 ( -17.016 0.869 -14.264) 22.221 8.416 ( -11.888 -7.894 -12.003) 18.647 8.622 ( -9.360 -0.967 -6.176) 11.255 8.777 ( -2.676 1.096 -3.552) 4.580 9.074 ( 4.609 3.270 4.088) 6.975 9.639 ( -5.258 -2.005 4.400) 7.143 9.988 ( 13.234 1.697 7.904) 15.508 10.180 ( -10.809 3.446 0.100) 11.346 10.287 ( 7.109 -1.032 -3.866) 8.158 10.689 ( -4.459 3.642 1.785) 6.028 10.772 ( -2.250 -2.032 -3.532) 4.655 11.210 ( 9.945 -9.945 7.670) 16.020 11.383 ( 1.711 -6.678 8.376) 10.848 11.589 ( 2.857 7.292 3.687) 8.656 11.870 ( -0.441 10.989 6.783) 12.922 12.125 ( 4.158 1.166 1.801) 4.678 12.536 ( -7.647 -0.758 -0.464) 7.699 12.735 ( 0.580 -2.238 -7.245) 7.604 13.021 ( -3.393 -4.406 -5.267) 7.659 13.303 ( -6.383 -11.274 -6.634) 14.555 13.395 ( -6.308 -10.037 -1.413) 11.938 13.707 ( 7.324 6.290 -4.134) 10.502 13.893 ( 0.545 4.432 -5.184) 6.842 14.023 ( 1.422 3.951 -0.298) 4.210 14.240 ( -5.380 1.367 -0.411) 5.566 14.787 ( 4.445 1.218 -9.862) 10.886 14.877 ( 0.493 -0.132 -6.102) 6.124 14.923 ( -0.052 2.641 -4.788) 5.468 15.047 ( -2.177 1.808 -5.051) 5.790 15.951 ( 3.484 0.264 1.628) 3.855 16.151 ( 0.239 -0.313 -0.083) 0.403 16.402 ( 5.431 -3.351 15.374) 16.646 16.841 ( -4.720 -6.851 15.416) 17.518 18.871 ( 12.035 5.541 7.156) 15.058 19.550 ( -8.701 0.274 -5.640) 10.373 19.692 ( 1.647 -2.328 -11.177) 11.535 20.062 ( -6.247 -12.926 -10.384) 17.718 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -1.218 9.414 -8.983) 13.069 1.606 ( -8.012 8.310 -8.369) 14.258 2.513 ( 9.950 2.344 7.672) 12.781 2.661 ( -2.639 -0.091 2.795) 3.845 2.697 ( 5.983 -2.112 -1.892) 6.621 2.720 ( 1.318 0.956 -2.545) 3.022 2.816 ( -3.888 -1.311 -5.080) 6.531 2.849 ( -4.517 0.014 3.829) 5.922 3.432 ( 4.987 -1.551 -1.923) 5.565 3.549 ( -6.310 -2.153 -4.032) 7.791 3.963 ( 3.363 -13.165 9.394) 16.519 4.009 ( -0.468 -12.988 8.754) 15.669 4.892 ( 12.635 22.789 8.947) 27.551 5.087 ( -7.045 21.816 11.911) 25.835 6.088 ( 16.370 -4.847 -2.153) 17.208 6.183 ( 13.027 -12.068 -2.446) 17.925 6.398 ( 2.477 2.506 -3.889) 5.247 6.600 ( -10.188 7.050 -5.695) 13.636 6.936 ( 5.188 14.552 -6.293) 16.682 7.026 ( 0.617 7.666 -9.025) 11.857 7.353 ( -6.406 6.325 -2.505) 9.344 7.512 ( -10.606 -6.130 -11.635) 16.895 7.944 ( 5.492 -3.981 -16.393) 17.742 8.120 ( 6.081 7.162 -13.705) 16.616 8.180 ( -9.622 -3.903 -9.727) 14.228 8.377 ( -13.836 7.798 -14.057) 21.210 8.875 ( 9.338 -3.914 6.248) 11.897 9.052 ( -6.773 -1.905 7.616) 10.368 9.649 ( 6.737 3.203 1.299) 7.572 9.867 ( -14.524 4.122 1.076) 15.136 10.285 ( 14.372 0.756 7.529) 16.243 10.497 ( 5.431 -0.809 -3.485) 6.504 10.553 ( -4.903 2.537 3.186) 6.374 10.689 ( -6.501 -1.702 -3.805) 7.723 11.355 ( 4.526 -9.352 7.892) 13.047 11.400 ( -0.395 -9.143 8.791) 12.690 11.699 ( 7.366 8.317 9.131) 14.381 11.824 ( -4.554 8.870 10.268) 14.313 12.223 ( 6.248 1.546 0.716) 6.476 12.371 ( -8.538 0.782 0.070) 8.574 12.784 ( 4.553 -2.816 -7.703) 9.381 12.907 ( -7.342 -3.155 -7.524) 10.976 13.242 ( 0.531 -11.846 -0.871) 11.890 13.295 ( -4.157 -11.345 -1.108) 12.134 13.834 ( 5.141 6.769 -4.394) 9.569 13.894 ( -1.038 6.356 -4.902) 8.093 14.060 ( 2.676 1.568 0.044) 3.102 14.136 ( -4.939 0.959 -0.618) 5.069 14.864 ( 2.952 -0.049 -6.681) 7.304 14.885 ( 0.281 1.072 -4.422) 4.559 14.922 ( 0.836 1.993 -7.346) 7.657 14.982 ( -4.048 0.749 -7.820) 8.837 16.047 ( 5.329 1.273 -2.055) 5.852 16.128 ( -2.652 0.929 -1.796) 3.335 16.534 ( 8.094 -5.281 17.391) 19.896 16.705 ( -8.660 -6.390 17.194) 20.284 19.117 ( 12.661 3.684 0.493) 13.195 19.354 ( -11.275 1.795 -4.073) 12.122 19.770 ( 6.087 -4.640 -13.442) 15.469 19.914 ( -8.108 -8.270 -12.802) 17.263 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.000 8.189 14.656) 16.788 1.760 ( 0.000 10.088 6.577) 12.042 2.076 ( 0.000 2.671 4.868) 5.552 2.362 ( 0.000 -3.347 -3.954) 5.180 2.643 ( 0.000 -7.298 -0.036) 7.298 2.787 ( 0.000 0.576 9.649) 9.667 2.907 ( 0.000 4.153 -4.352) 6.016 2.946 ( 0.000 -9.230 0.533) 9.246 3.392 ( 0.000 7.309 -15.301) 16.957 3.401 ( 0.000 4.193 -4.073) 5.845 3.541 ( 0.000 13.365 -4.096) 13.979 4.167 ( 0.000 -14.447 -6.347) 15.780 4.562 ( 0.000 26.277 -1.328) 26.310 5.033 ( 0.000 1.677 22.902) 22.964 5.522 ( 0.000 -4.421 -4.113) 6.039 5.624 ( 0.000 -9.954 17.330) 19.985 6.132 ( 0.000 12.615 -17.324) 21.431 6.346 ( 0.000 9.504 15.796) 18.434 6.703 ( 0.000 -7.028 -15.385) 16.914 7.047 ( 0.000 -10.489 16.505) 19.556 7.461 ( 0.000 27.433 6.204) 28.126 7.805 ( 0.000 -4.891 -11.737) 12.715 7.866 ( 0.000 -7.794 10.908) 13.407 8.536 ( 0.000 -15.687 -0.844) 15.709 8.616 ( 0.000 7.815 -0.480) 7.830 8.866 ( 0.000 -0.592 -2.086) 2.168 8.981 ( 0.000 12.364 -2.624) 12.639 9.322 ( 0.000 -2.216 0.218) 2.226 9.665 ( 0.000 -1.102 1.346) 1.740 9.946 ( 0.000 -8.120 -1.841) 8.326 10.197 ( 0.000 -1.892 7.340) 7.580 10.378 ( 0.000 -7.311 8.757) 11.408 10.644 ( 0.000 2.296 -11.834) 12.055 10.672 ( 0.000 1.442 -1.547) 2.115 10.855 ( 0.000 6.915 4.304) 8.145 11.293 ( 0.000 -10.822 2.351) 11.074 11.763 ( 0.000 12.083 -3.286) 12.521 12.087 ( 0.000 11.306 1.943) 11.472 12.356 ( 0.000 -9.881 -8.716) 13.176 12.371 ( 0.000 -2.950 -15.802) 16.075 12.906 ( 0.000 1.499 -3.579) 3.880 12.991 ( 0.000 -2.891 -8.581) 9.055 13.255 ( 0.000 7.069 -0.678) 7.101 13.604 ( 0.000 -10.616 -4.654) 11.592 13.678 ( 0.000 0.277 -12.726) 12.729 13.743 ( 0.000 -0.999 1.126) 1.506 14.238 ( 0.000 11.016 -7.285) 13.207 14.647 ( 0.000 -7.968 -6.810) 10.482 14.665 ( 0.000 8.346 0.880) 8.392 14.826 ( 0.000 0.100 -6.538) 6.539 14.890 ( 0.000 3.690 -9.044) 9.768 15.039 ( 0.000 -1.008 -5.253) 5.349 15.836 ( 0.000 0.624 6.303) 6.334 15.967 ( 0.000 -6.035 1.753) 6.285 16.308 ( 0.000 9.486 17.176) 19.621 16.781 ( 0.000 -11.306 15.505) 19.190 18.699 ( 0.000 12.912 16.437) 20.902 19.461 ( 0.000 -23.732 13.275) 27.193 19.758 ( 0.000 -0.651 -1.932) 2.039 19.783 ( 0.000 -2.005 -2.490) 3.197 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 5.639 5.919 13.783) 16.026 1.850 ( 3.568 0.807 4.395) 5.718 2.135 ( 6.123 8.972 8.057) 13.524 2.405 ( 4.081 -0.794 -5.734) 7.083 2.608 ( -2.626 -4.572 0.927) 5.353 2.709 ( -5.748 0.594 4.227) 7.160 2.933 ( -0.321 0.086 -6.395) 6.404 2.985 ( 3.745 -10.829 4.041) 12.150 3.375 ( 0.506 8.678 -6.789) 11.030 3.434 ( 1.822 4.282 -10.775) 11.737 3.581 ( 3.794 11.157 -2.842) 12.122 4.116 ( -5.003 -12.909 -5.662) 14.958 4.626 ( 7.081 25.443 0.524) 26.415 5.055 ( 2.480 1.494 19.599) 19.811 5.502 ( 0.032 -3.339 6.316) 7.144 5.667 ( 3.161 -4.096 7.502) 9.113 6.202 ( 6.225 9.537 -16.261) 19.852 6.413 ( 6.399 7.154 11.361) 14.873 6.719 ( 2.011 -6.348 -9.661) 11.734 7.057 ( 0.611 -11.134 10.323) 15.195 7.433 ( -2.787 24.925 2.549) 25.210 7.826 ( 2.864 -1.878 -4.334) 5.524 7.874 ( 1.113 -5.756 6.349) 8.642 8.498 ( -2.950 -10.814 -2.153) 11.414 8.655 ( 1.350 0.866 -0.286) 1.629 8.807 ( -6.259 -1.217 -5.456) 8.392 9.005 ( 2.872 12.130 -1.062) 12.510 9.349 ( 0.107 -1.494 4.179) 4.439 9.681 ( 0.162 3.109 4.485) 5.459 9.883 ( -9.314 0.290 -7.394) 11.895 10.148 ( 0.155 -7.693 -1.375) 7.816 10.225 ( -5.416 -7.433 -0.227) 9.200 10.686 ( 3.550 -0.345 2.972) 4.642 10.767 ( 1.191 -2.610 0.175) 2.874 10.897 ( 5.003 8.110 4.917) 10.722 11.263 ( -2.257 -8.726 4.092) 9.899 11.789 ( 1.359 10.501 -3.145) 11.045 12.094 ( 0.433 8.393 0.893) 8.451 12.274 ( -7.335 6.222 -12.266) 15.588 12.395 ( 2.873 -11.721 -7.153) 14.029 12.913 ( -2.328 1.933 -4.336) 5.288 12.930 ( -1.641 -2.512 -6.536) 7.192 13.289 ( 0.250 -0.467 -4.620) 4.650 13.498 ( -7.177 -8.915 -4.395) 12.260 13.669 ( -1.024 1.752 -7.179) 7.460 13.802 ( 4.228 -2.068 -2.825) 5.489 14.217 ( -1.986 10.081 -6.620) 12.222 14.505 ( -7.515 -0.555 -3.077) 8.140 14.741 ( 1.396 2.153 -2.068) 3.295 14.814 ( 0.809 -0.371 -8.827) 8.872 14.936 ( 3.455 4.345 -6.700) 8.701 15.088 ( 3.168 0.010 -5.744) 6.560 15.864 ( 2.124 -0.767 6.589) 6.966 15.976 ( 1.290 -5.520 1.864) 5.968 16.326 ( 1.505 7.552 15.958) 17.719 16.752 ( -2.312 -10.498 15.342) 18.733 18.744 ( 4.586 13.162 14.937) 20.430 19.527 ( 5.321 -23.021 8.793) 25.211 19.738 ( -1.866 -0.862 -3.381) 3.957 19.763 ( -1.735 -2.653 -3.205) 4.508 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.195 1.440 2.491) 2.884 1.899 ( 9.287 -1.400 12.070) 15.294 2.184 ( -3.688 7.447 13.930) 16.221 2.517 ( 6.380 7.796 -9.601) 13.916 2.589 ( 2.071 -0.438 -1.316) 2.492 2.633 ( -1.668 -7.305 4.065) 8.524 2.894 ( -2.804 -3.013 -5.601) 6.950 3.014 ( -1.300 -6.970 -0.717) 7.126 3.408 ( 0.807 7.234 -4.308) 8.458 3.490 ( 4.763 1.819 -6.931) 8.605 3.672 ( 5.046 5.315 0.396) 7.340 3.983 ( -8.258 -9.946 -4.036) 13.543 4.845 ( 14.318 24.210 2.071) 28.203 5.156 ( 8.953 1.604 13.752) 16.488 5.562 ( 6.357 -1.127 6.975) 9.505 5.739 ( 4.021 2.636 4.557) 6.624 6.333 ( 6.370 6.991 -13.979) 16.878 6.570 ( 9.022 4.863 0.979) 10.296 6.786 ( 4.232 -6.603 5.670) 9.677 7.082 ( 3.437 -11.132 -8.261) 14.283 7.363 ( -4.116 22.080 -1.372) 22.502 7.898 ( 3.043 5.576 -6.029) 8.758 7.950 ( 7.082 -5.246 10.359) 13.601 8.411 ( -6.462 -7.412 -7.130) 12.146 8.598 ( -15.909 -1.596 -7.533) 17.675 8.613 ( -5.262 -3.664 2.177) 6.771 9.096 ( 5.283 9.062 0.923) 10.530 9.164 ( -17.001 7.410 -3.238) 18.826 9.647 ( -0.905 -3.236 1.056) 3.522 9.813 ( -0.518 -3.415 -0.636) 3.512 10.123 ( 7.568 2.372 -7.803) 11.126 10.329 ( 4.146 -5.036 0.092) 6.523 10.711 ( -2.235 -2.038 -1.230) 3.265 10.774 ( 2.952 -6.275 10.172) 12.311 10.965 ( 1.306 6.189 7.708) 9.971 11.230 ( -1.172 -7.073 7.366) 10.279 11.784 ( -1.166 10.907 -3.243) 11.439 12.087 ( -1.452 3.813 2.091) 4.584 12.179 ( -0.612 10.122 -7.620) 12.685 12.457 ( 2.702 -8.721 -3.741) 9.866 12.815 ( -5.409 2.754 -5.248) 8.025 12.937 ( -0.243 -3.994 -3.899) 5.587 13.209 ( -7.038 -7.960 -9.477) 14.237 13.340 ( -9.437 -10.925 -2.045) 14.581 13.709 ( 5.184 6.083 -3.896) 8.891 13.878 ( 3.643 -1.376 -3.876) 5.494 14.171 ( -2.392 7.925 -4.703) 9.521 14.373 ( -6.083 -0.318 -2.382) 6.541 14.767 ( 1.959 2.424 -5.997) 6.759 14.839 ( 1.294 -1.199 -6.994) 7.213 14.995 ( 1.942 5.290 -6.218) 8.392 15.119 ( -0.250 1.117 -5.306) 5.429 15.899 ( 1.959 -0.446 6.350) 6.661 16.033 ( 4.366 -5.254 2.415) 7.246 16.350 ( 0.646 4.576 14.423) 15.145 16.711 ( -1.963 -10.039 14.156) 17.465 18.870 ( 7.964 12.826 10.472) 18.374 19.601 ( 1.304 -14.188 -0.703) 14.265 19.678 ( -4.482 -0.453 -5.706) 7.270 19.745 ( 0.251 -9.831 -4.388) 10.768 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -2.393 6.578 3.341) 7.756 1.988 ( -6.880 12.370 6.078) 15.404 2.181 ( 10.093 -9.235 13.677) 19.345 2.594 ( -1.210 -9.909 6.256) 11.782 2.623 ( 4.290 3.748 -3.484) 6.677 2.685 ( 4.654 4.002 -6.030) 8.604 2.845 ( -1.936 -2.833 -5.669) 6.627 2.958 ( -3.832 -1.918 -1.357) 4.495 3.408 ( 0.186 4.758 -3.863) 6.131 3.565 ( 1.675 -1.401 -2.005) 2.964 3.748 ( 1.268 -2.873 3.865) 4.980 3.821 ( -6.670 -8.040 -1.357) 10.534 5.124 ( 13.508 21.970 3.573) 26.036 5.415 ( 14.620 7.106 10.300) 19.244 5.738 ( 10.338 -3.272 4.542) 11.756 5.824 ( 5.756 3.512 -1.166) 6.843 6.443 ( 5.293 7.885 -9.281) 13.279 6.750 ( 8.288 4.898 -10.269) 14.076 6.864 ( 5.036 -5.357 4.700) 8.726 7.226 ( 9.289 -10.668 -14.117) 19.984 7.280 ( -3.383 19.545 -3.273) 20.103 7.893 ( -8.292 8.933 -9.309) 15.337 8.023 ( -5.022 -2.985 0.207) 5.846 8.212 ( -15.741 -8.428 -14.162) 22.790 8.283 ( -5.409 5.228 -5.643) 9.404 8.542 ( 1.684 -5.093 8.267) 9.854 8.868 ( -12.298 6.944 -6.325) 15.474 9.127 ( -3.720 -0.134 4.911) 6.162 9.631 ( 3.054 2.712 -0.589) 4.126 9.940 ( 11.124 -6.235 -1.190) 12.807 10.262 ( -9.416 3.661 0.674) 10.125 10.344 ( 11.650 5.585 -1.297) 12.984 10.635 ( -5.006 -3.829 0.270) 6.308 10.844 ( 0.375 0.966 6.722) 6.801 11.000 ( 4.411 -6.059 10.456) 12.865 11.202 ( -1.675 -8.661 9.861) 13.231 11.803 ( 3.868 11.733 -0.322) 12.359 12.059 ( -0.990 4.853 4.147) 6.460 12.219 ( 3.391 7.698 -4.150) 9.380 12.468 ( -2.399 -5.666 -2.848) 6.780 12.724 ( -3.014 2.060 -4.306) 5.645 12.912 ( -2.287 -5.380 -4.082) 7.130 13.055 ( -8.191 -10.418 -7.883) 15.420 13.158 ( -7.987 -11.560 -0.876) 14.078 13.837 ( 7.111 5.567 -2.853) 9.471 13.949 ( 3.553 0.757 -4.160) 5.523 14.129 ( -1.902 5.358 -2.748) 6.315 14.260 ( -5.552 0.008 -2.013) 5.906 14.816 ( 2.857 1.479 -7.355) 8.028 14.867 ( 1.769 -0.638 -6.490) 6.757 15.000 ( -1.312 3.921 -6.097) 7.366 15.080 ( -3.540 0.818 -5.278) 6.407 15.971 ( 5.659 1.935 4.309) 7.372 16.125 ( 4.458 -2.879 3.076) 6.134 16.354 ( 0.168 0.606 13.393) 13.408 16.653 ( -4.544 -10.105 13.393) 17.382 19.044 ( 9.539 10.766 4.199) 14.984 19.564 ( -6.588 0.901 -6.636) 9.394 19.610 ( 0.235 -7.000 -8.211) 10.792 19.742 ( -1.210 -13.633 -6.798) 15.282 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 1.081 12.458 4.245) 13.206 1.843 ( -5.988 14.246 5.422) 16.377 2.388 ( 9.434 -12.722 9.002) 18.218 2.532 ( -5.181 -13.426 7.601) 16.275 2.709 ( 3.835 2.441 -5.318) 6.996 2.747 ( 0.839 3.618 -5.774) 6.865 2.827 ( 0.673 0.956 -3.033) 3.250 2.879 ( -3.890 0.541 0.113) 3.929 3.439 ( 3.272 2.751 -2.596) 5.001 3.529 ( -4.899 1.015 -2.167) 5.452 3.728 ( 0.569 -8.997 4.379) 10.022 3.765 ( -2.060 -9.170 4.585) 10.457 5.371 ( 11.256 20.122 5.915) 23.803 5.531 ( -3.539 17.993 10.201) 20.984 5.939 ( 8.942 -10.235 0.288) 13.594 5.976 ( 5.663 -5.260 -0.600) 7.752 6.582 ( 10.087 13.192 -7.183) 18.093 6.783 ( -6.366 9.193 -11.204) 15.829 7.062 ( 14.473 -2.162 -12.108) 18.993 7.274 ( 6.697 15.867 -5.642) 18.123 7.323 ( -6.045 -10.510 -15.948) 20.034 7.551 ( -19.840 9.521 -10.291) 24.294 7.843 ( -1.819 -5.154 -17.344) 18.185 7.979 ( -11.004 -12.034 -10.605) 19.452 8.367 ( 9.992 11.756 0.213) 15.430 8.570 ( -7.901 9.592 0.512) 12.438 8.767 ( 7.811 -5.708 6.101) 11.438 8.975 ( -10.471 -5.687 8.301) 14.522 9.775 ( 10.356 8.791 -1.656) 13.685 10.006 ( -12.065 8.701 -1.102) 14.916 10.210 ( 12.516 -7.336 -0.726) 14.526 10.436 ( -7.699 -7.612 -4.239) 11.628 10.613 ( 7.435 6.922 7.952) 12.901 10.767 ( -6.718 6.938 8.170) 12.650 11.105 ( 4.561 -13.341 9.609) 17.062 11.167 ( -2.117 -11.799 10.222) 15.754 11.922 ( 7.274 12.127 3.450) 14.556 12.032 ( -2.955 10.022 5.378) 11.752 12.288 ( 3.620 3.706 -3.000) 5.986 12.376 ( -5.556 -1.784 -3.244) 6.677 12.719 ( 2.506 -1.734 -5.311) 6.123 12.817 ( -6.846 -4.648 -7.274) 11.017 12.972 ( 0.717 -12.132 -1.114) 12.205 13.034 ( -4.908 -12.276 -0.675) 13.238 13.967 ( 5.544 5.236 -3.267) 8.296 14.010 ( 1.872 3.925 -4.624) 6.347 14.098 ( -0.606 1.872 -1.118) 2.263 14.153 ( -5.167 0.296 -1.601) 5.418 14.878 ( 3.390 1.203 -6.335) 7.285 14.909 ( 2.086 0.808 -5.460) 5.900 14.958 ( -2.176 1.438 -6.765) 7.251 14.997 ( -4.337 0.344 -6.370) 7.714 16.097 ( 6.104 3.596 2.100) 7.389 16.172 ( -0.776 3.371 2.282) 4.144 16.393 ( 4.896 -7.094 13.759) 16.236 16.529 ( -7.636 -9.486 13.562) 18.227 19.234 ( 9.616 7.407 -1.827) 12.275 19.413 ( -8.544 3.911 -5.731) 11.007 19.638 ( 2.462 -7.778 -10.579) 13.359 19.696 ( -3.101 -10.874 -9.674) 14.882 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 -3.309 4.578) 5.648 1.799 ( 0.000 3.309 4.578) 5.648 2.256 ( 0.000 -7.438 -1.075) 7.515 2.256 ( 0.000 7.438 -1.075) 7.515 2.620 ( 0.000 -8.058 13.229) 15.489 2.620 ( 0.000 8.058 13.229) 15.489 2.927 ( 0.000 -2.342 -6.428) 6.841 2.927 ( 0.000 2.342 -6.428) 6.841 3.470 ( 0.000 -0.176 -12.866) 12.868 3.470 ( 0.000 0.176 -12.866) 12.868 3.848 ( 0.000 -15.217 -6.051) 16.376 3.848 ( 0.000 15.217 -6.051) 16.376 4.966 ( 0.000 -10.473 7.712) 13.006 4.966 ( 0.000 10.473 7.712) 13.006 5.481 ( 0.000 -2.392 13.341) 13.554 5.481 ( 0.000 2.392 13.341) 13.554 6.388 ( 0.000 -9.476 -17.106) 19.555 6.388 ( 0.000 9.476 -17.106) 19.555 6.751 ( 0.000 -14.077 18.391) 23.161 6.751 ( 0.000 14.077 18.391) 23.161 7.753 ( 0.000 -0.790 -0.599) 0.991 7.753 ( 0.000 0.790 -0.599) 0.991 8.078 ( 0.000 -26.457 2.645) 26.589 8.078 ( 0.000 26.457 2.645) 26.589 8.775 ( 0.000 -6.596 -2.371) 7.010 8.775 ( 0.000 6.596 -2.371) 7.010 9.215 ( 0.000 -8.224 -0.515) 8.240 9.215 ( 0.000 8.224 -0.515) 8.240 9.750 ( 0.000 -8.097 -0.109) 8.097 9.750 ( 0.000 8.097 -0.109) 8.097 10.238 ( 0.000 -4.856 8.151) 9.488 10.238 ( 0.000 4.856 8.151) 9.488 10.678 ( 0.000 -0.822 -7.289) 7.335 10.678 ( 0.000 0.822 -7.289) 7.335 11.052 ( 0.000 -11.037 3.776) 11.665 11.052 ( 0.000 11.037 3.776) 11.665 12.045 ( 0.000 -14.335 -4.661) 15.074 12.045 ( 0.000 14.335 -4.661) 15.074 12.303 ( 0.000 -7.725 -5.372) 9.409 12.303 ( 0.000 7.725 -5.372) 9.409 12.948 ( 0.000 -1.966 -7.034) 7.303 12.948 ( 0.000 1.966 -7.034) 7.303 13.405 ( 0.000 -7.775 -5.487) 9.517 13.405 ( 0.000 7.775 -5.487) 9.517 13.706 ( 0.000 -2.065 -4.275) 4.748 13.706 ( 0.000 2.065 -4.275) 4.748 14.459 ( 0.000 -9.709 -6.780) 11.842 14.459 ( 0.000 9.709 -6.780) 11.842 14.799 ( 0.000 -3.470 -4.579) 5.745 14.799 ( 0.000 3.470 -4.579) 5.745 14.976 ( 0.000 -4.315 -6.287) 7.626 14.976 ( 0.000 4.315 -6.287) 7.626 15.868 ( 0.000 -2.906 3.404) 4.476 15.868 ( 0.000 2.906 3.404) 4.476 16.535 ( 0.000 -11.518 17.208) 20.707 16.535 ( 0.000 11.518 17.208) 20.707 19.021 ( 0.000 -17.734 14.834) 23.120 19.021 ( 0.000 17.734 14.834) 23.120 19.756 ( 0.000 -0.574 -2.567) 2.631 19.756 ( 0.000 0.574 -2.567) 2.631 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 1.117 -3.604 6.347) 7.384 1.803 ( 1.117 3.604 6.347) 7.384 2.332 ( 5.571 -5.713 -2.050) 8.239 2.332 ( 5.571 5.713 -2.050) 8.239 2.638 ( 1.423 -9.577 13.590) 16.687 2.638 ( 1.423 9.577 13.590) 16.687 2.887 ( -3.057 -4.202 -7.268) 8.935 2.887 ( -3.057 4.202 -7.268) 8.935 3.485 ( 1.478 -1.056 -12.389) 12.521 3.485 ( 1.478 1.056 -12.389) 12.521 3.837 ( -1.260 -12.943 -5.395) 14.079 3.837 ( -1.260 12.943 -5.395) 14.079 4.997 ( 3.790 -8.870 7.850) 12.437 4.997 ( 3.790 8.870 7.850) 12.437 5.533 ( 4.988 -6.316 10.876) 13.530 5.533 ( 4.988 6.316 10.876) 13.530 6.430 ( 4.136 -9.527 -13.730) 17.216 6.430 ( 4.136 9.527 -13.730) 17.216 6.768 ( 1.784 -13.407 13.976) 19.449 6.768 ( 1.784 13.407 13.976) 19.449 7.741 ( -0.591 -4.293 -0.806) 4.408 7.741 ( -0.591 4.293 -0.806) 4.408 8.097 ( 1.661 -23.132 2.047) 23.281 8.097 ( 1.661 23.132 2.047) 23.281 8.743 ( -4.043 -4.548 -3.226) 6.887 8.743 ( -4.043 4.548 -3.226) 6.887 9.230 ( 1.676 -8.503 1.201) 8.750 9.230 ( 1.676 8.503 1.201) 8.750 9.819 ( 1.401 -6.759 0.914) 6.963 9.819 ( 1.401 6.759 0.914) 6.963 10.087 ( -6.705 -3.351 -2.798) 8.001 10.087 ( -6.705 3.351 -2.798) 8.001 10.715 ( 1.041 -2.358 1.008) 2.768 10.715 ( 1.041 2.358 1.008) 2.768 11.071 ( 1.747 -8.642 5.278) 10.276 11.071 ( 1.747 8.642 5.278) 10.276 12.041 ( -0.639 -12.330 -5.220) 13.404 12.041 ( -0.639 12.330 -5.220) 13.404 12.313 ( 0.858 -4.250 -3.951) 5.866 12.313 ( 0.858 4.250 -3.951) 5.866 12.925 ( -2.096 -0.873 -7.120) 7.473 12.925 ( -2.096 0.873 -7.120) 7.473 13.327 ( -7.177 -5.289 -5.552) 10.503 13.327 ( -7.177 5.289 -5.552) 10.503 13.740 ( 3.145 -3.690 -3.864) 6.200 13.740 ( 3.145 3.690 -3.864) 6.200 14.408 ( -4.448 -7.537 -5.888) 10.548 14.408 ( -4.448 7.537 -5.888) 10.548 14.793 ( 0.165 -1.960 -5.212) 5.570 14.793 ( 0.165 1.960 -5.212) 5.570 15.039 ( 4.474 -4.380 -6.430) 8.975 15.039 ( 4.474 4.380 -6.430) 8.975 15.880 ( 1.352 -2.757 4.094) 5.117 15.880 ( 1.352 2.757 4.094) 5.117 16.524 ( -0.950 -10.547 16.396) 19.518 16.524 ( -0.950 10.547 16.396) 19.518 19.078 ( 5.309 -18.482 12.369) 22.864 19.078 ( 5.309 18.482 12.369) 22.864 19.735 ( -2.064 -0.523 -3.690) 4.260 19.735 ( -2.064 0.523 -3.690) 4.260 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 4.152 -1.673 8.076) 9.234 1.856 ( 4.152 1.673 8.076) 9.234 2.389 ( -0.963 -9.561 4.996) 10.831 2.389 ( -0.963 9.561 4.996) 10.831 2.660 ( 1.259 -5.033 3.757) 6.406 2.660 ( 1.259 5.033 3.757) 6.406 2.854 ( -0.010 -5.379 -5.380) 7.608 2.854 ( -0.010 5.379 -5.380) 7.608 3.516 ( 1.107 -1.694 -9.646) 9.856 3.516 ( 1.107 1.694 -9.646) 9.856 3.796 ( -2.928 -7.175 -3.613) 8.550 3.796 ( -2.928 7.175 -3.613) 8.550 5.141 ( 11.205 -4.227 5.849) 13.328 5.141 ( 11.205 4.227 5.849) 13.328 5.660 ( 7.475 -8.393 6.741) 13.105 5.660 ( 7.475 8.393 6.741) 13.105 6.536 ( 6.126 -10.393 -4.937) 13.036 6.536 ( 6.126 10.393 -4.937) 13.036 6.827 ( 4.580 -11.652 -0.085) 12.520 6.827 ( 4.580 11.652 -0.085) 12.520 7.746 ( 0.779 -13.077 -1.286) 13.163 7.746 ( 0.779 13.077 -1.286) 13.163 8.134 ( 1.804 -15.567 -1.194) 15.717 8.134 ( 1.804 15.567 -1.194) 15.717 8.590 ( -11.465 -0.533 -1.655) 11.597 8.590 ( -11.465 0.533 -1.655) 11.597 9.229 ( -5.025 -2.581 2.846) 6.325 9.229 ( -5.025 2.581 2.846) 6.325 9.683 ( -4.503 -6.344 -7.302) 10.670 9.683 ( -4.503 6.344 -7.302) 10.670 10.212 ( 11.935 -5.494 -2.206) 13.323 10.212 ( 11.935 5.494 -2.206) 13.323 10.691 ( -2.518 -0.899 6.034) 6.600 10.691 ( -2.518 0.899 6.034) 6.600 11.096 ( -0.030 -5.779 8.822) 10.547 11.096 ( -0.030 5.779 8.822) 10.547 12.018 ( -1.187 -9.804 -5.035) 11.085 12.018 ( -1.187 9.804 -5.035) 11.085 12.334 ( 1.394 -4.927 -2.103) 5.536 12.334 ( 1.394 4.927 -2.103) 5.536 12.875 ( -2.963 -3.039 -6.218) 7.528 12.875 ( -2.963 3.039 -6.218) 7.528 13.154 ( -9.855 -4.409 -5.152) 11.963 13.154 ( -9.855 4.409 -5.152) 11.963 13.821 ( 4.941 -4.124 -3.297) 7.232 13.821 ( 4.941 4.124 -3.297) 7.232 14.314 ( -4.763 -5.117 -4.389) 8.254 14.314 ( -4.763 5.117 -4.389) 8.254 14.810 ( 1.445 -1.650 -6.300) 6.671 14.810 ( 1.445 1.650 -6.300) 6.671 15.096 ( 0.712 -3.387 -6.236) 7.132 15.096 ( 0.712 3.387 -6.236) 7.132 15.930 ( 3.966 -3.602 5.253) 7.503 15.930 ( 3.966 3.602 5.253) 7.503 16.501 ( -1.528 -9.117 14.227) 16.966 16.501 ( -1.528 9.117 14.227) 16.966 19.201 ( 6.582 -18.270 6.572) 20.502 19.201 ( 6.582 18.270 6.572) 20.502 19.680 ( -3.398 -0.811 -6.203) 7.119 19.680 ( -3.398 0.811 -6.203) 7.119 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 5.765 -9.347 8.703) 14.012 1.956 ( 5.765 9.347 8.703) 14.012 2.309 ( -5.914 -14.888 10.220) 19.001 2.309 ( -5.914 14.888 10.220) 19.001 2.707 ( 3.332 -5.109 -3.566) 7.066 2.707 ( 3.332 5.109 -3.566) 7.066 2.862 ( 0.145 -5.746 -3.520) 6.740 2.862 ( 0.145 5.746 -3.520) 6.740 3.521 ( -0.095 -4.380 -4.440) 6.237 3.521 ( -0.095 4.380 -4.440) 6.237 3.722 ( -4.663 -0.891 -1.515) 4.983 3.722 ( -4.663 0.891 -1.515) 4.983 5.415 ( 15.552 -6.378 2.169) 16.948 5.415 ( 15.552 6.378 2.169) 16.948 5.801 ( 5.991 -5.958 5.873) 10.290 5.801 ( 5.991 5.958 5.873) 10.290 6.659 ( 7.207 -10.518 -2.831) 13.061 6.659 ( 7.207 10.518 -2.831) 13.061 6.958 ( 8.210 -11.429 -12.736) 18.980 6.958 ( 8.210 11.429 -12.736) 18.980 7.730 ( -3.348 -19.990 -2.885) 20.472 7.730 ( -3.348 19.990 -2.885) 20.472 8.066 ( -13.774 -7.164 -15.977) 22.278 8.066 ( -13.774 7.164 -15.977) 22.278 8.426 ( 1.372 -6.248 8.953) 11.003 8.426 ( 1.372 6.248 8.953) 11.003 9.036 ( -11.671 -7.579 1.909) 14.046 9.036 ( -11.671 7.579 1.909) 14.046 9.766 ( 9.917 -8.783 -4.701) 14.056 9.766 ( 9.917 8.783 -4.701) 14.056 10.358 ( -0.113 -4.354 -3.077) 5.333 10.358 ( -0.113 4.354 -3.077) 5.333 10.686 ( 4.092 -8.739 8.864) 13.103 10.686 ( 4.092 8.739 8.864) 13.103 11.052 ( -4.327 -5.624 11.364) 13.397 11.052 ( -4.327 5.624 11.364) 13.397 12.034 ( 3.512 -8.042 -3.446) 9.428 12.034 ( 3.512 8.042 -3.446) 9.428 12.356 ( 0.068 -4.983 -1.297) 5.150 12.356 ( 0.068 4.983 -1.297) 5.150 12.807 ( -3.812 -4.899 -4.561) 7.703 12.807 ( -3.812 4.899 -4.561) 7.703 12.965 ( -8.818 -4.022 -4.050) 10.504 12.965 ( -8.818 4.022 -4.050) 10.504 13.927 ( 5.754 -2.742 -2.913) 7.008 13.927 ( 5.754 2.742 -2.913) 7.008 14.226 ( -4.321 -3.324 -3.228) 6.336 14.226 ( -4.321 3.324 -3.228) 6.336 14.847 ( 2.363 -1.327 -6.808) 7.328 14.847 ( 2.363 1.327 -6.808) 7.328 15.067 ( -3.237 -2.053 -5.745) 6.907 15.067 ( -3.237 2.053 -5.745) 6.907 16.039 ( 7.044 -4.275 5.966) 10.173 16.039 ( 7.044 4.275 5.966) 10.173 16.452 ( -3.816 -7.941 11.619) 14.582 16.452 ( -3.816 7.941 11.619) 14.582 19.322 ( 5.732 -15.127 -0.000) 16.176 19.322 ( 5.732 15.127 -0.000) 16.176 19.606 ( -4.083 -2.851 -8.191) 9.586 19.606 ( -4.083 2.851 -8.191) 9.586 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 5.982 -15.433 9.248) 18.960 2.073 ( 5.982 15.433 9.248) 18.960 2.189 ( -6.026 -17.379 10.081) 20.975 2.189 ( -6.026 17.379 10.081) 20.975 2.778 ( 3.706 -2.843 -3.942) 6.112 2.778 ( 3.706 2.843 -3.942) 6.112 2.842 ( -2.379 -2.607 -3.814) 5.196 2.842 ( -2.379 2.607 -3.814) 5.196 3.541 ( 2.661 -5.273 -0.593) 5.936 3.541 ( 2.661 5.273 -0.593) 5.936 3.622 ( -5.111 -3.840 -0.089) 6.393 3.622 ( -5.111 3.840 -0.089) 6.393 5.694 ( 11.773 -9.902 2.675) 15.614 5.694 ( 11.773 9.902 2.675) 15.614 5.843 ( -2.749 -7.404 5.648) 9.709 5.843 ( -2.749 7.404 5.648) 9.709 6.864 ( 13.588 -8.371 -10.314) 19.002 6.864 ( 13.588 8.371 -10.314) 19.002 7.061 ( -1.637 -8.789 -14.571) 17.095 7.061 ( -1.637 8.789 -14.571) 17.095 7.637 ( -3.105 -13.222 -7.049) 15.302 7.637 ( -3.105 13.222 -7.049) 15.302 7.740 ( -13.476 -2.499 -18.581) 23.089 7.740 ( -13.476 2.499 -18.581) 23.089 8.585 ( 11.320 -8.248 8.460) 16.363 8.585 ( 11.320 8.248 8.460) 16.363 8.812 ( -11.407 -9.155 5.350) 15.574 8.812 ( -11.407 9.155 5.350) 15.574 9.996 ( 12.625 -10.867 -3.208) 16.964 9.996 ( 12.625 10.867 -3.208) 16.964 10.231 ( -10.570 -10.562 -2.961) 15.233 10.231 ( -10.570 10.562 -2.961) 15.233 10.816 ( 7.213 -10.934 10.141) 16.566 10.816 ( 7.213 10.934 10.141) 16.566 10.946 ( -6.118 -8.016 11.724) 15.464 10.946 ( -6.118 8.016 11.724) 15.464 12.154 ( 7.998 -5.321 -2.101) 9.833 12.154 ( 7.998 5.321 -2.101) 9.833 12.303 ( -5.892 -0.820 -1.395) 6.110 12.303 ( -5.892 0.820 -1.395) 6.110 12.763 ( 0.373 -4.122 -3.324) 5.308 12.763 ( 0.373 4.122 -3.324) 5.308 12.824 ( -5.441 -4.643 -2.936) 7.732 12.824 ( -5.441 4.643 -2.936) 7.732 14.039 ( 5.482 -1.251 -2.691) 6.234 14.039 ( 5.482 1.251 -2.691) 6.234 14.139 ( -4.703 -1.652 -2.697) 5.667 14.139 ( -4.703 1.652 -2.697) 5.667 14.906 ( 3.678 -1.072 -6.428) 7.483 14.906 ( 3.678 1.072 -6.428) 7.483 14.988 ( -4.469 -1.195 -5.810) 7.426 14.988 ( -4.469 1.195 -5.810) 7.426 16.193 ( 8.303 -4.373 7.074) 11.752 16.193 ( 8.303 4.373 7.074) 11.752 16.346 ( -6.887 -6.021 9.102) 12.904 16.346 ( -6.887 6.021 9.102) 12.904 19.427 ( 5.034 -10.518 -5.321) 12.817 19.427 ( 5.034 10.518 -5.321) 12.817 19.521 ( -4.581 -6.227 -8.108) 11.203 19.521 ( -4.581 6.227 -8.108) 11.203 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 0.000 7.291) 7.291 1.840 ( 0.000 0.000 21.451) 21.451 1.930 ( 0.000 0.000 -15.158) 15.158 2.448 ( 0.000 0.000 2.087) 2.087 2.611 ( 0.000 0.000 -8.280) 8.280 2.733 ( 0.000 0.000 -9.371) 9.371 2.820 ( 0.000 0.000 -3.024) 3.024 3.047 ( 0.000 0.000 -9.917) 9.917 3.087 ( 0.000 0.000 8.665) 8.665 3.448 ( 0.000 0.000 2.348) 2.348 3.632 ( 0.000 0.000 26.084) 26.084 3.892 ( 0.000 0.000 14.321) 14.321 4.462 ( 0.000 0.000 -5.899) 5.899 5.029 ( 0.000 0.000 -15.664) 15.664 5.490 ( 0.000 0.000 21.383) 21.383 5.797 ( 0.000 0.000 -5.861) 5.861 6.220 ( 0.000 0.000 13.056) 13.056 6.354 ( 0.000 0.000 -24.617) 24.617 6.620 ( 0.000 0.000 22.202) 22.202 6.734 ( 0.000 0.000 2.786) 2.786 7.398 ( 0.000 0.000 -23.282) 23.282 7.654 ( 0.000 0.000 17.847) 17.847 8.315 ( 0.000 0.000 -6.775) 6.775 8.593 ( 0.000 0.000 -5.615) 5.615 8.681 ( 0.000 0.000 9.253) 9.253 8.755 ( 0.000 0.000 26.932) 26.932 8.757 ( 0.000 0.000 -7.817) 7.817 9.146 ( 0.000 0.000 -15.624) 15.624 9.851 ( 0.000 0.000 -12.374) 12.374 10.091 ( 0.000 0.000 2.724) 2.724 10.216 ( 0.000 0.000 -11.493) 11.493 10.217 ( 0.000 0.000 -9.671) 9.671 10.611 ( 0.000 0.000 8.967) 8.967 10.907 ( 0.000 0.000 10.241) 10.241 10.938 ( 0.000 0.000 6.362) 6.362 11.385 ( 0.000 0.000 -3.874) 3.874 11.411 ( 0.000 0.000 -2.069) 2.069 11.833 ( 0.000 0.000 -17.235) 17.235 11.970 ( 0.000 0.000 12.609) 12.609 12.555 ( 0.000 0.000 -4.603) 4.603 12.897 ( 0.000 0.000 -13.205) 13.205 13.016 ( 0.000 0.000 1.240) 1.240 13.104 ( 0.000 0.000 9.568) 9.568 13.326 ( 0.000 0.000 -15.304) 15.304 13.704 ( 0.000 0.000 -7.376) 7.376 13.727 ( 0.000 0.000 -7.830) 7.830 13.952 ( 0.000 0.000 4.333) 4.333 14.506 ( 0.000 0.000 -13.279) 13.279 14.559 ( 0.000 0.000 6.856) 6.856 14.613 ( 0.000 0.000 -3.498) 3.498 14.850 ( 0.000 0.000 -4.766) 4.766 14.889 ( 0.000 0.000 -3.333) 3.333 16.039 ( 0.000 0.000 7.253) 7.253 16.160 ( 0.000 0.000 1.073) 1.073 16.484 ( 0.000 0.000 19.830) 19.830 17.205 ( 0.000 0.000 1.280) 1.280 18.845 ( 0.000 0.000 21.522) 21.522 19.736 ( 0.000 0.000 -6.184) 6.184 19.797 ( 0.000 0.000 2.059) 2.059 20.191 ( 0.000 0.000 -7.845) 7.845 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -2.569 0.000 2.387) 3.507 1.866 ( -6.287 0.000 -14.870) 16.144 1.969 ( 11.435 0.000 17.187) 20.643 2.484 ( 3.386 0.000 3.232) 4.681 2.585 ( -2.090 0.000 -6.787) 7.101 2.754 ( 0.864 0.000 -8.722) 8.765 2.838 ( 1.808 0.000 -1.936) 2.649 3.015 ( -0.328 0.000 -0.501) 0.599 3.179 ( 6.220 0.000 0.195) 6.224 3.431 ( -0.812 0.000 -0.407) 0.908 3.706 ( 7.971 0.000 24.995) 26.235 3.979 ( 8.680 0.000 13.943) 16.424 4.412 ( -4.750 0.000 -4.673) 6.663 5.066 ( 3.347 0.000 -13.558) 13.965 5.470 ( -1.181 0.000 19.087) 19.124 5.864 ( 5.591 0.000 0.687) 5.633 6.233 ( 0.907 0.000 10.925) 10.962 6.380 ( 1.057 0.000 -14.855) 14.893 6.614 ( 3.044 0.000 6.007) 6.734 6.720 ( -1.200 0.000 2.563) 2.830 7.417 ( 1.592 0.000 -21.422) 21.481 7.720 ( 4.410 0.000 17.520) 18.067 8.230 ( -23.536 0.000 12.193) 26.507 8.283 ( -3.324 0.000 -10.836) 11.335 8.653 ( 5.254 0.000 -3.618) 6.380 8.712 ( -4.154 0.000 -8.347) 9.323 9.045 ( -2.459 0.000 5.133) 5.691 9.078 ( -6.782 0.000 -11.206) 13.098 9.623 ( -2.498 0.000 -1.164) 2.756 9.983 ( -5.833 0.000 4.348) 7.276 10.164 ( -6.374 0.000 -6.712) 9.256 10.446 ( 12.874 0.000 -6.257) 14.314 10.685 ( 2.155 0.000 4.490) 4.980 10.723 ( -5.020 0.000 1.882) 5.361 11.173 ( 11.325 0.000 10.946) 15.750 11.309 ( -0.862 0.000 2.116) 2.285 11.598 ( 11.396 0.000 -4.199) 12.145 11.726 ( -8.293 0.000 -10.789) 13.608 11.986 ( 1.883 0.000 10.776) 10.939 12.574 ( 1.669 0.000 -4.849) 5.128 12.818 ( -6.007 0.000 -7.290) 9.446 13.036 ( 1.521 0.000 -1.058) 1.853 13.204 ( 7.839 0.000 3.415) 8.551 13.289 ( -3.017 0.000 -15.935) 16.218 13.658 ( -4.760 0.000 -8.488) 9.732 13.726 ( -0.066 0.000 -7.298) 7.298 13.956 ( 0.442 0.000 3.961) 3.985 14.410 ( -5.998 0.000 -5.509) 8.144 14.575 ( -1.913 0.000 -0.710) 2.040 14.645 ( 4.993 0.000 -0.946) 5.082 14.884 ( -0.446 0.000 -3.184) 