----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:32:49]------------------------- 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 5.701638910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918054760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.520625920000000 Atomic positions (fractional): *1 Ca 0.44943956131479 0.75000000000000 0.01328223643169 40.078 2 Ca 0.94943956131479 0.75000000000000 0.48671776356831 40.078 3 Ca 0.05056043868521 0.25000000000000 0.51328223643169 40.078 4 Ca 0.55056043868521 0.25000000000000 0.98671776356831 40.078 *5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 7 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 8 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 *9 O 0.96156277858781 0.25000000000000 0.10462571678387 15.999 *10 O 0.70132854320222 0.55549272258652 0.19878727874115 15.999 11 O 0.70132854320222 0.94450727741348 0.19878727874115 15.999 12 O 0.20132854320222 0.55549272258652 0.30121272125885 15.999 13 O 0.20132854320222 0.94450727741348 0.30121272125885 15.999 14 O 0.46156277858781 0.25000000000000 0.39537428321613 15.999 15 O 0.53843722141219 0.75000000000000 0.60462571678387 15.999 16 O 0.79867145679778 0.05549272258652 0.69878727874115 15.999 17 O 0.79867145679778 0.44450727741348 0.69878727874115 15.999 18 O 0.29867145679778 0.05549272258652 0.80121272125885 15.999 19 O 0.29867145679778 0.44450727741348 0.80121272125885 15.999 20 O 0.03843722141219 0.75000000000000 0.89537428321613 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.701638910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918054760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.520625920000000 Atomic positions (fractional): *1 Ca 0.44943956131479 0.75000000000000 0.01328223643169 40.078 > 1 2 Ca 0.94943956131479 0.75000000000000 0.48671776356831 40.078 > 2 3 Ca 0.05056043868521 0.25000000000000 0.51328223643169 40.078 > 3 4 Ca 0.55056043868521 0.25000000000000 0.98671776356831 40.078 > 4 *5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 6 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 6 7 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 7 8 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 8 *9 O 0.96156277858781 0.25000000000000 0.10462571678387 15.999 > 9 *10 O 0.70132854320222 0.55549272258652 0.19878727874115 15.999 > 10 11 O 0.70132854320222 0.94450727741348 0.19878727874115 15.999 > 11 12 O 0.20132854320222 0.55549272258652 0.30121272125885 15.999 > 12 13 O 0.20132854320222 0.94450727741348 0.30121272125885 15.999 > 13 14 O 0.46156277858781 0.25000000000000 0.39537428321613 15.999 > 14 15 O 0.53843722141219 0.75000000000000 0.60462571678387 15.999 > 15 16 O 0.79867145679778 0.05549272258652 0.69878727874115 15.999 > 16 17 O 0.79867145679778 0.44450727741348 0.69878727874115 15.999 > 17 18 O 0.29867145679778 0.05549272258652 0.80121272125885 15.999 > 18 19 O 0.29867145679778 0.44450727741348 0.80121272125885 15.999 > 19 20 O 0.03843722141219 0.75000000000000 0.89537428321613 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.403277820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918054760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.041251839999999 Atomic positions (fractional): *1 Ca 0.22471978065739 0.75000000000000 0.00664111821584 40.078 > 1 2 Ca 0.72471978065739 0.75000000000000 0.00664111821584 40.078 > 1 3 Ca 0.22471978065739 0.75000000000000 0.50664111821584 40.078 > 1 4 Ca 0.72471978065739 0.75000000000000 0.50664111821584 40.078 > 1 5 Ca 0.47471978065739 0.75000000000000 0.24335888178416 40.078 > 2 6 Ca 0.97471978065739 0.75000000000000 0.24335888178416 40.078 > 2 7 Ca 0.47471978065739 0.75000000000000 0.74335888178416 40.078 > 2 8 Ca 0.97471978065739 0.75000000000000 0.74335888178416 40.078 > 2 9 Ca 0.02528021934261 0.25000000000000 0.25664111821584 40.078 > 3 10 Ca 0.52528021934261 0.25000000000000 0.25664111821584 40.078 > 3 11 Ca 0.02528021934261 0.25000000000000 0.75664111821584 40.078 > 3 12 Ca 0.52528021934261 0.25000000000000 0.75664111821584 40.078 > 3 13 Ca 0.27528021934261 0.25000000000000 0.49335888178416 40.078 > 4 14 Ca 0.77528021934261 0.25000000000000 0.49335888178416 40.078 > 4 15 Ca 0.27528021934261 0.25000000000000 0.99335888178416 40.078 > 4 16 Ca 0.77528021934261 0.25000000000000 0.99335888178416 40.078 > 4 *17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 5 18 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 5 19 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 5 20 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 5 21 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 6 22 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 6 23 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 6 24 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 6 25 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 7 26 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 7 27 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 7 28 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 7 29 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 8 30 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 8 31 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 8 32 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 8 *33 O 0.48078138929391 0.25000000000000 0.05231285839194 15.999 > 9 34 O 0.98078138929391 0.25000000000000 0.05231285839194 15.999 > 9 35 O 0.48078138929391 0.25000000000000 0.55231285839194 15.999 > 9 36 O 0.98078138929391 0.25000000000000 0.55231285839194 15.999 > 9 *37 O 0.35066427160111 0.55549272258652 0.09939363937057 15.999 > 10 38 O 0.85066427160111 0.55549272258652 0.09939363937057 15.999 > 10 39 O 0.35066427160111 0.55549272258652 0.59939363937057 15.999 > 10 40 O 0.85066427160111 0.55549272258652 0.59939363937057 15.999 > 10 41 O 0.35066427160111 0.94450727741348 0.09939363937057 15.999 > 11 42 O 0.85066427160111 0.94450727741348 0.09939363937057 15.999 > 11 43 O 0.35066427160111 0.94450727741348 0.59939363937057 15.999 > 11 44 O 0.85066427160111 0.94450727741348 0.59939363937057 15.999 > 11 45 O 0.10066427160111 0.55549272258652 0.15060636062943 15.999 > 12 46 O 0.60066427160111 0.55549272258652 0.15060636062943 15.999 > 12 47 O 0.10066427160111 0.55549272258652 0.65060636062943 15.999 > 12 48 O 0.60066427160111 0.55549272258652 0.65060636062943 15.999 > 12 49 O 0.10066427160111 0.94450727741348 0.15060636062943 15.999 > 13 50 O 0.60066427160111 0.94450727741348 0.15060636062943 15.999 > 13 51 O 0.10066427160111 0.94450727741348 0.65060636062943 15.999 > 13 52 O 0.60066427160111 0.94450727741348 0.65060636062943 15.999 > 13 53 O 0.23078138929391 0.25000000000000 0.19768714160806 15.999 > 14 54 O 0.73078138929391 0.25000000000000 0.19768714160806 15.999 > 14 55 O 0.23078138929391 0.25000000000000 0.69768714160806 15.999 > 14 56 O 0.73078138929391 0.25000000000000 0.69768714160806 15.999 > 14 57 O 0.26921861070609 0.75000000000000 0.30231285839194 15.999 > 15 58 O 0.76921861070609 0.75000000000000 0.30231285839194 15.999 > 15 59 O 0.26921861070609 0.75000000000000 0.80231285839194 15.999 > 15 60 O 0.76921861070609 0.75000000000000 0.80231285839194 15.999 > 15 61 O 0.39933572839889 0.05549272258652 0.34939363937057 15.999 > 16 62 O 0.89933572839889 0.05549272258652 0.34939363937057 15.999 > 16 63 O 0.39933572839889 0.05549272258652 0.84939363937057 15.999 > 16 64 O 0.89933572839889 0.05549272258652 0.84939363937057 15.999 > 16 65 O 0.39933572839889 0.44450727741348 0.34939363937057 15.999 > 17 66 O 0.89933572839889 0.44450727741348 0.34939363937057 15.999 > 17 67 O 0.39933572839889 0.44450727741348 0.84939363937057 15.999 > 17 68 O 0.89933572839889 0.44450727741348 0.84939363937057 15.999 > 17 69 O 0.14933572839889 0.05549272258652 0.40060636062943 15.999 > 18 70 O 0.64933572839889 0.05549272258652 0.40060636062943 15.999 > 18 71 O 0.14933572839889 0.05549272258652 0.90060636062943 15.999 > 18 72 O 0.64933572839889 0.05549272258652 0.90060636062943 15.999 > 18 73 O 0.14933572839889 0.44450727741348 0.40060636062943 15.999 > 19 74 O 0.64933572839889 0.44450727741348 0.40060636062943 15.999 > 19 75 O 0.14933572839889 0.44450727741348 0.90060636062943 15.999 > 19 76 O 0.64933572839889 0.44450727741348 0.90060636062943 15.999 > 19 77 O 0.01921861070609 0.75000000000000 0.44768714160806 15.999 > 20 78 O 0.51921861070609 0.75000000000000 0.44768714160806 15.999 > 20 79 O 0.01921861070609 0.75000000000000 0.94768714160806 15.999 > 20 80 O 0.51921861070609 0.75000000000000 0.94768714160806 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4657516 0.0000000 0.0000000 0.0000000 4.3867005 0.0000000 0.0000000 0.0000000 4.4415242 -------------------------- Born effective charges -------------------------- 1 Ca 2.4263356 0.0000000 0.1699584 0.0000000 2.3552522 0.0000000 0.1228493 0.0000000 2.4842439 2 Ca 2.4263356 0.0000000 -0.1699584 0.0000000 2.3552522 0.0000000 -0.1228493 0.0000000 2.4842439 3 Ca 2.4263356 0.0000000 -0.1699584 0.0000000 2.3552522 0.0000000 -0.1228493 0.0000000 2.4842439 4 Ca 2.4263356 0.0000000 0.1699584 0.0000000 2.3552522 0.0000000 0.1228493 0.0000000 2.4842439 5 Hf 5.6286090 -0.0877654 0.2168878 -0.2473799 5.5113942 0.3724917 -0.3918479 -0.5673786 5.5300461 6 Hf 5.6286090 0.0877654 0.2168878 0.2473799 5.5113942 -0.3724917 -0.3918479 0.5673786 5.5300461 7 Hf 5.6286090 -0.0877654 -0.2168878 -0.2473799 5.5113942 -0.3724917 0.3918479 0.5673786 5.5300461 8 Hf 5.6286090 0.0877654 -0.2168878 0.2473799 