3.215 14.898 ( 3.306 0.000 -5.554) 6.464 16.078 ( 2.798 0.000 5.393) 6.076 16.127 ( -2.960 0.000 1.992) 3.568 16.534 ( 4.657 0.000 17.720) 18.322 17.186 ( -1.166 0.000 2.773) 3.008 18.860 ( 1.475 0.000 19.796) 19.851 19.696 ( -4.066 0.000 -6.440) 7.616 19.741 ( -5.380 0.000 0.986) 5.469 20.175 ( -2.076 0.000 -9.803) 10.021 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -10.715 0.000 -7.675) 13.180 1.692 ( -11.628 0.000 -15.570) 19.433 2.208 ( 11.700 0.000 9.282) 14.935 2.543 ( -1.908 0.000 -4.114) 4.535 2.578 ( 6.344 0.000 6.812) 9.308 2.745 ( -1.386 0.000 -4.629) 4.832 2.887 ( 2.878 0.000 0.124) 2.880 3.022 ( -0.416 0.000 1.440) 1.499 3.283 ( 3.742 0.000 0.304) 3.754 3.457 ( 3.247 0.000 -5.990) 6.814 3.961 ( 17.719 0.000 18.604) 25.692 4.211 ( 14.125 0.000 12.540) 18.889 4.310 ( -4.274 0.000 -0.015) 4.274 5.126 ( 1.567 0.000 -6.068) 6.267 5.500 ( 5.757 0.000 11.140) 12.540 5.941 ( 1.164 0.000 14.783) 14.829 6.243 ( 0.241 0.000 4.553) 4.560 6.431 ( 6.991 0.000 -9.334) 11.662 6.691 ( -2.090 0.000 2.996) 3.653 6.804 ( 14.913 0.000 -13.245) 19.945 7.430 ( -1.717 0.000 -17.147) 17.233 7.704 ( -8.183 0.000 9.322) 12.404 7.822 ( -17.273 0.000 5.040) 17.993 8.183 ( -7.816 0.000 -11.781) 14.138 8.582 ( -8.662 0.000 -6.839) 11.036 8.622 ( -29.018 0.000 -18.481) 34.404 8.760 ( 2.739 0.000 -4.832) 5.554 8.972 ( 0.897 0.000 0.058) 0.899 9.878 ( 18.292 0.000 15.723) 24.121 9.954 ( -0.686 0.000 4.657) 4.707 9.998 ( -5.621 0.000 -2.648) 6.214 10.599 ( -11.164 0.000 1.662) 11.287 10.619 ( 4.574 0.000 -3.924) 6.026 10.678 ( -1.692 0.000 -4.336) 4.654 11.350 ( 7.451 0.000 8.919) 11.622 11.376 ( 7.887 0.000 7.247) 10.711 11.635 ( 0.076 0.000 -0.279) 0.290 11.794 ( 7.613 0.000 3.026) 8.193 12.061 ( 5.867 0.000 4.388) 7.326 12.603 ( 1.080 0.000 -4.167) 4.305 12.693 ( -6.657 0.000 -3.860) 7.695 13.049 ( -0.804 0.000 -2.282) 2.420 13.241 ( -1.269 0.000 -16.929) 16.977 13.364 ( 8.005 0.000 -0.612) 8.028 13.525 ( -8.090 0.000 -9.554) 12.519 13.724 ( -0.105 0.000 -6.229) 6.230 13.971 ( 1.229 0.000 2.943) 3.189 14.293 ( -5.932 0.000 -4.558) 7.481 14.582 ( 2.634 0.000 1.097) 2.853 14.732 ( 3.809 0.000 -1.594) 4.129 14.873 ( -0.625 0.000 -2.593) 2.667 14.950 ( 1.897 0.000 -4.359) 4.754 16.021 ( -5.853 0.000 2.491) 6.361 16.134 ( 0.518 0.000 -0.066) 0.522 16.647 ( 6.696 0.000 16.658) 17.953 17.188 ( 1.348 0.000 5.761) 5.916 18.904 ( 3.135 0.000 14.945) 15.271 19.583 ( -7.162 0.000 -6.852) 9.911 19.609 ( -7.277 0.000 -2.455) 7.680 20.089 ( -6.971 0.000 -13.174) 14.905 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -13.615 0.000 -15.272) 20.459 1.407 ( -16.770 0.000 -18.235) 24.774 2.405 ( 8.036 0.000 0.368) 8.045 2.524 ( 0.305 0.000 -3.192) 3.207 2.719 ( -0.862 0.000 1.407) 1.650 2.725 ( 8.006 0.000 8.021) 11.332 2.936 ( 1.734 0.000 2.119) 2.738 2.973 ( -4.494 0.000 4.245) 6.182 3.337 ( 2.239 0.000 -2.685) 3.496 3.495 ( -0.580 0.000 -8.674) 8.693 4.287 ( 6.456 0.000 7.478) 9.880 4.341 ( 14.172 0.000 14.832) 20.514 4.497 ( 14.370 0.000 10.473) 17.781 5.102 ( -4.134 0.000 0.994) 4.252 5.721 ( 16.599 0.000 3.965) 17.066 5.977 ( 5.625 0.000 9.089) 10.689 6.267 ( 2.840 0.000 -2.767) 3.966 6.621 ( -5.318 0.000 2.136) 5.731 6.644 ( 12.333 0.000 -3.400) 12.793 7.124 ( 13.403 0.000 -17.852) 22.324 7.220 ( -21.174 0.000 -7.405) 22.431 7.451 ( -11.574 0.000 -2.792) 11.906 7.639 ( -1.022 0.000 -7.303) 7.374 7.912 ( -19.308 0.000 -8.326) 21.027 8.119 ( -20.159 0.000 -21.439) 29.428 8.354 ( -14.455 0.000 -7.977) 16.510 8.848 ( 8.475 0.000 3.417) 9.138 9.103 ( 8.526 0.000 2.031) 8.764 9.800 ( -7.741 0.000 7.211) 10.579 10.083 ( 2.670 0.000 -3.618) 4.497 10.199 ( 13.843 0.000 12.042) 18.347 10.303 ( -11.981 0.000 1.557) 12.081 10.640 ( -1.801 0.000 -1.696) 2.474 10.650 ( -2.641 0.000 -7.962) 8.389 11.491 ( 6.883 0.000 6.646) 9.568 11.596 ( 13.347 0.000 10.300) 16.859 11.669 ( 1.695 0.000 4.579) 4.883 11.901 ( 3.913 0.000 8.954) 9.771 12.183 ( 5.669 0.000 1.653) 5.905 12.554 ( -7.646 0.000 -1.419) 7.776 12.626 ( 1.816 0.000 -3.109) 3.600 12.984 ( -5.967 0.000 -1.876) 6.255 13.243 ( 1.124 0.000 -14.666) 14.709 13.383 ( -5.555 0.000 -9.513) 11.016 13.507 ( 6.453 0.000 -3.535) 7.358 13.718 ( -0.670 0.000 -5.825) 5.863 14.003 ( 1.948 0.000 1.595) 2.518 14.182 ( -5.203 0.000 -3.753) 6.415 14.663 ( 5.295 0.000 1.029) 5.394 14.792 ( 2.336 0.000 -0.972) 2.530 14.861 ( -0.552 0.000 -1.481) 1.581 14.963 ( -1.043 0.000 -1.800) 2.080 15.925 ( -2.844 0.000 -1.554) 3.241 16.102 ( -3.454 0.000 -3.874) 5.191 16.797 ( 8.561 0.000 17.325) 19.325 17.205 ( -0.665 0.000 10.186) 10.207 18.984 ( 5.055 0.000 8.098) 9.546 19.426 ( -8.648 0.000 -6.427) 10.775 19.497 ( -3.051 0.000 -8.142) 8.695 19.907 ( -11.111 0.000 -15.517) 19.085 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -3.533 0.000 -21.078) 21.372 1.098 ( -12.506 0.000 -21.332) 24.727 2.509 ( 3.129 0.000 -7.209) 7.859 2.543 ( 0.150 0.000 -7.913) 7.914 2.741 ( 4.043 0.000 9.742) 10.548 2.858 ( -6.732 0.000 7.568) 10.129 2.865 ( 5.815 0.000 6.407) 8.653 2.940 ( -1.674 0.000 4.187) 4.509 3.383 ( 2.734 0.000 -5.569) 6.204 3.446 ( -3.459 0.000 -7.955) 8.675 4.427 ( 7.755 0.000 13.544) 15.607 4.514 ( 1.060 0.000 16.061) 16.095 4.758 ( 12.215 0.000 7.932) 14.564 4.969 ( -9.082 0.000 4.873) 10.307 6.128 ( 23.811 0.000 1.219) 23.842 6.240 ( 20.889 0.000 -4.042) 21.277 6.363 ( 6.487 0.000 -6.954) 9.510 6.487 ( -7.826 0.000 0.260) 7.831 6.674 ( -16.905 0.000 -3.120) 17.190 6.714 ( -27.037 0.000 -6.791) 27.876 7.171 ( 9.609 0.000 -11.544) 15.020 7.499 ( -19.381 0.000 -0.313) 19.383 7.641 ( 18.849 0.000 -14.453) 23.752 7.691 ( 5.242 0.000 -12.795) 13.827 7.836 ( -9.944 0.000 -17.538) 20.161 8.027 ( -18.724 0.000 -10.134) 21.290 9.056 ( 11.155 0.000 6.789) 13.059 9.200 ( -1.063 0.000 4.500) 4.624 9.717 ( 1.427 0.000 7.048) 7.191 9.879 ( -13.551 0.000 3.315) 13.951 10.374 ( 9.946 0.000 -7.226) 12.294 10.422 ( 9.161 0.000 6.251) 11.090 10.552 ( -7.417 0.000 -9.156) 11.784 10.565 ( -5.617 0.000 1.573) 5.833 11.609 ( 4.839 0.000 6.211) 7.873 11.672 ( -1.533 0.000 5.804) 6.003 11.840 ( 9.930 0.000 11.051) 14.857 11.942 ( -0.590 0.000 10.420) 10.437 12.278 ( 4.702 0.000 2.384) 5.272 12.399 ( -7.668 0.000 1.047) 7.739 12.695 ( 5.512 0.000 -2.165) 5.922 12.835 ( -8.260 0.000 -1.824) 8.459 13.273 ( 1.745 0.000 -11.204) 11.339 13.311 ( -2.328 0.000 -9.720) 9.995 13.616 ( 4.751 0.000 -5.764) 7.469 13.689 ( -2.560 0.000 -6.287) 6.789 14.044 ( 2.187 0.000 0.058) 2.187 14.096 ( -3.438 0.000 -1.928) 3.942 14.779 ( 6.331 0.000 1.070) 6.421 14.827 ( 1.390 0.000 -0.277) 1.417 14.849 ( -0.824 0.000 -0.428) 0.929 14.898 ( -5.282 0.000 0.519) 5.308 15.930 ( 3.040 0.000 -5.844) 6.587 16.016 ( -4.949 0.000 -6.442) 8.124 16.975 ( 9.251 0.000 17.454) 19.754 17.136 ( -6.426 0.000 15.078) 16.390 19.103 ( 7.018 0.000 1.163) 7.114 19.256 ( -8.449 0.000 -3.947) 9.325 19.517 ( 5.201 0.000 -13.654) 14.611 19.683 ( -10.912 0.000 -16.058) 19.415 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.000 12.616 6.548) 14.214 1.843 ( 0.000 1.583 10.650) 10.767 2.029 ( 0.000 7.297 -2.541) 7.727 2.393 ( 0.000 -4.476 3.343) 5.586 2.591 ( 0.000 -0.537 -5.356) 5.383 2.714 ( 0.000 -1.362 -9.980) 10.073 2.855 ( 0.000 1.939 -2.088) 2.850 3.076 ( 0.000 -0.524 1.551) 1.637 3.105 ( 0.000 5.093 -8.480) 9.892 3.393 ( 0.000 -5.326 -3.149) 6.187 3.532 ( 0.000 -7.571 22.252) 23.505 4.129 ( 0.000 20.136 12.548) 23.726 4.311 ( 0.000 -12.005 -6.940) 13.866 5.202 ( 0.000 11.559 -17.934) 21.337 5.499 ( 0.000 2.460 25.250) 25.369 5.769 ( 0.000 -1.379 -5.044) 5.229 6.118 ( 0.000 -6.825 1.690) 7.031 6.442 ( 0.000 4.257 -3.180) 5.314 6.615 ( 0.000 1.719 19.516) 19.592 6.963 ( 0.000 19.496 2.772) 19.692 7.439 ( 0.000 3.335 -21.448) 21.706 7.621 ( 0.000 -2.975 18.359) 18.598 8.289 ( 0.000 -4.786 -3.324) 5.827 8.592 ( 0.000 -0.890 -6.537) 6.598 8.636 ( 0.000 -6.471 16.613) 17.829 8.729 ( 0.000 -1.861 -7.012) 7.255 8.821 ( 0.000 11.115 7.783) 13.569 9.199 ( 0.000 2.671 -12.056) 12.348 9.850 ( 0.000 -13.444 -1.189) 13.497 9.871 ( 0.000 1.049 -11.113) 11.163 10.224 ( 0.000 0.504 -8.676) 8.691 10.364 ( 0.000 5.437 -6.365) 8.371 10.591 ( 0.000 -1.092 9.228) 9.292 10.879 ( 0.000 -5.101 6.773) 8.479 10.889 ( 0.000 -0.761 8.045) 8.081 11.405 ( 0.000 -0.669 -2.815) 2.893 11.495 ( 0.000 7.385 -2.320) 7.741 11.852 ( 0.000 3.603 -18.544) 18.891 12.042 ( 0.000 6.103 11.330) 12.870 12.465 ( 0.000 -8.013 -4.130) 9.014 12.880 ( 0.000 -1.329 -9.949) 10.037 12.954 ( 0.000 -3.742 4.500) 5.853 13.125 ( 0.000 0.146 -4.235) 4.237 13.389 ( 0.000 5.792 -6.350) 8.595 13.630 ( 0.000 -5.796 -9.985) 11.545 13.772 ( 0.000 1.131 -4.862) 4.992 13.987 ( 0.000 4.760 3.786) 6.082 14.507 ( 0.000 -0.289 -12.355) 12.359 14.600 ( 0.000 3.588 5.202) 6.320 14.656 ( 0.000 3.661 -4.014) 5.433 14.792 ( 0.000 -3.315 -3.043) 4.500 14.929 ( 0.000 1.825 -4.679) 5.023 16.009 ( 0.000 -2.578 6.464) 6.959 16.113 ( 0.000 -4.142 1.295) 4.339 16.533 ( 0.000 4.513 18.863) 19.396 17.156 ( 0.000 -4.453 3.191) 5.478 18.892 ( 0.000 4.382 19.656) 20.138 19.720 ( 0.000 -1.420 -5.950) 6.117 19.771 ( 0.000 -2.183 0.973) 2.390 20.020 ( 0.000 -14.736 -3.412) 15.126 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -1.422 13.007 2.636) 13.347 1.888 ( 0.680 3.214 -2.346) 4.037 2.070 ( 6.727 7.598 5.919) 11.748 2.421 ( 2.667 -5.024 4.763) 7.419 2.562 ( -2.347 -0.612 -3.761) 4.476 2.744 ( 2.019 -1.257 -8.516) 8.842 2.846 ( -0.441 0.058 -0.964) 1.062 3.034 ( -1.526 1.333 -1.317) 2.416 3.195 ( 5.538 2.210 -3.892) 7.121 3.386 ( 0.261 -4.301 -3.894) 5.808 3.608 ( 7.879 -7.266 19.230) 22.015 4.207 ( 6.027 14.044 9.347) 17.914 4.276 ( -1.532 -5.625 -2.767) 6.453 5.248 ( 4.491 12.162 -16.599) 21.062 5.477 ( -1.725 2.520 24.203) 24.395 5.825 ( 5.026 -2.240 -0.878) 5.572 6.121 ( 0.190 -7.038 4.129) 8.162 6.513 ( 4.451 8.942 -3.243) 10.502 6.573 ( -0.114 -2.289 9.229) 9.509 6.950 ( -1.265 18.625 2.201) 18.798 7.423 ( -2.004 -1.080 -14.724) 14.899 7.655 ( 1.224 -2.171 12.659) 12.902 8.230 ( -4.118 -4.227 0.603) 5.932 8.395 ( -14.659 7.700 0.189) 16.559 8.651 ( 3.068 -1.346 -6.200) 7.048 8.693 ( -2.912 0.517 -5.105) 5.900 8.867 ( -1.839 -5.247 -1.262) 5.701 9.263 ( -7.323 7.490 -6.856) 12.519 9.654 ( 0.957 2.382 -3.771) 4.562 9.879 ( -2.507 -8.083 4.301) 9.493 10.137 ( -8.410 -1.694 -5.222) 10.043 10.395 ( 5.584 -5.485 -1.634) 7.996 10.713 ( -2.432 -0.286 2.289) 3.352 10.777 ( 6.179 7.673 1.651) 9.989 11.080 ( 8.796 -6.862 11.150) 15.773 11.383 ( 0.788 2.746 1.560) 3.255 11.602 ( 5.018 0.855 -3.691) 6.288 11.775 ( -3.311 6.290 -12.919) 14.745 12.063 ( 1.892 6.335 9.880) 11.888 12.486 ( 1.887 -7.649 -4.282) 8.967 12.811 ( -5.396 -0.548 -6.717) 8.634 12.968 ( 1.153 -4.571 1.955) 5.103 13.152 ( 0.476 -3.819 -11.525) 12.151 13.397 ( 2.188 7.670 -2.731) 8.430 13.580 ( -5.154 -6.620 -9.555) 12.716 13.766 ( -0.449 1.605 -5.997) 6.225 13.991 ( 0.453 4.370 3.487) 5.609 14.417 ( -6.077 0.300 -6.316) 8.770 14.620 ( -1.684 3.518 -1.638) 4.230 14.677 ( 4.806 2.873 -0.455) 5.618 14.822 ( 1.634 -2.651 -3.625) 4.779 14.953 ( 2.039 2.345 -5.165) 6.027 16.046 ( 2.599 -2.844 5.258) 6.519 16.098 ( -1.289 -2.767 1.697) 3.493 16.562 ( 2.895 2.894 17.399) 17.874 17.133 ( -1.662 -4.757 4.232) 6.581 18.905 ( 1.418 4.345 18.026) 18.596 19.680 ( -3.997 -1.319 -6.267) 7.549 19.718 ( -5.112 -1.986 0.007) 5.484 20.014 ( -1.101 -13.994 -5.732) 15.163 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -8.678 15.458 -4.895) 18.391 1.828 ( -6.730 11.189 -9.048) 15.886 2.261 ( 10.208 4.385 3.377) 11.612 2.499 ( 5.085 -6.070 6.341) 10.144 2.527 ( -0.291 -0.682 1.146) 1.365 2.757 ( -0.669 0.643 -4.954) 5.040 2.859 ( 1.693 -3.721 1.174) 4.253 3.017 ( -0.738 -0.044 0.620) 0.964 3.271 ( 2.262 -0.435 -2.135) 3.141 3.442 ( 4.640 -1.080 -5.808) 7.512 3.836 ( 14.652 -8.779 13.031) 21.484 4.153 ( -5.113 -11.678 -1.808) 12.876 4.469 ( 14.991 20.106 11.226) 27.477 5.352 ( 4.403 16.999 -8.763) 19.625 5.480 ( 4.262 -1.306 14.996) 15.645 5.903 ( 1.520 -2.289 13.456) 13.733 6.153 ( 4.224 -6.075 -0.127) 7.400 6.496 ( -0.480 6.845 -0.796) 6.908 6.774 ( 15.204 -2.016 -10.810) 18.764 6.918 ( -1.907 15.918 0.748) 16.049 7.318 ( -9.438 -9.314 -1.924) 13.399 7.622 ( -3.762 2.074 -3.810) 5.742 8.100 ( -15.776 10.498 -12.183) 22.528 8.197 ( -0.818 2.229 4.622) 5.196 8.457 ( -20.708 -4.859 -12.574) 24.709 8.710 ( -6.790 1.916 -6.043) 9.289 8.760 ( -5.394 1.306 -6.569) 8.600 9.015 ( -0.590 5.117 -0.511) 5.176 9.869 ( 1.232 -7.126 3.848) 8.192 9.924 ( 8.600 0.258 -1.528) 8.738 9.975 ( 2.664 0.438 9.768) 10.134 10.462 ( -2.046 -6.822 -1.097) 7.206 10.669 ( -1.770 2.076 -1.636) 3.181 10.817 ( -2.490 9.750 -0.274) 10.066 11.229 ( 7.437 -7.394 11.129) 15.292 11.453 ( 5.559 0.143 5.566) 7.868 11.595 ( 0.493 1.133 -0.464) 1.320 11.872 ( 8.140 5.858 -2.644) 10.371 12.110 ( 2.846 4.046 6.942) 8.524 12.523 ( 1.556 -6.243 -3.869) 7.507 12.698 ( -6.046 0.100 -4.522) 7.551 12.982 ( -0.210 -5.159 -1.184) 5.297 13.126 ( -1.902 -8.130 -14.827) 17.016 13.423 ( -7.466 -4.831 -9.571) 13.064 13.501 ( 4.914 5.448 -1.411) 7.471 13.763 ( 0.221 2.454 -6.488) 6.940 14.005 ( 0.932 3.401 2.209) 4.161 14.299 ( -5.880 0.368 -4.794) 7.596 14.623 ( 2.015 3.252 0.034) 3.825 14.756 ( 3.094 1.610 -1.578) 3.828 14.845 ( 0.981 -0.780 -2.894) 3.153 14.988 ( 1.110 2.380 -4.346) 5.078 16.016 ( -4.005 -0.455 3.105) 5.088 16.122 ( 1.768 -1.125 0.436) 2.141 16.636 ( 4.468 -0.636 16.123) 16.743 17.117 ( 0.133 -6.299 6.267) 8.886 18.947 ( 2.881 4.080 13.424) 14.323 19.570 ( -6.942 -1.133 -6.709) 9.720 19.593 ( -6.983 -1.421 -3.188) 7.807 19.955 ( -5.260 -11.792 -9.991) 16.326 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -9.894 20.544 -7.903) 24.133 1.626 ( -12.688 17.329 -10.838) 24.057 2.425 ( 6.242 1.794 -3.958) 7.606 2.528 ( 1.403 1.054 -3.555) 3.965 2.637 ( 6.492 -5.640 10.063) 13.237 2.754 ( 1.602 0.718 1.616) 2.386 2.886 ( 0.354 -4.880 3.471) 5.999 2.992 ( -1.789 0.701 2.799) 3.395 3.310 ( 2.099 -1.380 -2.962) 3.883 3.493 ( -0.558 0.211 -7.286) 7.310 4.104 ( 2.330 -14.558 7.054) 16.344 4.116 ( 10.551 -12.905 9.248) 19.063 4.782 ( 16.107 19.874 9.557) 27.308 5.376 ( -1.613 20.422 1.801) 20.565 5.690 ( 16.266 -2.720 2.607) 16.697 5.934 ( 4.334 -2.645 10.117) 11.319 6.258 ( 5.302 -1.271 -0.880) 5.523 6.526 ( 2.317 1.599 -5.011) 5.747 6.877 ( -2.240 11.248 -1.134) 11.525 7.039 ( -3.937 -7.356 -12.442) 14.981 7.134 ( 4.052 -4.576 -4.367) 7.512 7.481 ( -10.284 1.728 -16.713) 19.700 7.864 ( -5.940 16.207 -7.164) 18.689 7.887 ( -27.307 -2.261 -11.457) 29.699 8.159 ( -7.607 2.140 -6.541) 10.258 8.455 ( -14.316 10.200 -6.966) 18.908 8.826 ( 8.366 -2.062 4.899) 9.911 9.130 ( 7.202 2.659 1.100) 7.756 9.754 ( -6.059 -4.056 6.399) 9.701 10.040 ( 5.775 -4.136 -3.158) 7.774 10.257 ( 12.630 3.809 5.801) 14.411 10.282 ( -10.816 -1.009 3.373) 11.375 10.623 ( -3.027 0.776 -4.085) 5.144 10.764 ( -3.074 8.537 -0.660) 9.098 11.389 ( 8.200 -7.758 8.764) 14.291 11.546 ( 3.076 -7.084 6.426) 10.047 11.699 ( 9.292 5.076 6.789) 12.578 11.999 ( 4.261 7.581 4.646) 9.860 12.170 ( 3.263 -1.183 3.108) 4.659 12.515 ( -4.697 -3.542 -1.838) 6.163 12.606 ( -0.768 -1.078 -4.160) 4.366 12.934 ( -5.211 -4.505 -2.402) 7.295 13.108 ( 0.265 -10.715 -11.943) 16.048 13.270 ( -6.297 -8.469 -9.395) 14.130 13.619 ( 5.823 7.579 -3.669) 10.237 13.771 ( 0.437 3.922 -6.351) 7.477 14.028 ( 1.371 2.122 0.817) 2.655 14.190 ( -5.183 0.515 -3.872) 6.490 14.688 ( 4.326 1.949 0.295) 4.754 14.802 ( 1.840 0.194 -1.315) 2.270 14.861 ( 0.448 1.030 -1.562) 1.924 14.984 ( -1.884 1.482 -2.052) 3.155 15.956 ( -1.207 2.896 -0.118) 3.140 16.120 ( -1.960 1.764 -2.624) 3.720 16.743 ( 6.580 -4.738 16.381) 18.278 17.113 ( -1.491 -8.264 9.630) 12.777 19.019 ( 4.489 3.309 6.946) 8.908 19.421 ( -8.089 -0.369 -6.658) 10.483 19.481 ( -3.357 -1.452 -7.987) 8.785 19.810 ( -9.149 -8.657 -13.225) 18.263 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -2.237 24.734 -9.938) 26.749 1.398 ( -8.884 22.984 -10.900) 26.944 2.509 ( 2.874 0.563 -7.487) 8.040 2.546 ( -0.563 0.566 -8.192) 8.231 2.732 ( 4.529 -1.674 8.808) 10.045 2.805 ( -0.709 -3.291 5.949) 6.835 2.885 ( 2.320 -0.839 6.365) 6.827 2.950 ( -2.712 0.238 4.749) 5.474 3.360 ( 3.173 -1.158 -4.577) 5.689 3.435 ( -4.197 -0.277 -6.600) 7.826 4.182 ( 5.033 -16.830 11.093) 20.776 4.238 ( 0.813 -16.871 12.493) 21.008 5.070 ( 12.865 20.393 7.784) 25.337 5.280 ( -8.232 21.691 5.217) 23.780 6.073 ( 20.279 -5.354 0.449) 20.978 6.122 ( 12.965 -7.484 -1.511) 15.047 6.340 ( 2.071 0.229 -2.284) 3.092 6.489 ( -8.514 2.279 -2.697) 9.217 6.747 ( -9.427 5.637 -12.061) 16.313 6.823 ( -12.749 5.139 -11.307) 17.799 7.132 ( 3.762 -2.220 -13.218) 13.921 7.390 ( -20.120 -5.342 -6.277) 21.742 7.607 ( 17.183 -3.015 -11.301) 20.786 7.866 ( -3.032 4.809 -10.854) 12.253 8.006 ( -2.616 13.619 -5.229) 14.821 8.168 ( -13.791 17.372 -7.223) 23.327 9.033 ( 11.176 -2.200 7.867) 13.844 9.191 ( -2.865 -0.941 4.782) 5.653 9.717 ( 3.859 0.369 5.642) 6.846 9.900 ( -13.200 2.211 2.234) 13.569 10.313 ( 9.252 -5.041 -4.539) 11.472 10.441 ( 1.021 -2.343 -3.380) 4.237 10.569 ( 1.381 6.224 1.453) 6.539 10.677 ( -5.827 8.677 1.136) 10.513 11.519 ( 4.736 -7.886 7.268) 11.724 11.571 ( -0.613 -8.233 6.905) 10.762 11.900 ( 9.633 4.590 9.497) 14.285 12.023 ( -2.303 6.578 8.470) 10.969 12.247 ( 4.936 -2.259 1.175) 5.554 12.374 ( -7.782 -1.799 -0.183) 7.990 12.660 ( 5.166 -3.132 -3.111) 6.796 12.794 ( -7.988 -3.974 -2.630) 9.302 13.133 ( 2.082 -11.106 -9.326) 14.651 13.184 ( -3.108 -10.007 -8.958) 13.786 13.716 ( 3.952 7.333 -6.120) 10.337 13.767 ( -1.200 5.926 -6.762) 9.071 14.057 ( 1.681 0.920 -0.314) 1.942 14.104 ( -3.388 0.470 -2.062) 3.994 14.784 ( 5.150 0.553 0.333) 5.191 14.835 ( 1.262 0.666 -0.611) 1.552 14.858 ( -0.465 0.748 -0.419) 0.975 14.913 ( -4.769 1.133 -0.046) 4.902 15.980 ( 3.244 4.712 -3.818) 6.877 16.057 ( -4.052 4.099 -4.582) 7.363 16.890 ( 8.101 -7.725 16.162) 19.660 17.037 ( -6.236 -8.918 13.801) 17.575 19.125 ( 6.276 2.068 0.397) 6.619 19.263 ( -7.759 0.737 -4.373) 8.937 19.487 ( 4.028 -2.716 -12.702) 13.600 19.623 ( -9.108 -5.370 -14.436) 17.894 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.000 3.322 8.229) 8.874 1.970 ( 0.000 4.743 11.236) 12.196 2.189 ( 0.000 6.740 2.997) 7.376 2.309 ( 0.000 -2.359 1.770) 2.949 2.643 ( 0.000 5.950 2.598) 6.493 2.711 ( 0.000 1.822 -9.172) 9.351 2.864 ( 0.000 -0.722 -1.069) 1.290 3.079 ( 0.000 0.727 -12.814) 12.834 3.154 ( 0.000 -7.564 6.772) 10.153 3.224 ( 0.000 -6.295 -10.103) 11.904 3.466 ( 0.000 5.183 -1.215) 5.324 4.016 ( 0.000 -15.095 -8.261) 17.208 4.622 ( 0.000 23.471 6.880) 24.459 5.262 ( 0.000 -5.654 -3.898) 6.868 5.737 ( 0.000 16.822 22.699) 28.253 5.779 ( 0.000 3.436 -11.534) 12.035 5.974 ( 0.000 -6.437 -0.303) 6.444 6.387 ( 0.000 -8.569 12.916) 15.500 6.821 ( 0.000 16.079 16.125) 22.772 7.377 ( 0.000 6.270 11.009) 12.669 7.528 ( 0.000 5.489 -13.341) 14.426 7.612 ( 0.000 12.990 10.978) 17.007 8.037 ( 0.000 -16.712 3.610) 17.097 8.469 ( 0.000 -11.721 -5.862) 13.105 8.621 ( 0.000 3.758 1.339) 3.990 8.731 ( 0.000 1.348 -6.801) 6.934 9.044 ( 0.000 7.733 4.321) 8.859 9.211 ( 0.000 -1.613 -11.484) 11.597 9.642 ( 0.000 -3.995 -3.353) 5.215 9.844 ( 0.000 -4.489 -6.744) 8.101 10.238 ( 0.000 1.473 -3.201) 3.524 10.396 ( 0.000 -2.252 -4.724) 5.233 10.600 ( 0.000 2.180 7.855) 8.152 10.759 ( 0.000 -5.277 6.946) 8.723 10.921 ( 0.000 4.414 2.716) 5.183 11.289 ( 0.000 -9.277 -2.688) 9.658 11.699 ( 0.000 11.363 -2.564) 11.649 12.011 ( 0.000 9.385 -15.948) 18.504 12.177 ( 0.000 5.012 5.800) 7.665 12.245 ( 0.000 -11.793 -2.771) 12.114 12.856 ( 0.000 -0.686 -4.654) 4.704 12.890 ( 0.000 -2.134 2.330) 3.159 13.124 ( 0.000 1.139 -11.408) 11.465 13.447 ( 0.000 -10.717 -9.488) 14.314 13.541 ( 0.000 7.703 0.024) 7.703 13.763 ( 0.000 -1.872 -0.937) 2.093 14.147 ( 0.000 9.062 -0.757) 9.094 14.466 ( 0.000 -4.145 -8.764) 9.695 14.680 ( 0.000 3.055 -0.368) 3.077 14.740 ( 0.000 -1.355 -3.128) 3.409 14.761 ( 0.000 6.096 -2.489) 6.584 14.944 ( 0.000 -0.781 -4.422) 4.491 15.949 ( 0.000 -2.449 4.486) 5.111 16.007 ( 0.000 -5.053 1.817) 5.370 16.667 ( 0.000 7.821 16.217) 18.005 17.025 ( 0.000 -7.592 7.588) 10.734 19.034 ( 0.000 9.186 15.419) 17.948 19.636 ( 0.000 -16.017 4.147) 16.545 19.701 ( 0.000 -3.665 -5.131) 6.305 19.719 ( 0.000 -2.375 -1.578) 2.851 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 1.291 3.730 7.647) 8.606 2.018 ( 3.921 3.959 9.033) 10.614 2.241 ( 5.270 7.700 0.430) 9.341 2.333 ( 1.987 -1.822 2.092) 3.412 2.616 ( -3.047 5.782 -1.485) 6.702 2.720 ( 1.385 0.668 -0.476) 1.609 2.834 ( -2.757 -1.315 -2.398) 3.884 3.028 ( -3.278 -2.902 -6.919) 8.188 3.233 ( 1.450 -2.367 -10.275) 10.644 3.254 ( 7.643 -5.761 1.844) 9.747 3.525 ( 5.675 2.689 -1.152) 6.385 3.982 ( -3.369 -13.833 -7.292) 15.996 4.708 ( 8.581 22.764 7.099) 25.342 5.301 ( 3.775 -5.236 -0.955) 6.525 5.720 ( -1.332 13.592 21.897) 25.806 5.835 ( 5.385 6.335 -10.614) 13.483 5.980 ( 0.848 -5.894 3.043) 6.687 6.430 ( 4.603 -9.331 4.061) 11.169 6.808 ( -0.811 16.006 14.460) 21.585 7.334 ( -7.398 -5.865 9.319) 13.265 7.385 ( -6.249 17.879 -5.768) 19.798 7.729 ( 5.088 10.495 0.732) 11.686 8.020 ( -0.227 -14.703 2.079) 14.851 8.395 ( -7.478 -8.459 -7.487) 13.548 8.631 ( 0.383 1.207 -0.177) 1.278 8.719 ( -2.953 0.838 -2.617) 4.033 8.936 ( -2.498 9.239 -6.451) 11.542 9.317 ( -1.146 -4.040 -7.741) 8.807 9.713 ( 3.085 3.438 -6.072) 7.629 9.781 ( -1.163 1.551 3.083) 3.642 10.060 ( -12.946 -5.734 -2.417) 14.364 10.238 ( -1.027 -8.928 -0.197) 8.989 10.737 ( 2.863 2.796 4.506) 6.027 10.927 ( 9.410 -5.526 10.131) 14.891 10.959 ( 6.009 7.605 0.889) 9.733 11.312 ( 2.192 -7.633 0.307) 7.947 11.721 ( 1.367 9.502 -2.936) 10.039 11.974 ( -1.692 10.559 -12.164) 16.197 12.168 ( -0.731 -0.489 2.966) 3.094 12.306 ( 4.945 -6.224 -1.620) 8.112 12.802 ( -4.430 -0.002 -4.348) 6.207 12.883 ( -0.660 -3.278 0.796) 3.437 13.084 ( -4.540 -1.089 -12.611) 13.448 13.385 ( -5.736 -10.874 -8.251) 14.806 13.567 ( 2.765 7.659 -0.511) 8.159 13.769 ( 0.716 -1.308 -2.473) 2.888 14.134 ( -1.171 8.031 -0.677) 8.144 14.398 ( -5.341 -2.704 -6.343) 8.722 14.686 ( -0.867 2.257 -3.010) 3.861 14.725 ( 1.635 0.201 -0.723) 1.799 14.829 ( 4.111 4.420 -3.336) 6.897 14.981 ( 2.872 -0.109 -4.979) 5.749 15.979 ( 2.449 -2.758 4.498) 5.817 16.020 ( 1.468 -4.062 2.119) 4.810 16.662 ( -0.414 6.431 15.349) 16.647 16.997 ( -2.517 -7.731 7.727) 11.216 19.047 ( 1.271 9.155 13.814) 16.621 19.633 ( -1.362 -11.442 1.069) 11.572 19.655 ( -4.480 -2.822 -4.615) 7.024 19.690 ( -2.142 -7.003 -2.626) 7.780 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -1.779 8.115 5.389) 9.903 2.091 ( 1.866 9.135 3.285) 9.885 2.356 ( 3.944 0.060 1.168) 4.113 2.384 ( 5.284 2.984 1.433) 6.236 2.561 ( -0.963 2.740 -0.688) 2.984 2.754 ( 1.737 -0.395 3.418) 3.854 2.770 ( -3.431 -3.537 -2.616) 5.579 2.976 ( -1.889 -4.567 -3.973) 6.341 3.275 ( 2.636 0.909 -6.650) 7.211 3.416 ( 7.654 -2.170 -1.656) 8.127 3.673 ( 8.924 -4.443 0.079) 9.969 3.893 ( -5.225 -11.525 -4.374) 13.389 4.940 ( 14.263 21.164 6.880) 26.432 5.403 ( 6.860 -4.104 6.048) 10.024 5.719 ( 1.733 11.241 11.294) 16.029 5.913 ( 1.400 3.699 9.804) 10.571 6.069 ( 9.394 1.070 -7.561) 12.106 6.555 ( 6.498 -5.503 -6.606) 10.777 6.810 ( 2.065 7.411 5.995) 9.754 7.124 ( -11.436 -6.706 2.408) 13.474 7.280 ( -6.038 15.790 -2.993) 17.168 7.735 ( -5.414 6.873 -10.843) 13.933 8.034 ( -0.663 -9.583 -6.450) 11.571 8.212 ( -10.854 -5.626 -9.979) 15.781 8.523 ( -12.119 7.736 3.948) 14.909 8.676 ( 0.856 -1.932 3.628) 4.198 8.912 ( -5.944 11.335 -10.217) 16.377 9.155 ( -3.990 6.145 -2.150) 7.636 9.698 ( 3.074 -7.590 1.977) 8.424 9.805 ( -8.423 -8.879 -2.489) 12.489 10.053 ( 16.262 4.504 3.171) 17.169 10.318 ( 3.476 -6.870 -1.800) 7.907 10.742 ( -1.328 4.455 4.203) 6.267 10.958 ( -1.270 -2.080 5.293) 5.827 11.129 ( 6.406 3.482 8.862) 11.476 11.364 ( 2.341 -5.283 4.839) 7.536 11.737 ( 1.800 9.319 -0.767) 9.523 12.013 ( 5.131 6.848 -7.319) 11.260 12.154 ( -0.367 -1.987 3.861) 4.358 12.401 ( 3.957 -4.342 -2.147) 6.254 12.707 ( -5.086 1.232 -4.538) 6.926 12.867 ( -1.250 -5.462 -2.605) 6.179 12.965 ( -6.490 -4.667 -11.891) 14.328 13.233 ( -9.275 -10.918 -8.134) 16.474 13.654 ( 5.778 6.861 -1.243) 9.056 13.797 ( 2.102 0.358 -4.458) 4.942 14.108 ( -1.352 5.732 -0.787) 5.942 14.291 ( -5.369 -1.597 -4.808) 7.382 14.688 ( 1.202 2.458 -1.504) 3.122 14.755 ( 1.387 -1.220 -2.028) 2.743 14.898 ( 2.459 4.809 -3.088) 6.222 15.022 ( 0.865 0.427 -4.504) 4.606 16.009 ( 0.953 0.103 4.439) 4.541 16.085 ( 4.666 -2.377 2.325) 5.729 16.649 ( -0.949 2.635 13.696) 13.979 16.945 ( -2.577 -9.228 7.674) 12.275 19.080 ( 2.024 8.556 9.454) 12.911 19.541 ( -6.494 -2.504 -5.135) 8.650 19.553 ( -6.007 -2.019 -4.963) 8.049 19.655 ( -2.299 -13.924 -4.280) 14.747 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -2.459 15.745 4.249) 16.493 2.033 ( -6.575 19.487 -1.056) 20.593 2.447 ( 5.795 -9.386 9.883) 14.811 2.503 ( 5.421 4.978 -5.997) 9.493 2.587 ( 2.560 1.970 -2.121) 3.864 2.713 ( -2.258 -6.864 0.958) 7.289 2.790 ( 2.167 -1.416 3.017) 3.976 2.948 ( -1.336 -5.166 -0.932) 5.417 3.326 ( 2.634 3.459 -3.192) 5.393 3.513 ( 1.340 1.349 -3.587) 4.059 3.806 ( -1.052 -13.246 0.452) 13.296 3.837 ( 5.190 -11.027 3.787) 12.762 5.224 ( 14.079 18.751 6.213) 24.257 5.598 ( 13.107 -3.873 7.519) 15.599 5.785 ( 4.368 11.806 0.522) 12.599 5.938 ( 1.793 4.342 11.671) 12.581 6.285 ( 11.207 6.132 -4.465) 13.533 6.599 ( -1.132 3.526 -5.766) 6.853 6.887 ( -4.299 -6.563 -9.345) 12.202 6.963 ( 2.027 -9.684 -3.622) 10.536 7.170 ( -3.775 14.582 -7.716) 16.924 7.523 ( -12.845 1.652 -22.803) 26.224 7.826 ( -25.747 -2.954 -13.059) 29.020 7.971 ( -7.589 -6.887 -9.730) 14.132 8.378 ( -0.984 17.087 10.096) 19.871 8.739 ( -4.133 12.898 3.541) 13.999 8.769 ( 3.928 -0.961 3.602) 5.415 9.186 ( 1.579 0.719 0.280) 1.757 9.662 ( -0.013 -2.958 2.985) 4.203 9.898 ( 10.414 -9.085 -3.023) 14.147 10.265 ( -8.374 0.557 -0.517) 8.408 10.316 ( 8.339 0.316 -1.609) 8.498 10.708 ( -0.689 6.871 6.286) 9.338 10.942 ( -0.375 4.641 2.570) 5.318 11.227 ( 4.291 -4.503 10.849) 12.505 11.383 ( -0.136 -6.875 6.947) 9.775 11.836 ( 7.905 7.483 3.570) 11.455 12.116 ( 4.045 -1.620 -1.566) 4.630 12.172 ( 2.718 4.894 2.726) 6.227 12.426 ( -2.192 -4.132 -1.748) 4.993 12.619 ( -3.113 2.852 -4.913) 6.478 12.808 ( -5.329 -6.745 -5.765) 10.350 12.871 ( -2.358 -9.244 -8.554) 12.813 13.058 ( -7.572 -10.988 -7.922) 15.518 13.774 ( 6.049 6.338 -2.954) 9.246 13.848 ( 2.918 2.694 -5.189) 6.534 14.084 ( -1.116 2.974 -1.276) 3.423 14.190 ( -4.967 -0.871 -4.098) 6.498 14.730 ( 3.044 1.814 -0.868) 3.648 14.789 ( 2.251 -1.042 -1.730) 3.024 14.917 ( -0.584 3.428 -2.224) 4.127 15.005 ( -2.641 0.146 -2.690) 3.772 16.046 ( 3.209 5.393 3.321) 7.100 16.172 ( 3.575 2.418 1.282) 4.502 16.633 ( -0.137 -3.980 12.960) 13.558 16.887 ( -3.815 -12.036 8.345) 15.135 19.126 ( 2.734 6.833 3.635) 8.208 19.415 ( -6.637 -0.043 -7.364) 9.914 19.440 ( -4.139 -2.482 -7.059) 8.551 19.582 ( -4.947 -11.424 -8.226) 14.921 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.741 22.048 2.915) 22.252 1.906 ( -5.300 23.338 1.080) 23.957 2.541 ( 3.314 -3.453 -0.196) 4.790 2.570 ( 0.770 1.418 -6.480) 6.678 2.638 ( 2.563 -1.719 2.303) 3.851 2.678 ( -1.579 -8.587 5.799) 10.481 2.846 ( 3.492 -2.861 2.595) 5.208 2.911 ( -2.676 -4.575 1.472) 5.501 3.386 ( 3.672 4.319 -2.139) 6.059 3.469 ( -4.399 4.045 -3.370) 6.861 3.833 ( 3.314 -15.204 5.704) 16.574 3.885 ( -0.861 -15.440 6.401) 16.737 5.493 ( 13.361 17.212 5.593) 22.495 5.714 ( -7.131 16.171 6.215) 18.734 5.928 ( 12.741 -6.254 -1.130) 14.238 6.030 ( 4.786 -1.944 6.070) 7.970 6.454 ( 5.024 10.240 -5.366) 12.605 6.549 ( -5.100 3.983 -9.027) 11.107 6.789 ( 0.666 -2.330 -13.607) 13.821 6.910 ( -8.645 -0.303 -19.386) 21.229 7.141 ( 1.084 5.905 -11.638) 13.095 7.344 ( -19.433 1.577 -8.657) 21.333 7.498 ( 11.063 -7.195 -11.500) 17.504 7.764 ( -13.349 -10.145 -9.576) 19.309 8.438 ( 6.060 20.961 5.086) 22.405 8.583 ( -8.205 19.283 0.907) 20.976 8.959 ( 10.661 -5.056 10.069) 15.511 9.137 ( -6.516 -5.220 6.079) 10.328 9.765 ( 9.544 4.994 1.207) 10.839 9.982 ( -9.751 5.242 -1.132) 11.128 10.168 ( 7.623 -8.118 -2.873) 11.501 10.331 ( -5.911 -6.988 -5.594) 10.727 10.777 ( 6.710 11.668 7.295) 15.309 10.898 ( -4.600 10.965 4.325) 12.653 11.307 ( 3.727 -11.171 9.327) 15.023 11.364 ( -1.916 -10.404 8.192) 13.381 12.013 ( 9.219 5.938 5.027) 12.063 12.143 ( -2.399 2.574 5.049) 6.154 12.245 ( 4.069 3.470 -1.460) 5.543 12.335 ( -5.415 -2.672 -1.124) 6.142 12.601 ( 1.398 -0.453 -4.972) 5.185 12.681 ( -6.370 -5.380 -4.993) 9.718 12.873 ( 2.296 -12.126 -7.830) 14.616 12.944 ( -4.594 -11.834 -7.628) 14.810 13.875 ( 3.697 6.921 -5.000) 9.304 13.896 ( 1.418 5.605 -5.663) 8.093 14.067 ( -0.144 -0.151 -1.615) 1.628 14.101 ( -3.647 -1.010 -2.847) 4.736 14.803 ( 4.185 1.185 -0.651) 4.398 14.845 ( 3.317 -0.074 -1.137) 3.508 14.880 ( -2.763 1.467 -1.184) 3.344 14.930 ( -4.520 0.103 -1.143) 4.663 16.129 ( 4.670 9.202 1.216) 10.391 16.197 ( -1.456 9.021 0.241) 9.141 16.672 ( 4.441 -11.927 12.526) 17.857 16.786 ( -6.230 -13.835 10.479) 18.440 19.192 ( 4.123 4.347 -1.950) 6.301 19.290 ( -5.853 1.900 -5.716) 8.399 19.412 ( 1.300 -4.087 -10.249) 11.111 19.479 ( -4.993 -7.481 -10.582) 13.888 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 -2.846 11.354) 11.705 1.970 ( 0.000 2.846 11.354) 11.705 2.280 ( 0.000 -1.849 3.107) 3.616 2.280 ( 0.000 1.849 3.107) 3.616 2.765 ( 0.000 -0.226 -5.404) 5.409 2.765 ( 0.000 0.226 -5.404) 5.409 2.906 ( 0.000 -9.481 10.443) 14.105 2.906 ( 0.000 9.481 10.443) 14.105 3.122 ( 0.000 -3.906 -18.982) 19.380 3.122 ( 0.000 3.906 -18.982) 19.380 3.699 ( 0.000 -14.151 -8.154) 16.332 3.699 ( 0.000 14.151 -8.154) 16.332 5.040 ( 0.000 -15.181 2.481) 15.382 5.040 ( 0.000 15.181 2.481) 15.382 5.853 ( 0.000 -4.878 0.418) 4.895 5.853 ( 0.000 4.878 0.418) 4.895 6.119 ( 0.000 -16.123 9.956) 18.949 6.119 ( 0.000 16.123 9.956) 18.949 7.190 ( 0.000 -16.124 21.901) 27.196 7.190 ( 0.000 16.124 21.901) 27.196 7.707 ( 