5.5113942 0.3724917 0.3918479 -0.5673786 5.5300461 9 O -1.7715560 0.0000000 -0.1423041 0.0000000 -4.1623710 0.0000000 -0.0406755 0.0000000 -2.0477268 10 O -3.1416943 0.1212815 1.1801438 0.1219235 -1.8521377 0.0262351 1.1410368 0.0233865 -2.9832816 11 O -3.1416943 -0.1212815 1.1801438 -0.1219235 -1.8521377 -0.0262351 1.1410368 -0.0233865 -2.9832816 12 O -3.1416943 0.1212815 -1.1801438 0.1219235 -1.8521377 -0.0262351 -1.1410368 -0.0233865 -2.9832816 13 O -3.1416943 -0.1212815 -1.1801438 -0.1219235 -1.8521377 0.0262351 -1.1410368 0.0233865 -2.9832816 14 O -1.7715560 0.0000000 0.1423041 0.0000000 -4.1623710 0.0000000 0.0406755 0.0000000 -2.0477268 15 O -1.7715560 0.0000000 0.1423041 0.0000000 -4.1623710 0.0000000 0.0406755 0.0000000 -2.0477268 16 O -3.1416943 -0.1212815 -1.1801438 -0.1219235 -1.8521377 0.0262351 -1.1410368 0.0233865 -2.9832816 17 O -3.1416943 0.1212815 -1.1801438 0.1219235 -1.8521377 -0.0262351 -1.1410368 -0.0233865 -2.9832816 18 O -3.1416943 -0.1212815 1.1801438 -0.1219235 -1.8521377 -0.0262351 1.1410368 -0.0233865 -2.9832816 19 O -3.1416943 0.1212815 1.1801438 0.1219235 -1.8521377 0.0262351 1.1410368 0.0233865 -2.9832816 20 O -1.7715560 0.0000000 -0.1423041 0.0000000 -4.1623710 0.0000000 -0.0406755 0.0000000 -2.0477268 ---------------------------------------------------------------------------- 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: 0.743 Solver_block: 200 / 320 - Time: 0.738 Solver_block: 300 / 320 - Time: 0.737 Solver_block: 320 / 320 - Time: 0.198 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.433 --------------------------------- 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 (xx) 0.00000000 (xx) 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 23:33:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:33:02]------------------------- 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 5.701638910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918054760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.520625920000000 Atomic positions (fractional): 1 Ca 0.44943956131479 0.75000000000000 0.01328223643169 40.078 2 Ca 0.94943956131479 0.75000000000000 0.48671776356831 40.078 3 Ca 0.05056043868521 0.25000000000000 0.51328223643169 40.078 4 Ca 0.55056043868521 0.25000000000000 0.98671776356831 40.078 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 7 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 8 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 9 O 0.96156277858781 0.25000000000000 0.10462571678387 15.999 10 O 0.70132854320222 0.55549272258652 0.19878727874115 15.999 11 O 0.70132854320222 0.94450727741348 0.19878727874115 15.999 12 O 0.20132854320222 0.55549272258652 0.30121272125885 15.999 13 O 0.20132854320222 0.94450727741348 0.30121272125885 15.999 14 O 0.46156277858781 0.25000000000000 0.39537428321613 15.999 15 O 0.53843722141219 0.75000000000000 0.60462571678387 15.999 16 O 0.79867145679778 0.05549272258652 0.69878727874115 15.999 17 O 0.79867145679778 0.44450727741348 0.69878727874115 15.999 18 O 0.29867145679778 0.05549272258652 0.80121272125885 15.999 19 O 0.29867145679778 0.44450727741348 0.80121272125885 15.999 20 O 0.03843722141219 0.75000000000000 0.89537428321613 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.403277820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918054760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.041251839999999 Atomic positions (fractional): 1 Ca 0.22471978065739 0.75000000000000 0.00664111821584 40.078 > 1 2 Ca 0.72471978065739 0.75000000000000 0.00664111821584 40.078 > 1 3 Ca 0.22471978065739 0.75000000000000 0.50664111821584 40.078 > 1 4 Ca 0.72471978065739 0.75000000000000 0.50664111821584 40.078 > 1 5 Ca 0.47471978065739 0.75000000000000 0.24335888178416 40.078 > 5 6 Ca 0.97471978065739 0.75000000000000 0.24335888178416 40.078 > 5 7 Ca 0.47471978065739 0.75000000000000 0.74335888178416 40.078 > 5 8 Ca 0.97471978065739 0.75000000000000 0.74335888178416 40.078 > 5 9 Ca 0.02528021934261 0.25000000000000 0.25664111821584 40.078 > 9 10 Ca 0.52528021934261 0.25000000000000 0.25664111821584 40.078 > 9 11 Ca 0.02528021934261 0.25000000000000 0.75664111821584 40.078 > 9 12 Ca 0.52528021934261 0.25000000000000 0.75664111821584 40.078 > 9 13 Ca 0.27528021934261 0.25000000000000 0.49335888178416 40.078 > 13 14 Ca 0.77528021934261 0.25000000000000 0.49335888178416 40.078 > 13 15 Ca 0.27528021934261 0.25000000000000 0.99335888178416 40.078 > 13 16 Ca 0.77528021934261 0.25000000000000 0.99335888178416 40.078 > 13 17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 17 18 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 17 19 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 17 20 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 17 21 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 21 22 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 21 23 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 21 24 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 21 25 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 25 26 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 25 27 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 25 28 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 25 29 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 29 30 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 29 31 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 29 32 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 29 33 O 0.48078138929391 0.25000000000000 0.05231285839194 15.999 > 33 34 O 0.98078138929391 0.25000000000000 0.05231285839194 15.999 > 33 35 O 0.48078138929391 0.25000000000000 0.55231285839194 15.999 > 33 36 O 0.98078138929391 0.25000000000000 0.55231285839194 15.999 > 33 37 O 0.35066427160111 0.55549272258652 0.09939363937057 15.999 > 37 38 O 0.85066427160111 0.55549272258652 0.09939363937057 15.999 > 37 39 O 0.35066427160111 0.55549272258652 0.59939363937057 15.999 > 37 40 O 0.85066427160111 0.55549272258652 0.59939363937057 15.999 > 37 41 O 0.35066427160111 0.94450727741348 0.09939363937057 15.999 > 41 42 O 0.85066427160111 0.94450727741348 0.09939363937057 15.999 > 41 43 O 0.35066427160111 0.94450727741348 0.59939363937057 15.999 > 41 44 O 0.85066427160111 0.94450727741348 0.59939363937057 15.999 > 41 45 O 0.10066427160111 0.55549272258652 0.15060636062943 15.999 > 45 46 O 0.60066427160111 0.55549272258652 0.15060636062943 15.999 > 45 47 O 0.10066427160111 0.55549272258652 0.65060636062943 15.999 > 45 48 O 0.60066427160111 0.55549272258652 0.65060636062943 15.999 > 45 49 O 0.10066427160111 0.94450727741348 0.15060636062943 15.999 > 49 50 O 0.60066427160111 0.94450727741348 0.15060636062943 15.999 > 49 51 O 0.10066427160111 0.94450727741348 0.65060636062943 15.999 > 49 52 O 0.60066427160111 0.94450727741348 0.65060636062943 15.999 > 49 53 O 0.23078138929391 0.25000000000000 0.19768714160806 15.999 > 53 54 O 0.73078138929391 0.25000000000000 0.19768714160806 15.999 > 53 55 O 0.23078138929391 0.25000000000000 0.69768714160806 15.999 > 53 56 O 0.73078138929391 0.25000000000000 0.69768714160806 15.999 > 53 57 O 0.26921861070609 0.75000000000000 0.30231285839194 15.999 > 57 58 O 0.76921861070609 0.75000000000000 0.30231285839194 15.999 > 57 59 O 0.26921861070609 0.75000000000000 0.80231285839194 15.999 > 57 60 O 0.76921861070609 0.75000000000000 0.80231285839194 15.999 > 57 61 O 0.39933572839889 0.05549272258652 0.34939363937057 15.999 > 61 62 O 0.89933572839889 0.05549272258652 0.34939363937057 15.999 > 61 63 O 0.39933572839889 0.05549272258652 0.84939363937057 15.999 > 61 64 O 0.89933572839889 0.05549272258652 0.84939363937057 15.999 > 61 65 O 0.39933572839889 0.44450727741348 0.34939363937057 15.999 > 65 66 O 0.89933572839889 0.44450727741348 0.34939363937057 15.999 > 65 67 O 0.39933572839889 0.44450727741348 0.84939363937057 15.999 > 65 68 O 0.89933572839889 0.44450727741348 0.84939363937057 15.999 > 65 69 O 0.14933572839889 0.05549272258652 0.40060636062943 15.999 > 69 70 O 0.64933572839889 0.05549272258652 0.40060636062943 15.999 > 69 71 O 0.14933572839889 0.05549272258652 0.90060636062943 15.999 > 69 72 O 0.64933572839889 0.05549272258652 0.90060636062943 15.999 > 69 73 O 0.14933572839889 0.44450727741348 0.40060636062943 15.999 > 73 74 O 0.64933572839889 0.44450727741348 0.40060636062943 15.999 > 73 75 O 0.14933572839889 0.44450727741348 0.90060636062943 15.999 > 73 76 O 0.64933572839889 0.44450727741348 0.90060636062943 15.999 > 73 77 O 0.01921861070609 0.75000000000000 0.44768714160806 15.999 > 77 78 O 0.51921861070609 0.75000000000000 0.44768714160806 15.999 > 77 79 O 0.01921861070609 0.75000000000000 0.94768714160806 15.999 > 77 80 O 0.51921861070609 0.75000000000000 0.94768714160806 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4657516 0.0000000 0.0000000 0.0000000 4.3867005 0.0000000 0.0000000 0.0000000 4.4415242 -------------------------- Born effective charges -------------------------- 1 Ca 2.4263356 0.0000000 0.1699584 0.0000000 2.3552522 0.0000000 0.1228493 0.0000000 2.4842439 2 Ca 2.4263356 0.0000000 -0.1699584 0.0000000 2.3552522 0.0000000 -0.1228493 0.0000000 2.4842439 3 Ca 2.4263356 0.0000000 -0.1699584 0.0000000 2.3552522 0.0000000 -0.1228493 0.0000000 2.4842439 4 Ca 2.4263356 0.0000000 0.1699584 0.0000000 2.3552522 0.0000000 0.1228493 0.0000000 2.4842439 5 Hf 5.6286090 -0.0877654 0.2168878 -0.2473799 5.5113942 0.3724917 -0.3918479 -0.5673786 5.5300461 6 Hf 5.6286090 0.0877654 0.2168878 