0.000 -12.225 -3.752) 12.788 7.707 ( 0.000 12.225 -3.752) 12.788 8.097 ( 0.000 -22.802 -1.221) 22.834 8.097 ( 0.000 22.802 -1.221) 22.834 8.714 ( 0.000 -3.506 -3.450) 4.919 8.714 ( 0.000 3.506 -3.450) 4.919 9.148 ( 0.000 -3.665 -6.856) 7.774 9.148 ( 0.000 3.665 -6.856) 7.774 9.701 ( 0.000 -7.286 -3.035) 7.893 9.701 ( 0.000 7.286 -3.035) 7.893 10.307 ( 0.000 -4.723 -2.316) 5.260 10.307 ( 0.000 4.723 -2.316) 5.260 10.667 ( 0.000 -3.702 6.496) 7.477 10.667 ( 0.000 3.702 6.496) 7.477 11.076 ( 0.000 -9.630 -1.270) 9.714 11.076 ( 0.000 9.630 -1.270) 9.714 11.959 ( 0.000 -12.643 -3.167) 13.034 11.959 ( 0.000 12.643 -3.167) 13.034 12.192 ( 0.000 -3.990 -5.299) 6.633 12.192 ( 0.000 3.990 -5.299) 6.633 12.858 ( 0.000 -0.922 -1.126) 1.455 12.858 ( 0.000 0.922 -1.126) 1.455 13.226 ( 0.000 -8.684 -9.677) 13.002 13.226 ( 0.000 8.684 -9.677) 13.002 13.686 ( 0.000 -5.484 0.502) 5.507 13.686 ( 0.000 5.484 0.502) 5.507 14.333 ( 0.000 -7.972 -4.383) 9.097 14.333 ( 0.000 7.972 -4.383) 9.097 14.721 ( 0.000 -1.019 -3.342) 3.494 14.721 ( 0.000 1.019 -3.342) 3.494 14.885 ( 0.000 -4.780 -2.880) 5.581 14.885 ( 0.000 4.780 -2.880) 5.581 15.933 ( 0.000 -1.389 2.695) 3.032 15.933 ( 0.000 1.389 2.695) 3.032 16.848 ( 0.000 -8.847 12.308) 15.158 16.848 ( 0.000 8.847 12.308) 15.158 19.286 ( 0.000 -14.580 10.605) 18.029 19.286 ( 0.000 14.580 10.605) 18.029 19.685 ( 0.000 -0.580 -4.140) 4.181 19.685 ( 0.000 0.580 -4.140) 4.181 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 2.538 -3.566 11.743) 12.533 1.996 ( 2.538 3.566 11.743) 12.533 2.330 ( 4.564 -0.596 2.094) 5.057 2.330 ( 4.564 0.596 2.094) 5.057 2.739 ( -3.012 -4.494 -7.047) 8.884 2.739 ( -3.012 4.494 -7.047) 8.884 2.877 ( -2.322 -9.168 6.170) 11.292 2.877 ( -2.322 9.168 6.170) 11.292 3.185 ( 6.135 -1.743 -12.352) 13.901 3.185 ( 6.135 1.743 -12.352) 13.901 3.702 ( 0.180 -11.907 -7.434) 14.038 3.702 ( 0.180 11.907 -7.434) 14.038 5.102 ( 6.225 -13.812 3.671) 15.589 5.102 ( 6.225 13.812 3.671) 15.589 5.856 ( 0.099 -4.912 8.486) 9.805 5.856 ( 0.099 4.912 8.486) 9.805 6.158 ( 4.655 -15.984 -0.599) 16.659 6.158 ( 4.655 15.984 -0.599) 16.659 7.137 ( -5.662 -12.995 17.950) 22.873 7.137 ( -5.662 12.995 17.950) 22.873 7.691 ( -1.387 -14.028 -4.369) 14.758 7.691 ( -1.387 14.028 -4.369) 14.758 8.090 ( -0.992 -18.677 -2.643) 18.889 8.090 ( -0.992 18.677 -2.643) 18.889 8.694 ( -2.216 -3.161 -1.045) 4.000 8.694 ( -2.216 3.161 -1.045) 4.000 9.146 ( 0.883 -9.932 -9.160) 13.539 9.146 ( 0.883 9.932 -9.160) 13.539 9.807 ( 3.154 -4.105 -0.541) 5.205 9.807 ( 3.154 4.105 -0.541) 5.205 10.039 ( -11.378 -7.573 -1.923) 13.802 10.039 ( -11.378 7.573 -1.923) 13.802 10.817 ( 5.600 -4.386 7.638) 10.438 10.817 ( 5.600 4.386 7.638) 10.438 11.135 ( 6.309 -8.421 0.617) 10.541 11.135 ( 6.309 8.421 0.617) 10.541 11.952 ( -0.574 -11.251 -2.883) 11.629 11.952 ( -0.574 11.251 -2.883) 11.629 12.213 ( 1.887 -6.755 -5.561) 8.951 12.213 ( 1.887 6.755 -5.561) 8.951 12.824 ( -2.990 -2.133 -1.914) 4.141 12.824 ( -2.990 2.133 -1.914) 4.141 13.164 ( -5.984 -8.485 -8.799) 13.610 13.164 ( -5.984 8.485 -8.799) 13.610 13.704 ( 1.982 -4.918 -0.660) 5.343 13.704 ( 1.982 4.918 -0.660) 5.343 14.296 ( -3.308 -6.676 -3.980) 8.447 14.296 ( -3.308 6.676 -3.980) 8.447 14.716 ( 0.011 -0.773 -2.676) 2.786 14.716 ( 0.011 0.773 -2.676) 2.786 14.936 ( 3.859 -4.142 -3.800) 6.818 14.936 ( 3.859 4.142 -3.800) 6.818 15.958 ( 2.517 -1.133 3.261) 4.273 15.958 ( 2.517 1.133 3.261) 4.273 16.823 ( -2.402 -8.305 11.779) 14.611 16.823 ( -2.402 8.305 11.779) 14.611 19.298 ( 0.977 -14.458 8.671) 16.887 19.298 ( 0.977 14.458 8.671) 16.887 19.645 ( -3.901 -0.620 -4.730) 6.162 19.645 ( -3.901 0.620 -4.730) 6.162 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 4.176 -6.475 11.545) 13.880 2.063 ( 4.176 6.475 11.545) 13.880 2.429 ( 4.560 -3.722 1.569) 6.092 2.429 ( 4.560 3.722 1.569) 6.092 2.655 ( -4.466 -7.339 -5.042) 9.962 2.655 ( -4.466 7.339 -5.042) 9.962 2.837 ( -1.630 -7.260 -0.498) 7.457 2.837 ( -1.630 7.260 -0.498) 7.457 3.330 ( 7.585 -4.438 -5.341) 10.284 3.330 ( 7.585 4.438 -5.341) 10.284 3.700 ( -0.474 -6.107 -5.515) 8.242 3.700 ( -0.474 6.107 -5.515) 8.242 5.269 ( 10.290 -9.714 5.999) 15.370 5.269 ( 10.290 9.714 5.999) 15.370 5.867 ( 1.936 -5.693 12.732) 14.080 5.867 ( 1.936 5.693 12.732) 14.080 6.316 ( 11.040 -15.221 -10.658) 21.614 6.316 ( 11.040 15.221 -10.658) 21.614 6.977 ( -9.894 -7.161 9.373) 15.396 6.977 ( -9.894 7.161 9.373) 15.396 7.635 ( -5.296 -16.089 -11.077) 20.239 7.635 ( -5.296 16.089 -11.077) 20.239 8.034 ( -6.016 -9.390 -6.381) 12.848 8.034 ( -6.016 9.390 -6.381) 12.848 8.635 ( -2.735 -2.901 5.696) 6.953 8.635 ( -2.735 2.901 5.696) 6.953 9.158 ( -1.928 -8.126 -7.364) 11.134 9.158 ( -1.928 8.126 -7.364) 11.134 9.637 ( -5.606 -3.926 1.316) 6.969 9.637 ( -5.606 3.926 1.316) 6.969 10.170 ( 11.611 -6.675 -2.066) 13.551 10.170 ( 11.611 6.675 -2.066) 13.551 10.844 ( -0.722 -5.342 7.883) 9.550 10.844 ( -0.722 5.342 7.883) 9.550 11.258 ( 4.182 -5.412 6.310) 9.305 11.258 ( 4.182 5.412 6.310) 9.305 11.948 ( 0.686 -9.977 -1.452) 10.105 11.948 ( 0.686 9.977 -1.452) 10.105 12.257 ( 2.502 -9.731 -5.232) 11.328 12.257 ( 2.502 9.731 -5.232) 11.328 12.764 ( -2.954 -3.940 -3.722) 6.173 12.764 ( -2.954 3.940 -3.722) 6.173 13.012 ( -8.972 -8.329 -7.775) 14.502 13.012 ( -8.972 8.329 -7.775) 14.502 13.766 ( 4.246 -3.399 -2.276) 5.896 13.766 ( 4.246 3.399 -2.276) 5.896 14.223 ( -3.840 -4.671 -3.498) 6.985 14.223 ( -3.840 4.671 -3.498) 6.985 14.727 ( 1.150 -1.419 -2.124) 2.801 14.727 ( 1.150 1.419 -2.124) 2.801 14.993 ( 1.331 -3.292 -4.008) 5.355 14.993 ( 1.331 3.292 -4.008) 5.355 16.032 ( 5.127 -2.122 4.474) 7.128 16.032 ( 5.127 2.122 4.474) 7.128 16.759 ( -4.007 -7.529 10.158) 13.263 16.759 ( -4.007 7.529 10.158) 13.263 19.312 ( 0.203 -13.088 3.989) 13.684 19.312 ( 0.203 13.088 3.989) 13.684 19.546 ( -5.799 -0.815 -6.202) 8.530 19.546 ( -5.799 0.815 -6.202) 8.530 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 4.946 -11.489 9.996) 16.012 2.154 ( 4.946 11.489 9.996) 16.012 2.446 ( -3.329 -12.843 3.384) 13.692 2.446 ( -3.329 12.843 3.384) 13.692 2.635 ( 3.037 -4.644 -3.163) 6.387 2.635 ( 3.037 4.644 -3.163) 6.387 2.810 ( -1.272 -5.528 -2.828) 6.339 2.810 ( -1.272 5.528 -2.828) 6.339 3.456 ( 5.184 -7.689 -1.073) 9.335 3.456 ( 5.184 7.689 -1.073) 9.335 3.679 ( -1.906 -3.357 -2.673) 4.695 3.679 ( -1.906 3.357 -2.673) 4.695 5.490 ( 12.290 -7.106 5.455) 15.208 5.490 ( 12.290 7.106 5.455) 15.208 5.947 ( 5.220 -5.136 8.444) 11.177 5.947 ( 5.220 5.136 8.444) 11.177 6.548 ( 10.642 -13.192 -9.457) 19.409 6.548 ( 10.642 13.192 -9.457) 19.409 6.793 ( -6.957 -2.302 -1.735) 7.531 6.793 ( -6.957 2.302 -1.735) 7.531 7.471 ( -10.769 -9.622 -21.372) 25.793 7.471 ( -10.769 9.622 -21.372) 25.793 7.811 ( -15.743 -3.746 -6.890) 17.588 7.811 ( -15.743 3.746 -6.890) 17.588 8.652 ( 4.891 -8.080 11.770) 15.091 8.652 ( 4.891 8.080 11.770) 15.091 9.065 ( -5.942 -12.476 0.875) 13.846 9.065 ( -5.942 12.476 0.875) 13.846 9.705 ( 9.581 -7.149 -1.972) 12.116 9.705 ( 9.581 7.149 -1.972) 12.116 10.294 ( -0.725 -1.733 -3.068) 3.598 10.294 ( -0.725 1.733 -3.068) 3.598 10.869 ( 4.790 -7.642 8.290) 12.250 10.869 ( 4.790 7.642 8.290) 12.250 11.268 ( -2.917 -4.709 9.075) 10.632 11.268 ( -2.917 4.709 9.075) 10.632 12.003 ( 5.226 -7.700 0.498) 9.319 12.003 ( 5.226 7.700 0.498) 9.319 12.304 ( 1.684 -7.449 -3.562) 8.427 12.304 ( 1.684 7.449 -3.562) 8.427 12.700 ( -3.637 -4.228 -4.906) 7.428 12.700 ( -3.637 4.228 -4.906) 7.428 12.841 ( -7.731 -7.691 -7.318) 13.133 12.841 ( -7.731 7.691 -7.318) 13.133 13.863 ( 5.377 -1.684 -3.214) 6.486 13.863 ( 5.377 1.684 -3.214) 6.486 14.148 ( -3.905 -2.850 -3.510) 5.974 14.148 ( -3.905 2.850 -3.510) 5.974 14.763 ( 2.620 -1.359 -1.578) 3.347 14.763 ( 2.620 1.359 -1.578) 3.347 14.982 ( -2.302 -2.313 -2.924) 4.382 14.982 ( -2.302 2.313 -2.924) 4.382 16.160 ( 7.861 -4.152 5.470) 10.437 16.160 ( 7.861 4.152 5.470) 10.437 16.662 ( -6.148 -7.412 8.207) 12.653 16.662 ( -6.148 7.412 8.207) 12.653 19.306 ( -0.528 -9.606 -1.495) 9.736 19.306 ( -0.528 9.606 -1.495) 9.736 19.435 ( -5.230 -2.004 -7.586) 9.429 19.435 ( -5.230 2.004 -7.586) 9.430 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 5.223 -15.071 7.867) 17.785 2.254 ( 5.223 15.071 7.867) 17.785 2.356 ( -5.111 -15.717 5.626) 17.459 2.356 ( -5.111 15.717 5.626) 17.459 2.713 ( 3.968 -3.390 -2.232) 5.676 2.713 ( 3.968 3.390 -2.232) 5.676 2.777 ( -2.402 -4.366 -2.651) 5.645 2.777 ( -2.402 4.366 -2.651) 5.645 3.544 ( 4.172 -9.249 1.008) 10.196 3.544 ( 4.172 9.249 1.008) 10.196 3.623 ( -3.673 -8.036 0.220) 8.839 3.623 ( -3.673 8.036 0.220) 8.839 5.753 ( 13.983 -7.990 3.070) 16.395 5.753 ( 13.983 7.990 3.070) 16.395 5.970 ( -5.579 -5.323 5.660) 9.566 5.970 ( -5.579 5.323 5.660) 9.566 6.653 ( 4.488 -2.261 -9.748) 10.967 6.653 ( 4.488 2.261 -9.748) 10.967 6.762 ( -2.163 -8.841 -12.634) 15.571 6.762 ( -2.163 8.841 -12.634) 15.571 7.324 ( 0.541 -8.180 -17.399) 19.234 7.324 ( 0.541 8.180 -17.399) 19.234 7.502 ( -14.305 -12.420 -7.155) 20.251 7.502 ( -14.305 12.420 -7.155) 20.251 8.789 ( 8.055 -11.607 9.921) 17.264 8.789 ( 8.055 11.607 9.921) 17.264 8.940 ( -7.033 -13.349 5.918) 16.207 8.940 ( -7.033 13.349 5.918) 16.207 9.931 ( 12.559 -9.616 -2.984) 16.096 9.931 ( 12.559 9.616 -2.984) 16.096 10.166 ( -10.550 -7.821 -3.161) 13.508 10.166 ( -10.550 7.821 -3.161) 13.508 11.013 ( 8.452 -7.971 8.429) 14.353 11.013 ( 8.452 7.971 8.429) 14.353 11.167 ( -6.887 -5.957 9.282) 13.003 11.167 ( -6.887 5.957 9.282) 13.003 12.140 ( 8.036 -4.460 0.654) 9.214 12.140 ( 8.036 4.460 0.654) 9.214 12.280 ( -4.910 -0.786 -0.854) 5.046 12.280 ( -4.910 0.786 -0.854) 5.046 12.658 ( 0.603 -4.828 -6.056) 7.768 12.658 ( 0.603 4.828 -6.056) 7.768 12.719 ( -4.899 -7.283 -6.662) 11.019 12.719 ( -4.899 7.283 -6.662) 11.019 13.969 ( 5.294 -0.470 -3.674) 6.461 13.969 ( 5.294 0.470 -3.674) 6.461 14.066 ( -4.580 -1.261 -3.730) 6.039 14.066 ( -4.580 1.261 -3.730) 6.039 14.830 ( 4.070 -1.174 -1.224) 4.410 14.830 ( 4.070 1.174 -1.224) 4.410 14.914 ( -4.220 -1.426 -1.686) 4.763 14.914 ( -4.220 1.426 -1.686) 4.763 16.333 ( 9.509 -5.799 6.120) 12.709 16.333 ( 9.509 5.799 6.120) 12.709 16.515 ( -8.694 -7.012 6.880) 13.118 16.515 ( -8.694 7.012 6.880) 13.118 19.306 ( 0.948 -6.052 -5.859) 8.477 19.306 ( 0.948 6.052 -5.859) 8.477 19.349 ( -3.380 -3.917 -7.769) 9.335 19.349 ( -3.380 3.917 -7.769) 9.335 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 0.000 -0.165) 0.165 1.689 ( 0.000 0.000 -7.159) 7.159 2.205 ( 0.000 0.000 14.287) 14.287 2.481 ( 0.000 0.000 -13.158) 13.158 2.578 ( 0.000 0.000 8.081) 8.081 2.602 ( 0.000 0.000 7.012) 7.012 2.728 ( 0.000 0.000 -5.997) 5.997 2.818 ( 0.000 0.000 -11.815) 11.815 3.263 ( 0.000 0.000 7.822) 7.822 3.395 ( 0.000 0.000 -4.715) 4.715 4.099 ( 0.000 0.000 15.829) 15.829 4.230 ( 0.000 0.000 18.252) 18.252 4.328 ( 0.000 0.000 -7.706) 7.706 4.632 ( 0.000 0.000 -20.118) 20.118 5.733 ( 0.000 0.000 1.536) 1.536 5.912 ( 0.000 0.000 -15.939) 15.939 6.018 ( 0.000 0.000 25.299) 25.299 6.360 ( 0.000 0.000 -3.181) 3.181 6.781 ( 0.000 0.000 2.338) 2.338 6.943 ( 0.000 0.000 -17.042) 17.042 7.246 ( 0.000 0.000 35.419) 35.419 7.883 ( 0.000 0.000 -14.025) 14.025 8.148 ( 0.000 0.000 5.667) 5.667 8.424 ( 0.000 0.000 -12.539) 12.539 8.656 ( 0.000 0.000 0.187) 0.187 8.787 ( 0.000 0.000 -13.456) 13.456 8.938 ( 0.000 0.000 14.762) 14.762 9.147 ( 0.000 0.000 3.447) 3.447 9.654 ( 0.000 0.000 1.934) 1.934 9.933 ( 0.000 0.000 -16.794) 16.794 10.115 ( 0.000 0.000 -0.396) 0.396 10.121 ( 0.000 0.000 0.143) 0.143 10.797 ( 0.000 0.000 8.675) 8.675 10.945 ( 0.000 0.000 -4.660) 4.660 11.156 ( 0.000 0.000 13.803) 13.803 11.350 ( 0.000 0.000 0.065) 0.065 11.371 ( 0.000 0.000 -1.700) 1.700 11.475 ( 0.000 0.000 -16.775) 16.775 12.275 ( 0.000 0.000 15.896) 15.896 12.601 ( 0.000 0.000 -15.264) 15.264 12.610 ( 0.000 0.000 8.967) 8.967 12.866 ( 0.000 0.000 -13.994) 13.994 13.275 ( 0.000 0.000 8.500) 8.500 13.316 ( 0.000 0.000 10.725) 10.725 13.499 ( 0.000 0.000 -11.521) 11.521 13.536 ( 0.000 0.000 -10.230) 10.230 14.073 ( 0.000 0.000 7.389) 7.389 14.258 ( 0.000 0.000 -10.496) 10.496 14.623 ( 0.000 0.000 3.699) 3.699 14.695 ( 0.000 0.000 6.076) 6.076 14.732 ( 0.000 0.000 -6.118) 6.118 14.807 ( 0.000 0.000 -4.686) 4.686 16.141 ( 0.000 0.000 2.979) 2.979 16.172 ( 0.000 0.000 -0.194) 0.194 16.864 ( 0.000 0.000 16.159) 16.159 17.127 ( 0.000 0.000 -8.655) 8.655 19.252 ( 0.000 0.000 17.340) 17.340 19.553 ( 0.000 0.000 -11.671) 11.671 19.878 ( 0.000 0.000 5.769) 5.769 20.024 ( 0.000 0.000 -7.935) 7.935 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -7.704 0.000 -0.921) 7.759 1.621 ( -6.994 0.000 -7.755) 10.443 2.247 ( 3.559 0.000 10.608) 11.189 2.459 ( -1.182 0.000 -9.354) 9.428 2.623 ( 4.446 0.000 7.891) 9.057 2.680 ( 6.258 0.000 5.945) 8.632 2.763 ( 3.474 0.000 -5.309) 6.344 2.875 ( 5.245 0.000 -10.119) 11.398 3.272 ( 1.055 0.000 5.968) 6.061 3.376 ( -1.532 0.000 -3.868) 4.160 4.115 ( 2.280 0.000 13.334) 13.527 4.304 ( -1.730 0.000 -6.258) 6.493 4.306 ( 7.528 0.000 17.632) 19.171 4.694 ( 6.009 0.000 -19.299) 20.213 5.859 ( 12.332 0.000 2.106) 12.510 5.959 ( -5.036 0.000 23.720) 24.249 6.024 ( 10.929 0.000 -14.035) 17.788 6.313 ( -4.686 0.000 -6.805) 8.262 6.794 ( 1.769 0.000 5.867) 6.128 7.008 ( 5.048 0.000 -15.829) 16.614 7.094 ( -13.289 0.000 32.606) 35.210 7.753 ( -13.135 0.000 -24.907) 28.158 8.215 ( 5.953 0.000 13.580) 14.828 8.499 ( 3.648 0.000 -10.924) 11.517 8.512 ( -28.810 0.000 15.595) 32.760 8.650 ( 0.852 0.000 1.900) 2.083 8.791 ( 0.914 0.000 -12.483) 12.517 8.861 ( -29.393 0.000 -16.744) 33.827 9.864 ( 19.742 0.000 18.341) 26.947 10.053 ( -4.266 0.000 3.066) 5.254 10.103 ( -2.841 0.000 -1.593) 3.257 10.224 ( 17.253 0.000 -14.885) 22.787 10.762 ( -4.056 0.000 2.470) 4.749 10.771 ( -9.997 0.000 1.604) 10.125 11.347 ( 11.390 0.000 6.844) 13.288 11.380 ( 4.917 0.000 4.499) 6.664 11.487 ( 10.005 0.000 -5.691) 11.510 11.509 ( 3.258 0.000 -9.448) 9.994 12.268 ( -0.551 0.000 15.253) 15.263 12.580 ( -2.081 0.000 -14.158) 14.310 12.609 ( 0.246 0.000 7.826) 7.830 12.853 ( -0.878 0.000 -14.257) 14.284 13.229 ( -4.166 0.000 7.685) 8.742 13.351 ( 3.224 0.000 9.188) 9.737 13.442 ( -5.508 0.000 -11.467) 12.721 13.549 ( 1.183 0.000 -9.462) 9.536 14.066 ( -0.650 0.000 6.696) 6.727 14.231 ( -2.574 0.000 -9.117) 9.474 14.628 ( 1.012 0.000 5.251) 5.348 14.712 ( 1.716 0.000 4.815) 5.112 14.763 ( 2.725 0.000 -7.071) 7.578 14.808 ( 0.197 0.000 -4.210) 4.215 16.149 ( 0.130 0.000 1.710) 1.715 16.157 ( -2.064 0.000 0.726) 2.188 16.886 ( 2.521 0.000 15.235) 15.442 17.131 ( 0.995 0.000 -7.783) 7.846 19.234 ( -1.750 0.000 16.027) 16.122 19.515 ( -3.738 0.000 -11.108) 11.720 19.813 ( -6.463 0.000 5.961) 8.792 19.975 ( -5.071 0.000 -9.189) 10.496 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -15.641 0.000 -1.945) 15.762 1.411 ( -14.460 0.000 -9.987) 17.573 2.315 ( 2.955 0.000 4.293) 5.212 2.441 ( -0.828 0.000 -7.038) 7.087 2.739 ( 6.943 0.000 7.272) 