0.2473799 5.5113942 -0.3724917 -0.3918479 0.5673786 5.5300461 7 Hf 5.6286090 -0.0877654 -0.2168878 -0.2473799 5.5113942 -0.3724917 0.3918479 0.5673786 5.5300461 8 Hf 5.6286090 0.0877654 -0.2168878 0.2473799 5.5113942 0.3724917 0.3918479 -0.5673786 5.5300461 9 O -1.7715560 0.0000000 -0.1423041 0.0000000 -4.1623710 0.0000000 -0.0406755 0.0000000 -2.0477268 10 O -3.1416943 0.1212815 1.1801438 0.1219235 -1.8521377 0.0262351 1.1410368 0.0233865 -2.9832816 11 O -3.1416943 -0.1212815 1.1801438 -0.1219235 -1.8521377 -0.0262351 1.1410368 -0.0233865 -2.9832816 12 O -3.1416943 0.1212815 -1.1801438 0.1219235 -1.8521377 -0.0262351 -1.1410368 -0.0233865 -2.9832816 13 O -3.1416943 -0.1212815 -1.1801438 -0.1219235 -1.8521377 0.0262351 -1.1410368 0.0233865 -2.9832816 14 O -1.7715560 0.0000000 0.1423041 0.0000000 -4.1623710 0.0000000 0.0406755 0.0000000 -2.0477268 15 O -1.7715560 0.0000000 0.1423041 0.0000000 -4.1623710 0.0000000 0.0406755 0.0000000 -2.0477268 16 O -3.1416943 -0.1212815 -1.1801438 -0.1219235 -1.8521377 0.0262351 -1.1410368 0.0233865 -2.9832816 17 O -3.1416943 0.1212815 -1.1801438 0.1219235 -1.8521377 -0.0262351 -1.1410368 -0.0233865 -2.9832816 18 O -3.1416943 -0.1212815 1.1801438 -0.1219235 -1.8521377 -0.0262351 1.1410368 -0.0233865 -2.9832816 19 O -3.1416943 0.1212815 1.1801438 0.1219235 -1.8521377 0.0262351 1.1410368 0.0233865 -2.9832816 20 O -1.7715560 0.0000000 -0.1423041 0.0000000 -4.1623710 0.0000000 -0.0406755 0.0000000 -2.0477268 ---------------------------------------------------------------------------- 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[ 37, 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: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000006 (yz) -0.00000006 (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 23:33:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:33:12]------------------------- 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 5.701638910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918054760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.520625920000000 Atomic positions (fractional): 1 Ca 0.44943956131479 0.75000000000000 0.01328223643169 40.078 2 Ca 0.94943956131479 0.75000000000000 0.48671776356831 40.078 3 Ca 0.05056043868521 0.25000000000000 0.51328223643169 40.078 4 Ca 0.55056043868521 0.25000000000000 0.98671776356831 40.078 5 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 6 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 7 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 8 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 9 O 0.96156277858781 0.25000000000000 0.10462571678387 15.999 10 O 0.70132854320222 0.55549272258652 0.19878727874115 15.999 11 O 0.70132854320222 0.94450727741348 0.19878727874115 15.999 12 O 0.20132854320222 0.55549272258652 0.30121272125885 15.999 13 O 0.20132854320222 0.94450727741348 0.30121272125885 15.999 14 O 0.46156277858781 0.25000000000000 0.39537428321613 15.999 15 O 0.53843722141219 0.75000000000000 0.60462571678387 15.999 16 O 0.79867145679778 0.05549272258652 0.69878727874115 15.999 17 O 0.79867145679778 0.44450727741348 0.69878727874115 15.999 18 O 0.29867145679778 0.05549272258652 0.80121272125885 15.999 19 O 0.29867145679778 0.44450727741348 0.80121272125885 15.999 20 O 0.03843722141219 0.75000000000000 0.89537428321613 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.403277820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918054760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.041251839999999 Atomic positions (fractional): 1 Ca 0.22471978065739 0.75000000000000 0.00664111821584 40.078 > 1 2 Ca 0.72471978065739 0.75000000000000 0.00664111821584 40.078 > 1 3 Ca 0.22471978065739 0.75000000000000 0.50664111821584 40.078 > 1 4 Ca 0.72471978065739 0.75000000000000 0.50664111821584 40.078 > 1 5 Ca 0.47471978065739 0.75000000000000 0.24335888178416 40.078 > 5 6 Ca 0.97471978065739 0.75000000000000 0.24335888178416 40.078 > 5 7 Ca 0.47471978065739 0.75000000000000 0.74335888178416 40.078 > 5 8 Ca 0.97471978065739 0.75000000000000 0.74335888178416 40.078 > 5 9 Ca 0.02528021934261 0.25000000000000 0.25664111821584 40.078 > 9 10 Ca 0.52528021934261 0.25000000000000 0.25664111821584 40.078 > 9 11 Ca 0.02528021934261 0.25000000000000 0.75664111821584 40.078 > 9 12 Ca 0.52528021934261 0.25000000000000 0.75664111821584 40.078 > 9 13 Ca 0.27528021934261 0.25000000000000 0.49335888178416 40.078 > 13 14 Ca 0.77528021934261 0.25000000000000 0.49335888178416 40.078 > 13 15 Ca 0.27528021934261 0.25000000000000 0.99335888178416 40.078 > 13 16 Ca 0.77528021934261 0.25000000000000 0.99335888178416 40.078 > 13 17 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 17 18 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 