10.054 2.800 ( 5.410 0.000 8.898) 10.413 2.853 ( 5.261 0.000 -3.558) 6.352 2.979 ( 4.185 0.000 -6.324) 7.584 3.296 ( 0.580 0.000 1.729) 1.824 3.351 ( -0.817 0.000 -3.713) 3.801 4.227 ( 9.771 0.000 7.314) 12.205 4.307 ( 3.675 0.000 -1.183) 3.861 4.502 ( 11.595 0.000 15.605) 19.441 4.843 ( 8.189 0.000 -16.645) 18.550 5.872 ( -2.427 0.000 19.780) 19.928 6.179 ( 18.844 0.000 5.509) 19.633 6.206 ( -5.039 0.000 -10.099) 11.287 6.298 ( 15.066 0.000 -6.356) 16.352 6.818 ( -12.024 0.000 20.655) 23.900 6.824 ( -0.014 0.000 10.272) 10.272 7.088 ( 1.849 0.000 -14.946) 15.060 7.414 ( -20.446 0.000 -29.821) 36.157 7.969 ( -25.065 0.000 9.829) 26.923 8.243 ( -30.639 0.000 -16.511) 34.805 8.248 ( -5.694 0.000 11.308) 12.661 8.440 ( -8.879 0.000 -7.354) 11.529 8.744 ( 8.284 0.000 3.763) 9.099 8.882 ( 8.862 0.000 -7.539) 11.635 9.997 ( -0.942 0.000 2.381) 2.561 10.025 ( -4.197 0.000 0.580) 4.237 10.211 ( 14.159 0.000 15.024) 20.645 10.473 ( 8.125 0.000 -9.997) 12.882 10.607 ( -9.354 0.000 0.057) 9.354 10.622 ( -8.361 0.000 -1.500) 8.495 11.511 ( 5.879 0.000 6.178) 8.528 11.550 ( 12.056 0.000 9.138) 15.128 11.604 ( 5.849 0.000 -2.910) 6.533 11.731 ( 13.650 0.000 -7.429) 15.541 12.261 ( 0.035 0.000 13.013) 13.013 12.527 ( -3.152 0.000 -11.483) 11.908 12.630 ( 1.784 0.000 6.736) 6.969 12.857 ( 1.777 0.000 -14.152) 14.263 13.134 ( -5.248 0.000 5.193) 7.383 13.306 ( -7.617 0.000 -10.463) 12.942 13.425 ( 3.921 0.000 5.928) 7.108 13.575 ( 1.231 0.000 -7.806) 7.902 14.052 ( -0.715 0.000 4.759) 4.813 14.167 ( -3.632 0.000 -6.346) 7.312 14.673 ( 3.510 0.000 6.785) 7.640 14.756 ( 2.533 0.000 2.697) 3.700 14.816 ( 0.709 0.000 -2.908) 2.993 14.827 ( 3.629 0.000 -7.301) 8.153 16.072 ( -6.542 0.000 2.542) 7.019 16.118 ( -3.773 0.000 -1.613) 4.103 16.972 ( 6.265 0.000 13.897) 15.244 17.186 ( 4.640 0.000 -5.847) 7.464 19.189 ( -2.607 0.000 12.390) 12.661 19.415 ( -6.190 0.000 -9.471) 11.315 19.641 ( -10.565 0.000 5.671) 11.991 19.827 ( -9.892 0.000 -11.577) 15.228 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -19.902 0.000 -4.239) 20.348 1.065 ( -20.165 0.000 -12.736) 23.850 2.360 ( 1.735 0.000 -0.344) 1.769 2.421 ( -1.168 0.000 -5.457) 5.581 2.877 ( 6.640 0.000 5.926) 8.900 2.888 ( 3.727 0.000 10.186) 10.847 2.951 ( 4.345 0.000 -1.181) 4.503 3.021 ( 0.278 0.000 -1.189) 1.221 3.282 ( -1.468 0.000 -1.546) 2.132 3.325 ( -2.302 0.000 -6.295) 6.702 4.445 ( 12.358 0.000 7.059) 14.232 4.521 ( 16.085 0.000 1.536) 16.158 4.724 ( 10.262 0.000 11.674) 15.543 4.969 ( 3.699 0.000 -11.062) 11.665 5.914 ( 7.710 0.000 12.539) 14.720 6.158 ( 1.062 0.000 -9.259) 9.320 6.325 ( -7.452 0.000 23.383) 24.542 6.633 ( 22.084 0.000 1.225) 22.118 6.743 ( -8.893 0.000 10.247) 13.567 6.806 ( 2.307 0.000 -11.017) 11.256 7.000 ( -13.395 0.000 -12.930) 18.617 7.025 ( -9.633 0.000 -27.302) 28.952 7.596 ( -11.132 0.000 3.221) 11.588 7.762 ( -16.717 0.000 -12.695) 20.991 8.002 ( -17.370 0.000 9.298) 19.702 8.187 ( -16.338 0.000 -8.414) 18.377 8.957 ( 12.354 0.000 6.861) 14.132 9.085 ( 10.522 0.000 -4.153) 11.312 9.938 ( -3.900 0.000 5.427) 6.683 10.019 ( 0.857 0.000 -2.901) 3.024 10.361 ( -12.121 0.000 4.519) 12.936 10.417 ( 7.387 0.000 8.865) 11.540 10.490 ( -6.726 0.000 -7.383) 9.987 10.565 ( 1.948 0.000 -5.441) 5.779 11.619 ( 5.281 0.000 5.421) 7.568 11.699 ( 3.514 0.000 -1.727) 3.915 11.813 ( 13.501 0.000 10.041) 16.826 11.973 ( 10.057 0.000 -3.818) 10.757 12.275 ( 1.482 0.000 8.613) 8.739 12.460 ( -3.613 0.000 -7.540) 8.361 12.675 ( 3.023 0.000 7.924) 8.481 12.919 ( 4.099 0.000 -14.098) 14.682 13.020 ( -6.614 0.000 4.090) 7.776 13.172 ( -5.525 0.000 -9.663) 11.131 13.491 ( 2.671 0.000 2.294) 3.521 13.587 ( -0.178 0.000 -6.262) 6.264 14.043 ( -0.084 0.000 2.275) 2.277 14.102 ( -2.821 0.000 -3.471) 4.473 14.760 ( 5.156 0.000 6.878) 8.596 14.804 ( 2.276 0.000 1.465) 2.707 14.835 ( 1.037 0.000 -1.310) 1.671 14.896 ( 3.024 0.000 -5.262) 6.069 15.928 ( -7.025 0.000 2.299) 7.392 16.008 ( -6.750 0.000 -4.777) 8.269 17.120 ( 8.357 0.000 13.011) 15.464 17.291 ( 5.101 0.000 -2.454) 5.660 19.143 ( -1.785 0.000 7.258) 7.474 19.288 ( -6.376 0.000 -6.821) 9.338 19.435 ( -9.326 0.000 2.855) 9.754 19.605 ( -11.978 0.000 -12.605) 17.389 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -10.576 0.000 -11.084) 15.321 0.688 ( -15.145 0.000 -15.357) 21.569 2.384 ( 0.851 0.000 -3.281) 3.390 2.400 ( -0.908 0.000 -4.605) 4.694 2.952 ( 2.869 0.000 8.863) 9.316 2.980 ( 3.525 0.000 3.903) 5.259 3.001 ( -2.041 0.000 4.804) 5.220 3.006 ( 0.901 0.000 1.446) 1.704 3.262 ( -0.257 0.000 -5.037) 5.044 3.278 ( -1.890 0.000 -6.967) 7.219 4.697 ( 11.081 0.000 10.679) 15.390 4.769 ( 5.726 0.000 5.474) 7.922 4.887 ( 6.403 0.000 5.011) 8.131 4.977 ( -2.529 0.000 -3.120) 4.016 6.178 ( 18.441 0.000 3.485) 18.767 6.228 ( 2.460 0.000 5.247) 5.795 6.266 ( 9.770 0.000 -4.236) 10.648 6.471 ( -20.069 0.000 -15.137) 25.137 6.504 ( -13.874 0.000 3.339) 14.270 6.604 ( -23.265 0.000 -4.835) 23.762 7.074 ( 21.525 0.000 3.796) 21.857 7.263 ( 12.444 0.000 -13.191) 18.134 7.515 ( 0.447 0.000 -3.358) 3.387 7.567 ( -5.071 0.000 -8.147) 9.596 7.659 ( -12.331 0.000 7.077) 14.218 7.829 ( -19.101 0.000 -9.034) 21.129 9.180 ( 9.025 0.000 4.859) 10.249 9.241 ( 3.659 0.000 -0.638) 3.714 9.877 ( -1.062 0.000 7.043) 7.122 9.946 ( -7.133 0.000 1.434) 7.276 10.266 ( 2.402 0.000 -1.344) 2.753 10.360 ( -6.158 0.000 -8.629) 10.601 10.521 ( 3.670 0.000 3.498) 5.070 10.569 ( -1.225 0.000 -1.104) 1.648 11.706 ( 3.273 0.000 3.162) 4.551 11.737 ( 0.224 0.000 0.462) 0.513 12.032 ( 7.936 0.000 7.137) 10.673 12.095 ( 1.812 0.000 2.543) 3.123 12.318 ( 2.819 0.000 2.575) 3.818 12.385 ( -3.910 0.000 -2.596) 4.693 12.755 ( 5.255 0.000 7.822) 9.423 12.879 ( -7.106 0.000 4.977) 8.675 13.005 ( 4.227 0.000 -12.174) 12.887 13.084 ( -3.973 0.000 -11.007) 11.702 13.534 ( 1.886 0.000 -1.429) 2.366 13.568 ( -1.564 0.000 -4.471) 4.737 14.047 ( 0.438 0.000 0.352) 0.562 14.062 ( -1.247 0.000 -1.189) 1.723 14.840 ( 1.217 0.000 0.887) 1.505 14.849 ( 0.239 0.000 0.018) 0.239 14.861 ( 4.719 0.000 4.995) 6.871 14.922 ( -0.919 0.000 -0.138) 0.929 15.840 ( -1.209 0.000 -1.605) 2.009 15.884 ( -5.114 0.000 -5.277) 7.348 17.274 ( 6.540 0.000 10.186) 12.104 17.346 ( -0.295 0.000 3.873) 3.884 19.131 ( 0.852 0.000 1.762) 1.958 19.181 ( -4.195 0.000 -3.085) 5.207 19.322 ( -1.229 0.000 -3.606) 3.810 19.396 ( -8.244 0.000 -10.131) 13.061 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.000 12.472 -1.026) 12.514 1.812 ( 0.000 10.683 -4.551) 11.612 2.191 ( 0.000 -0.761 11.857) 11.882 2.458 ( 0.000 -1.099 -13.303) 13.348 2.558 ( 0.000 -2.242 9.586) 9.845 2.652 ( 0.000 4.645 8.786) 9.939 2.746 ( 0.000 1.244 -6.767) 6.881 2.891 ( 0.000 6.267 -11.519) 13.114 3.176 ( 0.000 -7.743 6.165) 9.897 3.299 ( 0.000 -8.520 -5.497) 10.139 3.910 ( 0.000 -13.798 14.320) 19.886 4.148 ( 0.000 -13.664 -9.222) 16.485 4.443 ( 0.000 16.111 16.916) 23.361 4.814 ( 0.000 13.448 -18.710) 23.041 5.667 ( 0.000 -4.448 1.945) 4.855 5.837 ( 0.000 -5.301 -14.411) 15.355 6.117 ( 0.000 7.957 27.424) 28.555 6.557 ( 0.000 15.438 -7.617) 17.215 6.955 ( 0.000 0.590 1.042) 1.197 6.983 ( 0.000 17.490 -0.942) 17.516 7.290 ( 0.000 4.726 25.258) 25.696 7.871 ( 0.000 -1.352 -12.087) 12.162 8.126 ( 0.000 -2.511 4.027) 4.745 8.397 ( 0.000 -2.773 -12.989) 13.282 8.643 ( 0.000 -0.819 -0.114) 0.827 8.731 ( 0.000 -4.589 -7.702) 8.965 9.025 ( 0.000 6.589 10.891) 12.729 9.123 ( 0.000 -3.001 4.997) 5.829 9.645 ( 0.000 0.567 -6.087) 6.113 9.735 ( 0.000 -11.978 -9.191) 15.098 10.166 ( 0.000 3.410 1.583) 3.760 10.238 ( 0.000 5.318 -5.010) 7.306 10.780 ( 0.000 -1.027 8.225) 8.289 10.908 ( 0.000 -3.052 -3.341) 4.525 11.103 ( 0.000 -4.416 12.412) 13.174 11.337 ( 0.000 -4.639 -6.345) 7.860 11.458 ( 0.000 7.726 -0.975) 7.787 11.519 ( 0.000 7.449 -10.660) 13.005 12.298 ( 0.000 1.314 12.247) 12.317 12.461 ( 0.000 -8.370 -0.450) 8.382 12.709 ( 0.000 4.494 -3.095) 5.457 12.853 ( 0.000 -0.595 -12.770) 12.784 13.149 ( 0.000 -6.450 10.130) 12.009 13.392 ( 0.000 -6.553 -12.377) 14.004 13.453 ( 0.000 7.381 7.681) 10.652 13.626 ( 0.000 4.540 -8.322) 9.480 14.107 ( 0.000 3.101 7.161) 7.803 14.279 ( 0.000 1.709 -9.609) 9.760 14.639 ( 0.000 1.234 2.163) 2.490 14.713 ( 0.000 -1.458 -4.233) 4.477 14.713 ( 0.000 1.948 5.399) 5.739 14.824 ( 0.000 1.396 -5.312) 5.492 16.102 ( 0.000 -3.466 2.713) 4.401 16.129 ( 0.000 -3.837 -0.041) 3.837 16.887 ( 0.000 2.140 14.709) 14.864 17.116 ( 0.000 -0.989 -6.891) 6.962 19.265 ( 0.000 1.390 16.018) 16.079 19.545 ( 0.000 -0.553 -10.998) 11.012 19.823 ( 0.000 -4.848 3.970) 6.266 19.924 ( 0.000 -8.863 -5.273) 10.313 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -5.080 14.592 -1.366) 15.511 1.772 ( -4.109 12.714 -5.192) 14.335 2.231 ( 3.434 -0.862 9.038) 9.707 2.444 ( -1.002 -0.451 -9.721) 9.783 2.596 ( 3.997 -3.060 7.977) 9.432 2.716 ( 4.676 2.627 5.786) 7.889 2.768 ( 2.939 0.965 -3.379) 4.581 2.935 ( 3.488 4.203 -9.004) 10.531 3.197 ( 2.400 -6.091 4.092) 7.720 3.295 ( 0.088 -6.937 -4.778) 8.424 3.929 ( 2.385 -13.718 11.958) 18.353 4.126 ( -1.790 -13.458 -7.565) 15.542 4.523 ( 7.936 16.362 16.116) 24.299 4.879 ( 6.479 13.796 -17.982) 23.572 5.766 ( 9.290 -5.267 3.317) 11.183 5.927 ( 8.408 -5.680 -11.533) 15.361 6.064 ( -3.803 6.968 24.104) 25.378 6.500 ( -5.590 13.312 -12.297) 18.966 6.931 ( 0.566 6.534 12.940) 14.507 7.056 ( 0.196 9.085 7.073) 11.515 7.178 ( -6.522 7.525 7.961) 12.749 7.740 ( -13.117 -1.395 -21.881) 25.550 8.121 ( -2.985 -5.904 9.967) 11.963 8.393 ( -5.271 -7.399 -10.507) 13.890 8.633 ( -3.639 2.449 2.595) 5.096 8.690 ( -7.096 4.716 7.548) 11.382 8.732 ( -5.682 0.741 -4.575) 7.333 9.004 ( -16.133 8.032 -15.685) 23.892 9.745 ( 13.011 -6.855 9.345) 17.424 9.901 ( 4.847 -10.526 -3.710) 12.167 10.148 ( -0.649 2.643 5.413) 6.058 10.294 ( 5.888 0.073 -7.332) 9.404 10.776 ( -5.416 1.405 2.768) 6.243 10.801 ( -0.601 4.316 0.393) 4.376 11.269 ( 10.129 -6.171 7.810) 14.201 11.404 ( 6.046 -3.587 -2.142) 7.349 11.504 ( 3.150 5.093 -3.030) 6.711 11.562 ( 6.740 6.746 -6.539) 11.563 12.301 ( 0.204 1.924 11.795) 11.953 12.468 ( 0.677 -7.606 -1.248) 7.737 12.674 ( -3.037 3.427 -2.374) 5.158 12.827 ( -2.277 -1.808 -13.177) 13.494 13.126 ( -2.429 -6.478 8.792) 11.188 13.345 ( -4.663 -6.234 -11.085) 13.546 13.467 ( 1.612 6.658 5.771) 8.957 13.617 ( -0.388 4.293 -7.792) 8.905 14.097 ( -0.932 2.819 6.352) 7.011 14.249 ( -2.836 1.431 -8.271) 8.860 14.644 ( 0.880 1.130 3.513) 3.794 14.727 ( 1.289 -0.311 0.073) 1.328 14.745 ( 2.603 0.932 -0.322) 2.783 14.840 ( 1.536 2.127 -5.489) 6.084 16.117 ( 0.844 -2.884 1.759) 3.482 16.126 ( -0.702 -2.826 0.698) 2.994 16.895 ( 1.120 0.991 13.962) 14.041 17.111 ( -0.098 -1.848 -6.218) 6.487 19.247 ( -1.725 1.405 14.701) 14.869 19.508 ( -3.720 -0.546 -10.440) 11.097 19.762 ( -6.038 -4.479 4.220) 8.621 19.880 ( -4.497 -8.377 -6.624) 11.588 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -10.284 20.421 -1.106) 22.892 1.643 ( -9.277 18.544 -7.039) 21.897 2.299 ( 3.187 -0.649 3.709) 4.933 2.429 ( -0.582 -0.388 -7.084) 7.118 2.704 ( 6.677 -3.704 7.142) 10.455 2.793 ( 3.582 -1.590 2.848) 4.845 2.854 ( 4.574 0.301 2.543) 5.242 2.990 ( 1.769 -0.610 -4.732) 5.089 3.252 ( 2.081 -3.130 1.378) 4.004 3.323 ( 2.480 -1.631 -5.057) 5.864 4.031 ( 8.601 -14.368 6.024) 17.796 4.113 ( 1.637 -14.293 -2.450) 14.593 4.734 ( 12.857 17.221 14.207) 25.762 5.049 ( 10.112 15.297 -15.849) 24.238 5.886 ( -1.066 1.639 18.189) 18.294 6.083 ( 11.849 -4.530 4.619) 13.501 6.162 ( 10.491 -3.894 -2.010) 11.369 6.389 ( -3.283 6.484 -12.146) 14.155 6.835 ( -10.871 1.735 20.246) 23.045 6.991 ( -0.368 11.179 7.812) 13.643 7.159 ( -2.749 5.675 -9.473) 11.380 7.409 ( -18.973 -0.784 -25.651) 31.915 7.899 ( -15.400 -2.187 5.498) 16.497 8.128 ( -20.974 -6.867 -13.983) 26.127 8.433 ( -11.112 11.997 7.945) 18.181 8.568 ( -11.080 8.363 -6.317) 15.252 8.757 ( 8.143 1.609 5.778) 10.113 8.927 ( 6.675 4.505 -7.903) 11.283 9.895 ( 3.445 -7.536 1.808) 8.482 9.926 ( -1.410 -8.025 -0.034) 8.148 10.227 ( 7.993 -0.972 10.452) 13.194 10.390 ( 1.634 -5.683 -5.594) 8.140 10.685 ( -4.127 7.129 2.907) 8.735 10.766 ( -3.508 10.573 -4.042) 11.850 11.426 ( 6.416 -6.111 7.350) 11.512 11.521 ( 5.347 -5.834 -1.330) 8.024 11.629 ( 10.222 5.018 5.506) 12.649 11.768 ( 12.444 3.355 -6.696) 14.524 12.302 ( -0.194 2.694 10.295) 10.643 12.479 ( -0.178 -4.952 -4.275) 6.545 12.617 ( -2.117 -0.173 1.152) 2.416 12.794 ( -0.237 -5.204 -13.195) 14.186 13.057 ( -4.359 -6.142 5.421) 9.280 13.219 ( -7.644 -6.632 -9.549) 13.914 13.519 ( 3.356 6.498 3.304) 8.025 13.625 ( 1.069 3.913 -6.406) 7.582 14.074 ( -1.219 2.061 4.337) 4.954 14.181 ( -3.864 1.026 -5.821) 7.061 14.681 ( 2.835 0.619 4.499) 5.354 14.755 ( 1.675 -1.300 -1.031) 2.358 14.803 ( 3.029 2.078 0.417) 3.697 14.881 ( 2.445 2.764 -5.516) 6.637 16.074 ( -4.262 0.249 2.613) 5.005 16.116 ( -1.726 -0.116 -1.199) 2.104 16.943 ( 3.891 -2.444 12.810) 13.609 17.133 ( 2.570 -4.702 -4.741) 7.155 19.203 ( -2.624 1.375 11.110) 11.498 19.408 ( -6.122 -0.512 -8.844) 10.768 19.601 ( -9.806 -3.429 4.141) 11.184 19.748 ( -8.805 -6.933 -9.292) 14.558 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -11.714 28.937 -1.466) 31.252 1.420 ( -12.562 26.837 -7.589) 30.588 2.353 ( 2.256 0.039 -0.363) 2.285 2.418 ( -0.552 0.264 -5.628) 5.661 2.840 ( 6.665 -3.897 5.973) 9.762 2.859 ( 3.086 -2.905 6.512) 7.770 2.930 ( 3.035 -2.452 1.478) 4.172 3.008 ( 0.329 -2.138 -2.095) 3.012 3.271 ( 0.206 -0.180 0.154) 0.314 3.341 ( -1.089 1.885 -6.397) 6.757 4.213 ( 8.844 -16.994 4.700) 19.726 4.256 ( 12.258 -17.578 1.795) 21.505 4.993 ( 12.747 18.390 10.928) 24.902 5.231 ( 7.062 19.010 -11.350) 23.240 5.899 ( 4.991 -0.639 14.507) 15.355 6.192 ( 0.679 3.146 -10.512) 10.994 6.282 ( -3.479 -3.558 21.445) 22.015 6.474 ( 10.954 -6.131 2.692) 12.838 6.758 ( 2.712 -3.021 -11.003) 11.728 6.893 ( -21.660 -2.188 -22.009) 30.957 6.927 ( -6.927 5.666 6.814) 11.248 7.129 ( -7.555 2.651 -11.979) 14.409 7.698 ( -6.565 4.240 -2.521) 8.212 7.735 ( -13.043 2.261 -5.665) 14.399 8.191 ( -13.284 13.958 5.424) 20.018 8.318 ( -14.451 13.399 -6.531) 20.761 8.962 ( 11.695 0.531 7.765) 14.048 9.100 ( 9.284 1.515 -4.424) 10.395 9.881 ( -2.102 -5.192 5.298) 7.711 9.968 ( 3.061 -4.733 -3.506) 6.638 10.302 ( -6.223 -2.996 2.523) 7.353 10.357 ( 0.498 -4.410 -1.068) 4.565 10.614 ( -1.547 10.310 3.937) 11.144 10.712 ( -1.742 10.770 -4.163) 11.678 11.545 ( 5.649 -6.152 5.874) 10.211 11.614 ( 3.804 -6.848 -0.278) 7.839 11.858 ( 12.162 3.348 8.087) 14.984 11.998 ( 10.209 2.049 -4.408) 11.307 12.291 ( -0.857 1.293 7.679) 7.834 12.440 ( -3.703 -1.725 -5.864) 7.147 12.614 ( 2.017 -4.906 5.984) 7.997 12.824 ( 2.945 -8.285 -12.608) 15.371 12.955 ( -6.291 -5.720 2.887) 8.979 13.077 ( -6.104 -7.629 -8.204) 12.758 13.582 ( 2.755 6.955 0.621) 7.507 13.646 ( 0.738 4.889 -5.167) 7.152 14.056 ( -0.541 1.058 1.930) 2.267 14.110 ( -3.051 0.609 -3.353) 4.574 14.751 ( 4.123 -0.393 4.030) 5.779 14.795 ( 2.314 -1.228 -0.333) 2.641 14.854 ( 1.997 2.127 1.231) 