17 19 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 17 20 Hf 0.50000000000000 0.00000000000000 0.50000000000000 178.490 > 17 21 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 21 22 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 21 23 Hf 0.00000000000000 0.50000000000000 0.50000000000000 178.490 > 21 24 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 21 25 Hf 0.25000000000000 0.00000000000000 0.25000000000000 178.490 > 25 26 Hf 0.75000000000000 0.00000000000000 0.25000000000000 178.490 > 25 27 Hf 0.25000000000000 0.00000000000000 0.75000000000000 178.490 > 25 28 Hf 0.75000000000000 0.00000000000000 0.75000000000000 178.490 > 25 29 Hf 0.25000000000000 0.50000000000000 0.25000000000000 178.490 > 29 30 Hf 0.75000000000000 0.50000000000000 0.25000000000000 178.490 > 29 31 Hf 0.25000000000000 0.50000000000000 0.75000000000000 178.490 > 29 32 Hf 0.75000000000000 0.50000000000000 0.75000000000000 178.490 > 29 33 O 0.48078138929391 0.25000000000000 0.05231285839194 15.999 > 33 34 O 0.98078138929391 0.25000000000000 0.05231285839194 15.999 > 33 35 O 0.48078138929391 0.25000000000000 0.55231285839194 15.999 > 33 36 O 0.98078138929391 0.25000000000000 0.55231285839194 15.999 > 33 37 O 0.35066427160111 0.55549272258652 0.09939363937057 15.999 > 37 38 O 0.85066427160111 0.55549272258652 0.09939363937057 15.999 > 37 39 O 0.35066427160111 0.55549272258652 0.59939363937057 15.999 > 37 40 O 0.85066427160111 0.55549272258652 0.59939363937057 15.999 > 37 41 O 0.35066427160111 0.94450727741348 0.09939363937057 15.999 > 41 42 O 0.85066427160111 0.94450727741348 0.09939363937057 15.999 > 41 43 O 0.35066427160111 0.94450727741348 0.59939363937057 15.999 > 41 44 O 0.85066427160111 0.94450727741348 0.59939363937057 15.999 > 41 45 O 0.10066427160111 0.55549272258652 0.15060636062943 15.999 > 45 46 O 0.60066427160111 0.55549272258652 0.15060636062943 15.999 > 45 47 O 0.10066427160111 0.55549272258652 0.65060636062943 15.999 > 45 48 O 0.60066427160111 0.55549272258652 0.65060636062943 15.999 > 45 49 O 0.10066427160111 0.94450727741348 0.15060636062943 15.999 > 49 50 O 0.60066427160111 0.94450727741348 0.15060636062943 15.999 > 49 51 O 0.10066427160111 0.94450727741348 0.65060636062943 15.999 > 49 52 O 0.60066427160111 0.94450727741348 0.65060636062943 15.999 > 49 53 O 0.23078138929391 0.25000000000000 0.19768714160806 15.999 > 53 54 O 0.73078138929391 0.25000000000000 0.19768714160806 15.999 > 53 55 O 0.23078138929391 0.25000000000000 0.69768714160806 15.999 > 53 56 O 0.73078138929391 0.25000000000000 0.69768714160806 15.999 > 53 57 O 0.26921861070609 0.75000000000000 0.30231285839194 15.999 > 57 58 O 0.76921861070609 0.75000000000000 0.30231285839194 15.999 > 57 59 O 0.26921861070609 0.75000000000000 0.80231285839194 15.999 > 57 60 O 0.76921861070609 0.75000000000000 0.80231285839194 15.999 > 57 61 O 0.39933572839889 0.05549272258652 0.34939363937057 15.999 > 61 62 O 0.89933572839889 0.05549272258652 0.34939363937057 15.999 > 61 63 O 0.39933572839889 0.05549272258652 0.84939363937057 15.999 > 61 64 O 0.89933572839889 0.05549272258652 0.84939363937057 15.999 > 61 65 O 0.39933572839889 0.44450727741348 0.34939363937057 15.999 > 65 66 O 0.89933572839889 0.44450727741348 0.34939363937057 15.999 > 65 67 O 0.39933572839889 0.44450727741348 0.84939363937057 15.999 > 65 68 O 0.89933572839889 0.44450727741348 0.84939363937057 15.999 > 65 69 O 0.14933572839889 0.05549272258652 0.40060636062943 15.999 > 69 70 O 0.64933572839889 0.05549272258652 0.40060636062943 15.999 > 69 71 O 0.14933572839889 0.05549272258652 0.90060636062943 15.999 > 69 72 O 0.64933572839889 0.05549272258652 0.90060636062943 15.999 > 69 73 O 0.14933572839889 0.44450727741348 0.40060636062943 15.999 > 73 74 O 0.64933572839889 0.44450727741348 0.40060636062943 15.999 > 73 75 O 0.14933572839889 0.44450727741348 0.90060636062943 15.999 > 73 76 O 0.64933572839889 0.44450727741348 0.90060636062943 15.999 > 73 77 O 0.01921861070609 0.75000000000000 0.44768714160806 15.999 > 77 78 O 0.51921861070609 0.75000000000000 0.44768714160806 15.999 > 77 79 O 0.01921861070609 0.75000000000000 0.94768714160806 15.999 > 77 80 O 0.51921861070609 0.75000000000000 0.94768714160806 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4657516 0.0000000 0.0000000 0.0000000 4.3867005 0.0000000 0.0000000 0.0000000 4.4415242 -------------------------- Born effective charges -------------------------- 1 Ca 2.4263356 0.0000000 0.1699584 0.0000000 2.3552522 0.0000000 0.1228493 0.0000000 2.4842439 2 Ca 2.4263356 0.0000000 -0.1699584 0.0000000 2.3552522 0.0000000 -0.1228493 0.0000000 2.4842439 3 Ca 2.4263356 0.0000000 -0.1699584 0.0000000 2.3552522 0.0000000 -0.1228493 0.0000000 2.4842439 4 Ca 2.4263356 0.0000000 0.1699584 0.0000000 2.3552522 0.0000000 0.1228493 0.0000000 2.4842439 5 Hf 5.6286090 -0.0877654 0.2168878 -0.2473799 5.5113942 0.3724917 -0.3918479 -0.5673786 5.5300461 6 Hf 5.6286090 0.0877654 0.2168878 0.2473799 5.5113942 -0.3724917 -0.3918479 0.5673786 5.5300461 7 Hf 5.6286090 -0.0877654 -0.2168878 -0.2473799 5.5113942 -0.3724917 0.3918479 0.5673786 5.5300461 8 Hf 5.6286090 0.0877654 -0.2168878 0.2473799 5.5113942 0.3724917 0.3918479 -0.5673786 5.5300461 9 O -1.7715560 0.0000000 -0.1423041 0.0000000 -4.1623710 0.0000000 -0.0406755 0.0000000 -2.0477268 10 O -3.1416943 0.1212815 1.1801438 0.1219235 -1.8521377 0.0262351 1.1410368 0.0233865 -2.9832816 11 O -3.1416943 -0.1212815 1.1801438 -0.1219235 -1.8521377 -0.0262351 1.1410368 -0.0233865 -2.9832816 12 O -3.1416943 0.1212815 -1.1801438 0.1219235 -1.8521377 -0.0262351 -1.1410368 -0.0233865 -2.9832816 13 O -3.1416943 -0.1212815 -1.1801438 -0.1219235 -1.8521377 0.0262351 -1.1410368 0.0233865 -2.9832816 14 O -1.7715560 0.0000000 0.1423041 0.0000000 -4.1623710 0.0000000 0.0406755 0.0000000 -2.0477268 15 O -1.7715560 0.0000000 0.1423041 0.0000000 -4.1623710 0.0000000 0.0406755 0.0000000 -2.0477268 16 O -3.1416943 -0.1212815 -1.1801438 -0.1219235 -1.8521377 0.0262351 -1.1410368 0.0233865 -2.9832816 17 O -3.1416943 0.1212815 -1.1801438 0.1219235 -1.8521377 -0.0262351 -1.1410368 -0.0233865 -2.9832816 18 O -3.1416943 -0.1212815 1.1801438 -0.1219235 -1.8521377 -0.0262351 1.1410368 -0.0233865 -2.9832816 19 O -3.1416943 0.1212815 1.1801438 0.1219235 -1.8521377 0.0262351 1.1410368 0.0233865 -2.9832816 20 O -1.7715560 0.0000000 -0.1423041 0.0000000 -4.1623710 0.0000000 -0.0406755 0.0000000 -2.0477268 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 315, Lambda: 0.14 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: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 2.545 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.552 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 7.812 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 8.842 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.468 ( 0.000 0.000 0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 10.925 ( 0.000 0.000 0.000) 0.000 11.519 ( 0.000 0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 12.615 ( 0.000 0.000 0.000) 0.000 12.866 ( 0.000 0.000 0.000) 0.000 13.084 ( 0.000 0.000 0.000) 0.000 13.735 ( 0.000 0.000 0.000) 0.000 14.007 ( 0.000 0.000 0.000) 0.000 14.880 ( 0.000 0.000 0.000) 0.000 15.118 ( 0.000 0.000 0.000) 0.000 15.612 ( 0.000 0.000 0.000) 0.000 15.767 ( 0.000 0.000 0.000) 0.000 15.863 ( 0.000 0.000 0.000) 0.000 16.296 ( 0.000 0.000 0.000) 0.000 17.612 ( 0.000 0.000 0.000) 0.000 17.754 ( 0.000 0.000 0.000) 0.000 17.941 ( 0.000 0.000 0.000) 0.000 21.956 ( 0.000 0.000 0.000) 0.000 23.125 ( 0.000 0.000 0.000) 0.000 23.745 ( 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: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.725 ( 36.360 0.000 0.000) 36.360 0.763 ( 37.869 0.000 0.000) 37.869 1.292 ( 64.382 0.000 0.000) 64.382 2.661 ( 11.218 0.000 0.000) 11.218 2.813 ( 13.725 0.000 0.000) 13.725 3.325 ( -1.543 0.000 0.000) 1.543 3.455 ( -3.687 0.000 0.000) 3.687 3.544 ( 0.804 0.000 0.000) 0.804 3.890 ( -0.780 0.000 0.000) 0.780 4.255 ( 2.683 0.000 0.000) 2.683 4.720 ( -21.052 0.000 0.000) 21.052 4.851 ( -20.169 0.000 0.000) 20.169 4.935 ( 2.156 0.000 0.000) 2.156 5.166 ( -9.165 0.000 0.000) 9.165 5.192 ( -10.251 0.000 0.000) 10.251 5.413 ( -10.366 0.000 0.000) 10.366 5.572 ( 8.789 0.000 0.000) 8.789 5.613 ( 1.401 0.000 0.000) 1.401 5.723 ( 5.145 0.000 0.000) 5.145 5.825 ( 8.313 0.000 0.000) 8.313 5.956 ( 8.455 0.000 0.000) 8.455 6.325 ( 0.541 0.000 0.000) 0.541 6.447 ( 8.197 0.000 0.000) 8.197 6.858 ( 0.497 0.000 0.000) 0.497 7.181 ( 7.567 0.000 0.000) 7.567 7.381 ( 9.123 0.000 0.000) 9.123 7.397 ( 5.410 0.000 0.000) 5.410 7.460 ( 12.683 0.000 0.000) 12.683 7.808 ( -0.326 0.000 0.000) 0.326 7.831 ( 4.114 0.000 0.000) 4.114 8.716 ( -4.100 0.000 0.000) 4.100 8.824 ( 0.374 0.000 0.000) 0.374 9.234 ( -3.831 0.000 0.000) 3.831 9.488 ( 2.030 0.000 0.000) 2.030 9.682 ( 12.906 0.000 0.000) 12.906 9.814 ( -4.873 0.000 0.000) 4.873 10.296 ( -13.396 0.000 0.000) 13.396 10.588 ( -17.150 0.000 0.000) 17.150 10.886 ( -3.824 0.000 0.000) 3.824 10.918 ( 14.789 0.000 0.000) 14.789 11.249 ( 4.309 0.000 0.000) 4.309 11.698 ( -3.100 0.000 0.000) 3.100 12.264 ( 8.619 0.000 0.000) 8.619 12.670 ( 5.346 0.000 0.000) 5.346 12.794 ( -7.193 0.000 0.000) 7.193 13.048 ( -3.696 0.000 0.000) 3.696 13.935 ( 0.396 0.000 0.000) 0.396 14.001 ( -0.638 0.000 0.000) 0.638 14.933 ( 5.100 0.000 0.000) 5.100 15.272 ( 14.806 0.000 0.000) 14.806 15.769 ( 0.667 0.000 0.000) 0.667 15.904 ( 4.425 0.000 0.000) 4.425 16.338 ( 4.329 