3.167 14.922 ( 1.365 1.656 -4.086) 4.615 15.978 ( -4.632 4.668 2.562) 7.057 16.050 ( -4.558 3.985 -3.846) 7.173 17.045 ( 6.166 -6.773 11.959) 15.064 17.198 ( 3.260 -8.377 -1.958) 9.200 19.155 ( -1.879 1.200 6.237) 6.623 19.284 ( -6.095 -0.279 -6.396) 8.840 19.410 ( -8.681 -2.118 1.885) 9.132 19.551 ( -10.641 -4.789 -10.740) 15.859 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -4.692 36.623 -3.541) 37.092 1.207 ( -7.459 35.399 -6.215) 36.706 2.387 ( 1.301 0.865 -2.979) 3.364 2.406 ( -0.695 1.028 -4.498) 4.666 2.911 ( 2.099 -3.609 7.159) 8.287 2.929 ( 1.172 -4.260 5.543) 7.088 2.975 ( 2.369 -2.765 1.276) 3.858 3.008 ( -0.566 -2.045 -0.164) 2.128 3.276 ( 0.674 1.985 -2.426) 3.206 3.303 ( -2.052 2.719 -5.011) 6.059 4.392 ( 7.487 -20.277 7.764) 22.967 4.436 ( 4.035 -20.566 4.490) 21.434 5.206 ( 8.235 19.606 5.367) 21.932 5.294 ( -0.654 21.069 -2.793) 21.263 6.087 ( 11.444 -6.053 4.127) 13.588 6.217 ( 0.820 -2.627 7.024) 7.544 6.251 ( 6.080 0.202 -5.690) 8.330 6.483 ( -10.295 2.873 -6.322) 12.418 6.508 ( -13.052 -3.422 -6.796) 15.108 6.576 ( -16.436 0.912 -5.406) 17.326 6.986 ( 12.096 -3.858 0.523) 12.707 7.143 ( 0.320 -5.239 -12.734) 13.773 7.570 ( 1.921 -1.895 3.524) 4.439 7.681 ( -2.861 1.897 -7.048) 7.840 7.970 ( -6.227 24.196 1.356) 25.021 8.042 ( -11.627 23.713 -5.088) 26.895 9.172 ( 8.424 -0.853 5.151) 9.911 9.234 ( 2.786 -0.660 -0.609) 2.927 9.859 ( 0.912 -1.470 6.875) 7.090 9.941 ( -5.943 -0.205 0.113) 5.947 10.230 ( 2.050 -3.339 -0.941) 4.030 10.312 ( -4.640 -3.830 -7.072) 9.285 10.635 ( 2.528 9.814 3.265) 10.648 10.681 ( -1.892 9.856 -1.020) 10.087 11.634 ( 3.132 -6.420 3.580) 7.991 11.659 ( 0.612 -6.768 1.387) 6.935 12.069 ( 8.429 2.740 6.424) 10.946 12.138 ( 2.730 3.756 1.027) 4.755 12.279 ( 0.617 -3.073 2.876) 4.254 12.348 ( -5.168 -2.747 -2.557) 6.387 12.690 ( 5.459 -5.743 6.237) 10.084 12.817 ( -7.233 -5.750 4.611) 10.327 12.896 ( 4.093 -9.191 -11.854) 15.548 12.979 ( -4.391 -8.702 -9.698) 13.750 13.623 ( 1.592 7.294 -2.023) 7.735 13.647 ( -0.691 6.515 -4.066) 7.711 14.054 ( 0.254 0.309 0.161) 0.431 14.068 ( -1.309 0.208 -1.245) 1.818 14.827 ( 2.904 -0.867 1.887) 3.570 14.838 ( 1.718 -0.080 0.338) 1.753 14.881 ( 1.215 0.611 2.362) 2.726 14.920 ( -1.685 -0.147 -0.515) 1.768 15.925 ( -0.391 7.802 -0.678) 7.841 15.962 ( -3.787 7.316 -3.890) 9.110 17.164 ( 5.337 -9.974 9.209) 14.586 17.228 ( -0.784 -10.632 3.510) 11.224 19.141 ( 0.641 0.869 1.354) 1.731 19.185 ( -3.804 0.340 -2.991) 4.851 19.303 ( -1.355 -1.646 -3.558) 4.148 19.366 ( -7.231 -2.655 -8.984) 11.835 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 0.000 13.156 1.092) 13.201 2.076 ( 0.000 11.793 3.908) 12.424 2.217 ( 0.000 4.576 6.223) 7.725 2.438 ( 0.000 -3.367 -2.641) 4.279 2.515 ( 0.000 1.577 1.082) 1.913 2.703 ( 0.000 -2.132 -5.526) 5.923 2.813 ( 0.000 3.587 3.121) 4.755 2.972 ( 0.000 -6.542 -9.993) 11.944 2.997 ( 0.000 -4.777 4.622) 6.647 3.142 ( 0.000 1.511 -7.327) 7.481 3.598 ( 0.000 -13.385 11.035) 17.347 3.825 ( 0.000 -15.729 -10.230) 18.763 4.823 ( 0.000 17.573 11.916) 21.232 5.084 ( 0.000 9.390 -12.089) 15.308 5.587 ( 0.000 -2.388 -0.963) 2.575 5.721 ( 0.000 -5.519 -12.642) 13.794 6.327 ( 0.000 11.448 27.232) 29.540 6.754 ( 0.000 -3.080 -6.084) 6.819 7.116 ( 0.000 19.420 22.331) 29.594 7.422 ( 0.000 20.780 -5.079) 21.391 7.442 ( 0.000 8.637 9.980) 13.198 7.813 ( 0.000 -4.243 -10.949) 11.742 8.007 ( 0.000 -9.033 8.543) 12.433 8.283 ( 0.000 -8.641 -12.096) 14.865 8.640 ( 0.000 0.734 -1.660) 1.816 8.648 ( 0.000 -1.733 -0.668) 1.857 9.025 ( 0.000 -5.012 -0.693) 5.060 9.087 ( 0.000 -3.447 -1.525) 3.769 9.583 ( 0.000 0.309 0.223) 0.380 9.688 ( 0.000 2.040 -8.059) 8.313 10.211 ( 0.000 0.811 1.574) 1.770 10.286 ( 0.000 -0.769 -5.002) 5.061 10.781 ( 0.000 1.319 6.805) 6.932 10.845 ( 0.000 -2.316 0.612) 2.396 11.013 ( 0.000 -2.799 6.982) 7.522 11.181 ( 0.000 -8.438 -7.618) 11.368 11.674 ( 0.000 12.116 0.691) 12.136 11.756 ( 0.000 13.144 -7.978) 15.375 12.249 ( 0.000 -11.342 2.191) 11.551 12.268 ( 0.000 -5.362 1.765) 5.645 12.803 ( 0.000 4.507 0.065) 4.508 12.884 ( 0.000 4.268 -7.645) 8.755 13.021 ( 0.000 -5.433 7.968) 9.644 13.230 ( 0.000 -8.594 -11.003) 13.962 13.600 ( 0.000 6.080 4.457) 7.538 13.699 ( 0.000 1.885 -4.580) 4.953 14.194 ( 0.000 4.709 4.475) 6.496 14.309 ( 0.000 0.455 -6.463) 6.479 14.660 ( 0.000 0.585 -0.199) 0.618 14.683 ( 0.000 -1.159 -2.203) 2.489 14.779 ( 0.000 3.799 2.771) 4.703 14.853 ( 0.000 0.923 -4.204) 4.304 16.016 ( 0.000 -3.897 1.942) 4.355 16.032 ( 0.000 -4.559 0.349) 4.572 16.949 ( 0.000 3.498 10.537) 11.103 17.083 ( 0.000 -2.167 -2.041) 2.976 19.323 ( 0.000 4.463 12.337) 13.120 19.543 ( 0.000 0.699 -8.897) 8.924 19.692 ( 0.000 -11.790 0.726) 11.812 19.699 ( 0.000 -6.156 -0.370) 6.167 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -0.825 13.446 3.530) 13.926 2.079 ( 0.357 15.664 0.007) 15.668 2.256 ( 3.593 4.427 5.394) 7.849 2.470 ( 1.383 1.070 -9.892) 10.045 2.498 ( 0.381 -3.592 9.880) 10.520 2.706 ( 0.111 -3.420 -6.650) 7.478 2.814 ( -0.086 -0.772 2.752) 2.860 2.909 ( -2.635 -8.252 -4.094) 9.581 3.098 ( 6.548 -2.007 0.764) 6.892 3.209 ( 6.199 3.118 -6.448) 9.473 3.623 ( 2.705 -12.946 8.996) 15.995 3.815 ( -0.899 -14.719 -8.836) 17.191 4.904 ( 8.077 17.364 11.430) 22.302 5.152 ( 6.767 9.238 -11.310) 16.095 5.683 ( 9.541 -2.069 -0.302) 9.767 5.810 ( 8.865 -5.341 -11.086) 15.166 6.257 ( -6.448 11.127 26.095) 29.092 6.668 ( -8.021 -1.601 -5.729) 9.986 7.096 ( -3.518 14.600 21.520) 26.242 7.313 ( -9.550 9.171 6.693) 14.836 7.421 ( -2.243 13.922 -3.253) 14.472 7.686 ( -12.451 -3.667 -18.234) 22.382 7.997 ( -2.273 -5.584 7.571) 9.678 8.217 ( -7.245 -8.865 -10.088) 15.260 8.658 ( 1.422 1.304 1.217) 2.281 8.708 ( 5.524 2.657 -2.157) 6.498 8.848 ( -8.357 2.688 5.571) 10.397 9.084 ( -4.306 -2.768 -13.126) 14.089 9.686 ( 6.291 2.864 3.132) 7.589 9.775 ( 4.173 1.061 -3.625) 5.628 10.094 ( -6.090 -7.480 4.397) 10.600 10.190 ( -2.290 -8.814 -4.082) 9.980 10.853 ( 1.988 5.414 5.535) 7.993 10.937 ( 5.875 7.374 -2.512) 9.758 11.122 ( 10.174 -6.856 8.161) 14.735 11.263 ( 7.560 -7.734 -5.046) 11.934 11.692 ( 1.851 10.999 0.751) 11.179 11.769 ( 2.191 12.048 -6.883) 14.047 12.244 ( 0.044 -9.714 3.875) 10.459 12.298 ( 2.418 -7.094 -0.741) 7.531 12.754 ( -4.572 4.209 0.096) 6.215 12.832 ( -5.002 3.400 -7.512) 9.644 12.992 ( -2.963 -5.833 6.763) 9.409 13.181 ( -4.908 -8.793 -10.376) 14.459 13.607 ( 1.070 5.822 3.409) 6.831 13.692 ( -0.290 2.176 -4.449) 4.961 14.175 ( -1.874 4.052 3.830) 5.882 14.273 ( -3.279 0.286 -5.500) 6.410 14.664 ( 0.826 0.743 0.710) 1.319 14.698 ( 1.156 -1.268 -2.013) 2.645 14.813 ( 2.986 3.980 1.710) 5.261 14.881 ( 2.436 1.374 -4.416) 5.227 16.044 ( 2.440 -3.321 1.728) 4.468 16.052 ( 2.052 -3.518 0.787) 4.148 16.931 ( -1.689 2.371 10.071) 10.483 17.058 ( -2.270 -2.964 -1.817) 4.152 19.305 ( -1.829 4.348 10.996) 11.965 19.504 ( -3.818 0.561 -8.387) 9.232 19.646 ( -4.998 -6.272 0.256) 8.024 19.662 ( -3.279 -10.558 -0.944) 11.095 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -3.256 18.474 3.672) 19.114 2.067 ( -2.174 20.272 -1.901) 20.476 2.336 ( 4.101 5.261 1.870) 6.927 2.457 ( -0.474 3.147 -5.723) 6.548 2.575 ( 5.449 -7.792 8.073) 12.473 2.714 ( 0.908 -6.131 -2.796) 6.799 2.814 ( 0.429 -5.714 1.139) 5.842 2.883 ( -0.045 -9.247 -4.563) 10.312 3.230 ( 6.091 2.418 3.200) 7.293 3.341 ( 6.147 3.307 -5.684) 9.002 3.713 ( 6.531 -13.765 3.724) 15.685 3.802 ( 0.275 -13.570 -4.482) 14.293 5.121 ( 13.354 16.970 10.289) 23.921 5.338 ( 11.710 9.019 -9.281) 17.453 5.933 ( 14.041 1.485 2.915) 14.417 6.041 ( 12.500 -2.771 -3.575) 13.293 6.121 ( -4.396 5.739 20.105) 21.365 6.482 ( -9.624 -0.287 -6.777) 11.774 6.920 ( -12.902 7.069 8.716) 17.100 7.142 ( -9.297 1.876 5.560) 10.994 7.286 ( -12.987 5.222 -3.932) 14.539 7.383 ( -15.629 -1.091 -19.214) 24.792 7.908 ( -5.846 1.517 -0.760) 6.088 8.005 ( -13.929 -4.580 -8.822) 17.112 8.659 ( -3.847 8.951 4.883) 10.898 8.737 ( -1.324 7.369 -2.849) 8.011 8.835 ( 5.567 5.289 8.425) 11.400 9.042 ( 1.968 4.197 -8.672) 9.833 9.724 ( 2.137 -7.290 1.405) 7.725 9.761 ( -3.776 -6.136 -1.735) 7.411 10.155 ( 9.007 -4.367 5.120) 11.243 10.253 ( 4.455 -7.017 -4.224) 9.323 10.863 ( -0.619 7.753 6.511) 10.143 10.971 ( -1.404 5.962 -3.137) 6.882 11.312 ( 7.537 -2.295 7.405) 10.813 11.404 ( 5.361 -4.015 -1.260) 6.815 11.768 ( 6.644 8.009 3.706) 11.046 11.873 ( 8.033 6.717 -6.096) 12.117 12.255 ( 1.076 -8.741 5.420) 10.341 12.351 ( 2.624 -7.243 -3.267) 8.368 12.648 ( -5.657 3.246 -0.538) 6.544 12.717 ( -5.752 0.627 -7.637) 9.581 12.911 ( -5.006 -6.963 4.004) 9.465 13.048 ( -8.176 -9.046 -8.610) 14.927 13.653 ( 3.574 5.495 1.185) 6.662 13.706 ( 1.897 3.004 -3.795) 5.198 14.129 ( -2.616 2.733 2.387) 4.473 14.196 ( -4.232 0.113 -4.045) 5.855 14.694 ( 2.200 0.634 1.494) 2.734 14.725 ( 1.758 -1.141 -1.270) 2.451 14.872 ( 2.566 3.567 0.761) 4.460 14.928 ( 1.997 1.427 -4.217) 4.879 16.084 ( 1.710 0.686 2.714) 3.280 16.113 ( 3.482 -0.259 0.059) 3.492 16.892 ( -1.979 -1.563 9.258) 9.596 17.009 ( -2.372 -6.195 -1.533) 6.808 19.255 ( -3.041 3.825 7.529) 8.976 19.403 ( -6.185 0.204 -6.989) 9.335 19.514 ( -8.043 -4.398 0.630) 9.188 19.567 ( -6.332 -9.083 -3.940) 11.752 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -3.975 24.461 3.154) 24.982 1.994 ( -4.679 25.506 -1.740) 25.990 2.405 ( 2.882 5.645 -1.239) 6.458 2.460 ( 0.493 3.767 -4.725) 6.063 2.692 ( 5.970 -9.563 7.619) 13.607 2.747 ( 2.361 -8.168 1.817) 8.695 2.834 ( 1.424 -6.891 0.726) 7.074 2.896 ( 0.883 -8.362 -4.228) 9.412 3.319 ( 3.230 5.199 2.836) 6.746 3.415 ( 1.111 5.002 -5.432) 7.467 3.840 ( 5.193 -16.827 2.351) 17.766 3.875 ( 7.485 -16.622 -0.347) 18.233 5.389 ( 12.973 16.431 9.533) 23.004 5.587 ( 12.771 9.842 -8.080) 18.034 5.962 ( -4.091 8.536 15.886) 18.493 6.193 ( 0.902 -1.712 8.271) 8.494 6.297 ( 9.736 1.765 2.720) 10.262 6.392 ( 4.117 -0.128 -10.308) 11.100 6.706 ( -6.934 -1.049 -5.675) 9.021 6.854 ( -18.459 -3.035 -13.578) 23.115 7.006 ( -11.126 3.383 -0.892) 11.663 7.138 ( -9.370 -1.283 -10.745) 14.315 7.693 ( -14.974 -0.604 0.536) 14.996 7.791 ( -8.380 -1.782 -7.456) 11.358 8.565 ( -3.815 19.640 7.310) 21.300 8.680 ( -4.664 17.640 -3.990) 18.678 8.976 ( 8.518 0.487 9.745) 12.953 9.135 ( 5.455 0.702 -5.191) 7.563 9.740 ( 2.163 -6.959 4.147) 8.385 9.824 ( 7.121 -8.408 -3.895) 11.686 10.254 ( -4.282 -1.535 0.019) 4.549 10.276 ( 0.884 -2.890 -1.918) 3.580 10.852 ( 0.638 10.494 6.508) 12.364 10.946 ( -0.240 8.855 -2.240) 9.137 11.414 ( 3.340 -4.276 6.322) 8.331 11.470 ( 1.757 -5.263 0.984) 5.635 11.937 ( 9.591 4.101 5.586) 11.832 12.043 ( 8.473 1.978 -4.386) 9.744 12.279 ( 0.879 -4.616 5.833) 7.490 12.378 ( -0.810 -4.842 -3.317) 5.924 12.555 ( -3.092 1.314 -0.349) 3.377 12.638 ( -1.789 -5.773 -8.038) 10.057 12.803 ( -6.136 -7.965 0.981) 10.102 12.889 ( -7.327 -9.524 -7.038) 13.926 13.732 ( 4.013 6.238 -0.677) 7.448 13.757 ( 2.926 4.705 -3.096) 6.347 14.078 ( -2.365 0.895 0.759) 2.640 14.115 ( -3.875 -0.362 -2.788) 4.787 14.750 ( 3.382 0.250 1.703) 3.794 14.772 ( 2.975 -0.828 -0.477) 3.124 14.902 ( 0.325 2.087 0.788) 2.255 14.946 ( -0.399 0.377 -2.986) 3.036 16.116 ( 1.787 7.778 3.367) 8.662 16.171 ( 2.086 6.643 -1.506) 7.124 16.866 ( -0.458 -8.749 8.837) 12.444 16.970 ( -1.832 -11.898 -0.677) 12.057 19.197 ( -2.581 2.802 3.346) 5.070 19.281 ( -5.669 0.126 -5.248) 7.726 19.357 ( -7.257 -2.626 -0.278) 7.722 19.426 ( -7.602 -6.333 -6.220) 11.687 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -1.202 29.288 1.825) 29.369 1.914 ( -2.830 29.569 -0.001) 29.704 2.449 ( 1.578 5.039 -2.768) 5.962 2.466 ( -0.160 4.481 -3.831) 5.897 2.777 ( 2.335 -9.380 6.511) 11.654 2.789 ( 1.198 -8.919 4.745) 10.173 2.868 ( 2.117 -7.194 -0.993) 7.564 2.900 ( -0.723 -7.814 -2.829) 8.342 3.369 ( 2.101 7.032 0.649) 7.368 3.405 ( -1.482 7.047 -2.581) 7.650 3.948 ( 4.852 -20.038 4.595) 21.123 3.982 ( 2.121 -20.584 1.885) 20.779 5.610 ( 9.533 15.738 6.103) 19.386 5.735 ( -1.098 17.317 -4.545) 17.937 5.969 ( 6.922 -4.593 7.007) 10.868 6.133 ( -6.356 -4.446 -2.175) 8.056 6.340 ( 2.791 7.787 -0.263) 8.276 6.467 ( -5.743 2.348 -4.392) 7.601 6.547 ( -3.493 1.706 -5.319) 6.588 6.609 ( -9.205 1.019 -8.316) 12.447 6.961 ( 7.817 1.868 -1.842) 8.246 7.090 ( 0.329 0.066 -12.092) 12.097 7.466 ( -4.444 -7.670 3.970) 9.713 7.588 ( -11.598 -8.908 -7.382) 16.381 8.536 ( 0.856 25.657 3.928) 25.970 8.588 ( -4.072 24.527 -0.949) 24.881 9.131 ( 6.406 -3.702 5.981) 9.514 9.198 ( 0.084 -3.787 -0.282) 3.799 9.835 ( 7.055 -0.063 5.166) 8.744 9.940 ( 1.107 -0.421 -3.819) 3.998 10.135 ( -2.752 -4.622 1.073) 5.485 10.213 ( -6.160 -5.287 -5.469) 9.788 10.900 ( 3.286 14.022 4.270) 15.021 10.944 ( -0.860 13.669 0.061) 13.696 11.460 ( 1.673 -9.344 4.651) 10.571 11.482 ( -0.406 -9.287 2.614) 9.656 12.117 ( 8.383 1.689 4.622) 9.721 12.189 ( 5.981 -1.157 -1.942) 6.394 12.256 ( -3.615 2.700 3.314) 5.598 12.310 ( -5.077 -1.163 -1.649) 5.463 12.554 ( 2.817 -4.892 1.258) 5.784 12.628 ( -2.338 -10.051 -1.782) 10.472 12.704 ( -0.609 -7.953 -5.080) 9.456 12.770 ( -5.081 -9.938 -7.655) 13.535 13.795 ( 2.074 7.970 -2.073) 8.492 13.803 ( 1.276 7.350 -2.804) 7.970 14.044 ( -0.905 -1.534 -0.439) 1.834 14.054 ( -2.044 -1.781 -1.479) 3.089 14.820 ( 3.454 0.119 1.311) 3.696 14.836 ( 3.169 -0.195 -0.276) 3.187 14.886 ( -1.542 0.198 1.221) 1.977 14.913 ( -2.762 -0.603 -1.021) 3.006 16.156 ( 2.114 13.555 1.502) 13.801 16.186 ( -0.554 13.386 -1.159) 13.447 16.881 ( 1.959 -15.718 6.871) 17.265 16.929 ( -2.471 -16.567 2.567) 16.946 19.168 ( -0.126 1.687 -0.119) 1.696 19.196 ( -2.950 0.775 -3.039) 4.306 19.260 ( -1.771 -2.181 -3.272) 4.312 19.296 ( -4.920 -3.613 -6.151) 8.666 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 -1.804 11.174) 11.319 2.225 ( 0.000 1.804 11.174) 11.319 2.351 ( 0.000 -3.674 3.077) 4.792 2.351 ( 0.000 3.674 3.077) 4.792 2.612 ( 0.000 -5.428 -8.641) 10.204 2.612 ( 0.000 5.428 -8.641) 10.204 2.786 ( 0.000 -3.178 -9.952) 10.447 2.786 ( 0.000 3.178 -9.952) 10.447 3.122 ( 0.000 -8.978 7.964) 12.001 3.122 ( 0.000 8.978 7.964) 12.001 3.533 ( 0.000 -9.500 -6.550) 11.539 3.533 ( 0.000 9.500 -6.550) 11.539 5.108 ( 0.000 -7.623 3.339) 8.322 5.108 ( 0.000 7.623 3.339) 8.322 5.609 ( 0.000 -4.389 -9.919) 10.847 5.609 ( 0.000 4.389 -9.919) 10.847 6.577 ( 0.000 -11.264 17.627) 20.918 6.577 ( 0.000 11.264 17.627) 20.918 7.575 ( 0.000 -19.098 8.116) 20.751 7.575 ( 0.000 19.098 8.116) 20.751 7.607 ( 0.000 -5.859 0.040) 5.859 7.607 ( 0.000 5.859 0.040) 5.859 8.025 ( 0.000 -13.895 -4.813) 14.705 8.025 ( 0.000 13.895 -4.813) 14.705 8.653 ( 0.000 -0.442 -1.840) 1.893 8.653 ( 0.000 0.442 -1.840) 1.893 8.980 ( 0.000 -2.383 -6.305) 6.740 8.980 ( 0.000 2.383 -6.305) 6.740 9.669 ( 0.000 -4.147 -0.296) 4.158 9.669 ( 0.000 4.147 -0.296) 4.158 10.238 ( 0.000 -2.410 -2.531) 3.494 10.238 ( 0.000 2.410 -2.531) 3.494 10.813 ( 0.000 -1.168 5.085) 5.217 10.813 ( 0.000 1.168 5.085) 5.217 11.030 ( 0.000 -4.710 -2.154) 5.179 11.030 ( 0.000 4.710 -2.154) 5.179 11.926 ( 0.000 -7.611 -0.260) 7.616 11.926 ( 0.000 7.611 -0.260) 7.616 12.095 ( 0.000 -6.625 -3.281) 7.393 12.095 ( 0.000 6.625 -3.281) 7.393 12.901 ( 0.000 -4.647 4.767) 6.657 12.901 ( 0.000 4.647 4.767) 6.657 13.042 ( 0.000 -8.484 -7.864) 11.568 13.042 ( 0.000 8.484 -7.864) 11.568 13.694 ( 0.000 -2.448 0.178) 2.454 13.694 ( 0.000 2.448 0.178) 2.454 14.282 ( 0.000 -3.015 -0.930) 3.155 14.282 ( 0.000 3.015 -0.930) 3.155 14.668 ( 0.000 -0.365 -1.448) 1.493 14.668 ( 0.000 0.365 -1.448) 1.493 14.846 ( 0.000 -1.908 -0.988) 2.148 14.846 ( 0.000 1.908 -0.988) 2.148 15.972 ( 0.000 -0.382 0.995) 1.066 15.972 ( 0.000 0.382 0.995) 1.066 17.024 ( 0.000 -3.332 4.435) 5.547 17.024 ( 0.000 3.332 4.435) 5.547 19.465 ( 0.000 -8.970 6.938) 11.341 19.465 ( 0.000 8.970 6.938) 11.341 19.589 ( 0.000 -3.785 -5.104) 6.354 19.589 ( 0.000 3.785 -5.104) 6.354 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 2.810 -3.251 11.623) 12.392 2.256 ( 2.810 3.251 11.623) 12.392 2.389 ( 3.452 -3.303 2.972) 5.627 2.389 ( 3.452 3.303 2.972) 5.627 2.591 ( -1.917 -6.514 -7.868) 10.393 2.591 ( -1.917 6.514 -7.868) 10.393 2.742 ( -3.360 -1.505 -9.629) 10.309 2.742 ( -3.360 1.505 -9.629) 10.309 3.198 ( 6.696 -7.319 6.184) 11.689 3.198 ( 6.696 7.319 6.184) 11.689 3.551 ( 1.595 -8.172 -5.987) 10.256 3.551 ( 1.595 8.172 -5.987) 10.256 5.179 ( 7.140 -7.041 3.207) 10.528 5.179 ( 7.140 7.041 3.207) 10.528 5.705 ( 9.632 -3.988 -8.484) 13.441 5.705 ( 9.632 3.988 -8.484) 13.441 6.506 ( -6.685 -11.236 16.920) 21.383 6.506 ( -6.685 11.236 16.920) 21.383 7.396 ( -13.683 -6.331 3.403) 15.456 7.396 ( -13.683 6.331 3.403) 15.456 7.578 ( -6.669 -5.237 -2.852) 8.946 7.578 ( -6.669 5.237 -2.852) 8.946 8.018 ( -1.416 -8.667 -2.927) 9.257 8.018 ( -1.416 8.667 -2.927) 9.257 8.720 ( 5.113 -3.352 3.432) 7.011 8.720 ( 5.113 3.352 3.432) 7.011 8.930 ( -1.244 -8.048 -9.117) 12.225 8.930 ( -1.244 8.048 -9.117) 12.225 9.831 ( 10.750 -6.362 2.133) 12.672 9.831 ( 10.750 6.362 2.133) 12.672 9.983 ( -15.249 -6.760 -2.900) 16.930 9.983 ( -15.249 6.760 -2.900) 16.930 10.974 ( 3.678 -5.528 6.293) 9.149 10.974 ( 3.678 5.528 6.293) 9.149 11.106 ( 12.357 -6.832 -2.860) 14.407 11.106 ( 12.357 6.832 -2.860) 14.407 11.928 ( 0.376 -7.364 0.121) 7.375 11.928 ( 0.376 7.364 0.121) 7.375 12.106 ( 1.183 -7.248 -3.749) 8.245 12.106 ( 1.183 7.248 -3.749) 8.245 12.851 ( -4.759 -4.606 3.962) 7.717 12.851 ( -4.759 4.606 3.962) 7.717 12.993 ( -4.813 -8.020 -7.212) 11.811 12.993 ( -4.813 8.020 -7.212) 11.811 13.694 ( 0.458 -2.103 -0.319) 2.176 13.694 ( 0.458 2.103 -0.319) 2.176 14.249 ( -3.014 -2.556 -0.882) 4.049 14.249 ( -3.014 2.556 -0.882) 4.049 14.678 ( 1.037 -0.683 -0.926) 1.549 14.678 ( 1.037 0.683 -0.926) 1.549 14.880 ( 2.856 -1.744 -1.495) 3.665 14.880 ( 2.856 1.744 -1.495) 3.665 16.006 ( 3.399 -0.256 1.263) 3.635 16.006 ( 3.399 0.256 1.263) 3.635 16.992 ( -3.212 -3.178 4.244) 6.199 16.992 ( -3.212 3.178 4.244) 6.199 19.441 ( -2.478 -8.485 5.383) 10.350 19.441 ( -2.478 8.485 5.383) 10.350 19.548 ( -3.974 -3.355 -4.470) 6.857 19.548 ( -3.974 3.355 -4.470) 6.857 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 2.400 -7.449 11.289) 13.737 2.312 ( 2.400 7.449 11.289) 13.737 2.467 ( 3.747 -6.499 1.622) 7.675 2.467 ( 3.747 6.499 1.622) 7.675 2.551 ( -1.430 -6.543 -4.489) 8.063 2.551 ( -1.430 6.543 -4.489) 8.063 2.697 ( -0.571 -2.125 -9.199) 9.459 2.697 ( -0.571 2.125 -9.199) 9.459 3.344 ( 7.516 -5.985 3.671) 10.285 3.344 ( 7.516 5.985 3.671) 10.285 3.586 ( 1.829 -4.980 -4.576) 7.006 3.586 ( 1.829 4.980 -4.576) 7.006 5.373 ( 12.047 -5.659 3.401) 13.738 5.373 ( 12.047 5.659 3.401) 13.738 5.967 ( 16.074 -2.723 -3.522) 16.679 5.967 ( 16.074 2.723 -3.522) 16.679 6.348 ( -8.266 -11.093 11.864) 18.225 6.348 ( -8.266 11.093 11.864) 18.225 7.086 ( -17.254 -6.474 -1.457) 18.486 7.086 ( -17.254 6.474 -1.457) 18.486 7.359 ( -14.341 -1.996 -9.160) 17.133 7.359 ( -14.341 1.996 -9.160) 17.133 7.937 ( -7.604 -1.849 -2.615) 8.251 7.937 ( -7.604 1.849 -2.615) 8.251 8.793 ( 3.137 -3.448 8.272) 9.495 8.793 ( 3.137 3.448 8.272) 9.495 8.999 ( 5.597 -8.431 -7.494) 12.592 8.999 ( 5.597 8.431 -7.494) 12.592 9.670 ( -8.096 -2.231 1.165) 8.478 9.670 ( -8.096 2.231 1.165) 8.478 10.128 ( 11.438 -3.128 -1.503) 11.953 10.128 ( 11.438 3.128 -1.503) 11.953 10.976 ( -0.849 -3.300 3.862) 5.150 10.976 ( -0.849 3.300 3.862) 5.150 11.345 ( 8.488 -2.734 2.050) 9.150 11.345 ( 8.488 2.734 2.050) 9.150 11.953 ( 2.632 -6.787 1.244) 7.385 11.953 ( 2.632 6.787 1.244) 7.385 12.148 ( 3.257 -7.392 -4.047) 9.035 12.148 ( 3.257 7.392 -4.047) 9.035 12.740 ( -5.885 -4.295 1.204) 7.384 12.740 ( -5.885 4.295 1.204) 7.384 12.863 ( -8.033 -6.821 -5.643) 11.954 12.863 ( -8.033 6.821 -5.643) 11.954 13.728 ( 3.141 -1.241 -1.095) 3.550 13.728 ( 3.141 1.241 -1.095) 3.550 14.178 ( -3.955 -1.755 -0.959) 4.432 14.178 ( -3.955 1.755 -0.959) 4.432 14.708 ( 1.983 -0.644 -0.166) 2.091 14.708 ( 1.983 0.644 -0.166) 2.091 14.929 ( 1.696 -1.461 -1.816) 2.883 14.929 ( 1.696 1.461 -1.816) 2.883 16.102 ( 6.236 -0.813 1.884) 6.565 16.102 ( 6.236 0.813 1.884) 6.565 16.905 ( -5.533 -3.011 3.624) 7.267 16.905 ( -5.533 3.011 3.624) 7.267 19.368 ( -4.817 -6.264 1.551) 8.053 19.368 ( -4.817 6.264 1.551) 8.053 19.446 ( -6.054 -1.789 -2.929) 6.959 19.446 ( -6.054 1.789 -2.929) 6.959 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 1.605 -9.703 7.522) 12.382 2.348 ( 1.605 9.703 7.522) 12.382 2.469 ( -2.126 -9.519 -0.407) 9.762 2.469 ( -2.126 9.519 -0.407) 9.762 2.600 ( 4.889 -4.322 -0.328) 6.534 2.600 ( 4.889 4.322 -0.329) 6.534 2.712 ( 1.251 -4.023 -5.376) 6.830 2.712 ( 1.251 4.023 -5.376) 6.830 3.477 ( 5.993 -6.764 2.076) 9.272 3.477 ( 5.993 6.764 2.076) 9.272 3.618 ( 1.332 -4.694 -2.589) 5.524 3.618 ( 1.332 4.694 -2.589) 5.524 5.618 ( 12.052 -4.959 5.104) 13.996 5.618 ( 12.052 4.959 5.104) 13.996 6.138 ( -4.164 -5.146 7.807) 10.236 6.138 ( -4.164 5.146 7.807) 10.236 6.366 ( 14.013 -5.743 -5.082) 15.974 6.366 ( 14.013 5.743 -5.082) 15.974 6.752 ( -15.381 -5.303 -5.292) 17.109 6.752 ( -15.381 5.303 -5.292) 17.109 7.087 ( -11.156 -3.516 -9.948) 15.356 7.087 ( -11.156 3.516 -9.948) 15.356 7.715 ( -14.637 -3.231 -2.567) 15.208 7.715 ( -14.637 3.231 -2.567) 15.208 8.869 ( 4.455 -6.100 7.866) 10.906 8.869 ( 4.455 6.100 7.866) 10.906 9.053 ( -0.179 -9.116 -2.117) 9.360 9.053 ( -0.179 9.116 -2.117) 9.360 9.676 ( 7.454 -2.945 -0.752) 8.050 9.676 ( 7.454 2.945 -0.752) 8.050 10.241 ( -0.979 -0.438 -1.597) 1.923 10.241 ( -0.979 0.438 -1.597) 1.923 11.000 ( 4.438 -3.087 3.583) 6.486 11.000 ( 4.438 3.087 3.583) 6.486 11.407 ( -1.682 -1.822 3.813) 4.549 11.407 ( -1.682 1.822 3.813) 4.549 12.038 ( 5.827 -4.507 1.902) 7.609 12.038 ( 5.827 4.507 1.902) 7.609 12.227 ( 4.159 -5.097 -2.940) 7.206 12.227 ( 4.159 5.097 -2.940) 7.206 12.635 ( -4.924 -4.514 -1.067) 6.765 12.635 ( -4.924 4.514 -1.067) 6.765 12.701 ( -7.731 -6.347 -4.902) 11.139 12.701 ( -7.731 6.347 -4.902) 11.139 13.810 ( 4.852 -0.489 -1.505) 5.104 13.810 ( 4.852 0.489 -1.505) 5.104 14.097 ( -4.361 -1.022 -1.280) 4.659 14.097 ( -4.361 1.022 -1.280) 4.659 14.758 ( 3.184 -0.510 0.381) 3.247 14.758 ( 3.184 0.510 0.381) 3.247 14.937 ( -0.949 -1.147 -1.305) 1.980 14.937 ( -0.949 1.147 -1.305) 1.980 16.247 ( 8.539 -1.992 2.462) 9.107 16.247 ( 8.539 1.992 2.462) 9.107 16.778 ( -7.371 -3.275 2.870) 8.561 16.778 ( -7.371 3.275 2.870) 8.561 19.269 ( -4.654 -3.013 -1.596) 5.769 19.269 ( -4.654 3.013 -1.596) 5.769 19.326 ( -5.889 -1.427 -2.450) 6.536 19.326 ( -5.889 1.427 -2.450) 6.536 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 2.124 -9.129 4.105) 10.232 2.385 ( 2.124 9.129 4.105) 10.232 2.427 ( -2.151 -8.450 1.569) 8.859 2.427 ( -2.151 8.450 1.569) 8.859 2.684 ( 3.269 -3.847 -0.666) 5.092 2.684 ( 3.269 3.847 -0.666) 5.092 2.722 ( -0.562 -4.292 -2.253) 4.880 2.722 ( -0.562 4.292 -2.253) 4.880 3.577 ( 4.015 -8.544 1.543) 9.566 3.577 ( 4.015 8.544 1.543) 9.566 3.626 ( -0.908 -8.273 -0.071) 8.323 3.626 ( -0.908 8.273 -0.071) 8.323 5.829 ( 9.872 -5.957 4.057) 12.223 5.829 ( 9.872 5.957 4.057) 12.223 6.016 ( -8.363 -6.911 -2.001) 11.032 6.016 ( -8.363 6.911 -2.001) 11.032 6.509 ( 0.877 -5.740 -1.486) 5.994 6.509 ( 0.877 5.740 -1.486) 5.994 6.581 ( -4.160 -4.635 -5.955) 8.617 6.581 ( -4.160 4.635 -5.955) 8.617 7.067 ( 11.444 -5.730 -6.515) 14.361 7.067 ( 11.444 5.730 -6.515) 14.361 7.388 ( -17.996 -5.647 -3.210) 19.132 7.388 ( -17.996 5.647 -3.210) 19.132 8.955 ( 4.060 -10.199 5.205) 12.149 8.955 ( 4.060 10.199 5.205) 12.149 9.021 ( -2.630 -11.237 1.472) 11.634 9.021 ( -2.630 11.237 1.472) 11.634 9.883 ( 12.168 -4.211 -1.405) 12.952 9.883 ( 12.168 4.211 -1.405) 12.952 10.113 ( -10.468 -3.046 -1.538) 11.010 10.113 ( -10.468 3.046 -1.538) 11.010 11.142 ( 8.952 -2.923 3.513) 10.051 11.142 ( 8.952 2.923 3.513) 10.051 11.310 ( -7.459 -2.174 3.946) 8.714 11.310 ( -7.459 2.174 3.946) 8.714 12.167 ( 6.775 -2.319 1.306) 7.279 12.167 ( 6.775 2.319 1.306) 7.279 12.264 ( -1.723 -1.147 -0.659) 2.172 12.264 ( -1.723 1.147 -0.659) 2.172 12.559 ( -1.555 -4.562 -2.305) 5.343 12.559 ( -1.555 4.562 -2.305) 5.343 12.588 ( -3.805 -6.393 -4.808) 8.858 12.588 ( -3.805 6.393 -4.808) 8.858 13.909 ( 5.132 -0.007 -1.663) 5.394 13.909 ( 5.132 0.007 -1.663) 5.394 14.007 ( -4.841 -0.434 -1.592) 5.114 14.007 ( -4.841 0.434 -1.592) 5.114 14.828 ( 3.768 -0.516 0.372) 3.821 14.828 ( 3.768 0.516 0.372) 3.821 14.897 ( -2.987 -0.769 -0.340) 3.103 14.897 ( -2.987 0.769 -0.340) 3.103 16.429 ( 9.740 -3.069 2.647) 10.549 16.429 ( 9.740 3.069 2.647) 10.549 16.616 ( -9.102 -3.529 2.579) 10.097 16.616 ( -9.102 3.529 2.579) 10.097 19.209 ( -1.106 -1.409 -2.891) 3.401 19.209 ( -1.106 1.409 -2.891) 3.401 19.232 ( -3.314 -1.503 -3.035) 4.739 19.232 ( -3.314 1.503 -3.035) 4.739 =================== 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 1107.442 1173.274 1526.863 0.000 0.000 -0.000 3/29160 20.0 128.882 130.146 137.684 0.000 0.000 0.000 3/29160 30.0 57.175 53.674 55.157 0.000 0.000 0.000 3/29160 40.0 34.007 30.979 31.581 0.000 0.000 0.000 3/29160 50.0 23.389 20.992 21.360 0.000 0.000 0.000 3/29160 60.0 17.538 15.627 15.904 0.000 0.000 0.000 3/29160 70.0 13.920 12.364 12.600 0.000 0.000 0.000 3/29160 80.0 11.496 10.204 10.418 0.000 0.000 0.000 3/29160 90.0 9.774 8.684 8.882 0.000 0.000 0.000 3/29160 100.0 8.495 7.562 7.747 0.000 0.000 0.000 3/29160 110.0 7.509 6.704 6.876 0.000 0.000 0.000 3/29160 120.0 6.729 6.027 6.187 0.000 0.000 0.000 3/29160 130.0 6.097 5.481 5.628 0.000 0.000 0.000 3/29160 140.0 5.575 5.030 5.166 0.000 0.000 0.000 3/29160 150.0 5.137 4.653 4.778 0.000 0.000 0.000 3/29160 160.0 4.764 4.331 4.447 0.000 0.000 0.000 3/29160 170.0 4.443 4.054 4.161 0.000 0.000 0.000 3/29160 180.0 4.164 3.813 3.912 0.000 0.000 0.000 3/29160 190.0 3.919 3.601 3.692 0.000 0.000 0.000 3/29160 200.0 3.702 3.412 3.497 0.000 0.000 0.000 3/29160 210.0 3.509 3.244 3.323 0.000 0.000 0.000 3/29160 220.0 3.335 3.093 3.166 0.000 0.000 0.000 3/29160 230.0 3.179 2.955 3.024 0.000 0.000 0.000 3/29160 240.0 3.037 2.831 2.895 0.000 0.000 0.000 3/29160 250.0 2.908 2.716 2.776 0.000 0.000 0.000 3/29160 260.0 2.789 2.611 2.668 0.000 0.000 0.000 3/29160 270.0 2.680 2.515 2.568 0.000 0.000 0.000 3/29160 280.0 2.580 2.425 2.475 0.000 0.000 0.000 3/29160 290.0 2.487 2.342 2.389 0.000 0.000 0.000 3/29160 300.0 2.400 2.265 2.309 0.000 0.000 0.000 3/29160 310.0 2.320 2.192 2.235 0.000 0.000 0.000 3/29160 320.0 2.245 2.124 2.165 0.000 0.000 0.000 3/29160 330.0 2.175 2.061 2.099 0.000 0.000 0.000 3/29160 340.0 2.109 2.001 2.038 0.000 0.000 0.000 3/29160 350.0 2.047 1.945 1.980 0.000 0.000 0.000 3/29160 360.0 1.989 1.892 1.925 0.000 0.000 0.000 3/29160 370.0 1.934 1.841 1.873 0.000 0.000 0.000 3/29160 380.0 1.882 1.794 1.824 0.000 0.000 0.000 3/29160 390.0 1.833 1.748 1.778 0.000 0.000 0.000 3/29160 400.0 1.786 1.705 1.734 0.000 0.000 0.000 3/29160 410.0 1.742 1.665 1.692 0.000 0.000 0.000 3/29160 420.0 1.699 1.626 1.652 0.000 0.000 0.000 3/29160 430.0 1.659 1.588 1.614 0.000 0.000 0.000 3/29160 440.0 1.621 1.553 1.577 0.000 0.000 0.000 3/29160 450.0 1.585 1.519 1.543 0.000 0.000 0.000 3/29160 460.0 1.550 1.486 1.509 0.000 0.000 0.000 3/29160 470.0 1.516 1.455 1.477 0.000 0.000 0.000 3/29160 480.0 1.484 1.426 1.447 0.000 0.000 0.000 3/29160 490.0 1.454 1.397 1.418 0.000 0.000 0.000 3/29160 500.0 1.424 1.369 1.389 0.000 0.000 0.000 3/29160 510.0 1.396 1.343 1.362 0.000 0.000 0.000 3/29160 520.0 1.369 1.318 1.336 0.000 0.000 0.000 3/29160 530.0 1.343 1.293 1.311 0.000 0.000 0.000 3/29160 540.0 1.318 1.269 1.287 0.000 0.000 0.000 3/29160 550.0 1.294 1.247 1.264 0.000 0.000 0.000 3/29160 560.0 1.271 1.225 1.242 0.000 0.000 0.000 3/29160 570.0 1.248 1.204 1.220 0.000 0.000 0.000 3/29160 580.0 1.226 1.183 1.199 0.000 0.000 0.000 3/29160 590.0 1.206 1.163 1.179 0.000 0.000 0.000 3/29160 600.0 1.185 1.144 1.160 0.000 0.000 0.000 3/29160 610.0 1.166 1.126 1.141 0.000 0.000 0.000 3/29160 620.0 1.147 1.108 1.122 0.000 0.000 0.000 3/29160 630.0 1.129 1.090 1.105 0.000 0.000 0.000 3/29160 640.0 1.111 1.074 1.088 0.000 0.000 0.000 3/29160 650.0 1.094 1.057 1.071 0.000 0.000 0.000 3/29160 660.0 1.077 1.041 1.055 0.000 0.000 0.000 3/29160 670.0 1.061 1.026 1.039 0.000 0.000 0.000 3/29160 680.0 1.045 1.011 1.024 0.000 0.000 0.000 3/29160 690.0 1.030 0.997 1.009 0.000 0.000 0.000 3/29160 700.0 1.015 0.983 0.995 0.000 0.000 0.000 3/29160 710.0 1.001 0.969 0.981 0.000 0.000 0.000 3/29160 720.0 0.987 0.956 0.968 0.000 0.000 0.000 3/29160 730.0 0.973 0.943 0.954 0.000 0.000 0.000 3/29160 740.0 0.960 0.930 0.942 0.000 0.000 0.000 3/29160 750.0 0.947 0.918 0.929 0.000 0.000 0.000 3/29160 760.0 0.935 0.906 0.917 0.000 0.000 0.000 3/29160 770.0 0.923 0.894 0.905 0.000 0.000 0.000 3/29160 780.0 0.911 0.883 0.894 0.000 0.000 0.000 3/29160 790.0 0.899 0.872 0.882 0.000 0.000 0.000 3/29160 800.0 0.888 0.861 0.871 0.000 0.000 0.000 3/29160 810.0 0.877 0.850 0.861 0.000 0.000 0.000 3/29160 820.0 0.866 0.840 0.850 0.000 0.000 0.000 3/29160 830.0 0.856 0.830 0.840 0.000 0.000 0.000 3/29160 840.0 0.846 0.820 0.830 0.000 0.000 0.000 3/29160 850.0 0.836 0.811 0.820 0.000 0.000 0.000 3/29160 860.0 0.826 0.801 0.811 0.000 0.000 0.000 3/29160 870.0 0.816 0.792 0.802 0.000 0.000 0.000 3/29160 880.0 0.807 0.783 0.792 0.000 0.000 0.000 3/29160 890.0 0.798 0.775 0.784 0.000 0.000 0.000 3/29160 900.0 0.789 0.766 0.775 0.000 0.000 0.000 3/29160 910.0 0.780 0.758 0.766 0.000 0.000 0.000 3/29160 920.0 0.772 0.749 0.758 0.000 0.000 0.000 3/29160 930.0 0.764 0.741 0.750 0.000 0.000 0.000 3/29160 940.0 0.755 0.734 0.742 0.000 0.000 0.000 3/29160 950.0 0.748 0.726 0.734 0.000 0.000 0.000 3/29160 960.0 0.740 0.718 0.727 0.000 0.000 0.000 3/29160 970.0 0.732 0.711 0.719 0.000 0.000 0.000 3/29160 980.0 0.725 0.704 0.712 0.000 0.000 0.000 3/29160 990.0 0.717 0.697 0.705 0.000 0.000 0.000 3/29160 1000.0 0.710 0.690 0.698 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 2026-01-08 09:04:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|