0.000 0.000) 4.329 17.608 ( -0.575 0.000 0.000) 0.575 17.705 ( -5.012 0.000 0.000) 5.012 17.901 ( -4.206 0.000 0.000) 4.206 21.493 ( 5.024 0.000 0.000) 5.024 21.989 ( 3.592 0.000 0.000) 3.592 23.077 ( -4.935 0.000 0.000) 4.935 23.714 ( -3.327 0.000 0.000) 3.327 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.401 ( 32.572 0.000 0.000) 32.572 1.456 ( 32.879 0.000 0.000) 32.879 2.466 ( 54.623 0.000 0.000) 54.623 2.931 ( 13.930 0.000 0.000) 13.930 2.975 ( 0.648 0.000 0.000) 0.648 3.277 ( -2.554 0.000 0.000) 2.554 3.354 ( -6.488 0.000 0.000) 6.488 3.551 ( -0.229 0.000 0.000) 0.229 4.010 ( 13.640 0.000 0.000) 13.640 4.248 ( -25.182 0.000 0.000) 25.182 4.287 ( -2.285 0.000 0.000) 2.285 4.508 ( -10.654 0.000 0.000) 10.654 4.963 ( -11.694 0.000 0.000) 11.694 4.987 ( -10.116 0.000 0.000) 10.116 4.995 ( 3.806 0.000 0.000) 3.806 5.203 ( -9.413 0.000 0.000) 9.413 5.496 ( -10.118 0.000 0.000) 10.118 5.749 ( 9.101 0.000 0.000) 9.101 5.832 ( 5.791 0.000 0.000) 5.791 5.913 ( -1.501 0.000 0.000) 1.501 6.234 ( 17.433 0.000 0.000) 17.433 6.401 ( 8.478 0.000 0.000) 8.478 6.594 ( 5.515 0.000 0.000) 5.515 6.825 ( -3.990 0.000 0.000) 3.990 7.361 ( 9.112 0.000 0.000) 9.112 7.454 ( -0.460 0.000 0.000) 0.460 7.585 ( 10.505 0.000 0.000) 10.505 7.781 ( 18.693 0.000 0.000) 18.693 7.816 ( 2.343 0.000 0.000) 2.343 7.968 ( 8.650 0.000 0.000) 8.650 8.623 ( -5.307 0.000 0.000) 5.307 8.839 ( 1.846 0.000 0.000) 1.846 9.133 ( -6.448 0.000 0.000) 6.448 9.549 ( 4.417 0.000 0.000) 4.417 9.648 ( -11.598 0.000 0.000) 11.598 10.021 ( 19.496 0.000 0.000) 19.496 10.119 ( -4.723 0.000 0.000) 4.723 10.270 ( -14.200 0.000 0.000) 14.200 10.801 ( -3.271 0.000 0.000) 3.271 11.126 ( 4.403 0.000 0.000) 4.403 11.235 ( -5.235 0.000 0.000) 5.235 11.670 ( 2.734 0.000 0.000) 2.734 12.478 ( 11.418 0.000 0.000) 11.418 12.594 ( -13.222 0.000 0.000) 13.222 12.805 ( 7.824 0.000 0.000) 7.824 12.952 ( -5.437 0.000 0.000) 5.437 13.941 ( 0.102 0.000 0.000) 0.102 13.984 ( -1.117 0.000 0.000) 1.117 15.061 ( 7.589 0.000 0.000) 7.589 15.553 ( 7.078 0.000 0.000) 7.078 15.895 ( 17.860 0.000 0.000) 17.860 16.042 ( 9.902 0.000 0.000) 9.902 16.466 ( 8.879 0.000 0.000) 8.879 17.557 ( -10.112 0.000 0.000) 10.112 17.578 ( -2.819 0.000 0.000) 2.819 17.775 ( -8.732 0.000 0.000) 8.732 21.637 ( 9.621 0.000 0.000) 9.621 22.108 ( 8.964 0.000 0.000) 8.964 22.935 ( -9.439 0.000 0.000) 9.439 23.606 ( -7.995 0.000 0.000) 7.995 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.974 ( 25.766 0.000 0.000) 25.766 2.037 ( 26.756 0.000 0.000) 26.756 2.932 ( -1.363 0.000 0.000) 1.363 2.979 ( -9.903 0.000 0.000) 9.903 3.125 ( -5.664 0.000 0.000) 5.664 3.362 ( 8.200 0.000 0.000) 8.200 3.396 ( 24.487 0.000 0.000) 24.487 3.544 ( -0.051 0.000 0.000) 0.051 3.831 ( -13.491 0.000 0.000) 13.491 4.194 ( 1.607 0.000 0.000) 1.607 4.265 ( 6.650 0.000 0.000) 6.650 4.492 ( 4.362 0.000 0.000) 4.362 4.725 ( -11.811 0.000 0.000) 11.811 4.856 ( -0.524 0.000 0.000) 0.524 5.066 ( -5.331 0.000 0.000) 5.331 5.070 ( 3.265 0.000 0.000) 3.265 5.307 ( -7.543 0.000 0.000) 7.543 5.767 ( -12.429 0.000 0.000) 12.429 5.913 ( 7.313 0.000 0.000) 7.313 5.940 ( 5.089 0.000 0.000) 5.089 6.584 ( 17.689 0.000 0.000) 17.689 6.629 ( 13.402 0.000 0.000) 13.402 6.639 ( -0.714 0.000 0.000) 0.714 6.716 ( -6.548 0.000 0.000) 6.548 7.390 ( -5.601 0.000 0.000) 5.601 7.437 ( -2.479 0.000 0.000) 2.479 7.780 ( 10.281 0.000 0.000) 10.281 7.945 ( 9.998 0.000 0.000) 9.998 8.091 ( 2.821 0.000 0.000) 2.821 8.148 ( 18.472 0.000 0.000) 18.472 8.505 ( -7.026 0.000 0.000) 7.026 8.923 ( 6.734 0.000 0.000) 6.734 8.982 ( -9.212 0.000 0.000) 9.212 9.413 ( -11.391 0.000 0.000) 11.391 9.671 ( 8.231 0.000 0.000) 8.231 10.070 ( -5.777 0.000 0.000) 5.777 10.077 ( -0.455 0.000 0.000) 0.455 10.251 ( -0.374 0.000 0.000) 0.374 10.911 ( 18.014 0.000 0.000) 18.014 11.071 ( -7.620 0.000 0.000) 7.620 11.086 ( -8.945 0.000 0.000) 8.945 11.842 ( 13.239 0.000 0.000) 13.239 12.284 ( -18.560 0.000 0.000) 18.560 12.584 ( -3.625 0.000 0.000) 3.625 12.915 ( 3.957 0.000 0.000) 3.957 12.952 ( 6.670 0.000 0.000) 6.670 13.937 ( -0.442 0.000 0.000) 0.442 13.959 ( -1.321 0.000 0.000) 1.321 15.212 ( 7.628 0.000 0.000) 7.628 15.559 ( -3.207 0.000 0.000) 3.207 16.291 ( 15.399 0.000 0.000) 15.399 16.391 ( 28.146 0.000 0.000) 28.146 16.682 ( 13.117 0.000 0.000) 13.117 17.313 ( -14.841 0.000 0.000) 14.841 17.482 ( -7.555 0.000 0.000) 7.555 17.562 ( -13.007 0.000 0.000) 13.007 21.862 ( 13.208 0.000 0.000) 13.208 22.346 ( 15.402 0.000 0.000) 15.402 22.715 ( -13.000 0.000 0.000) 13.000 23.394 ( -13.838 0.000 0.000) 13.838 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.393 ( 17.606 0.000 0.000) 17.606 2.504 ( 21.375 0.000 0.000) 21.375 2.709 ( -15.677 0.000 0.000) 15.677 2.874 ( -16.533 0.000 0.000) 16.533 3.009 ( 9.741 0.000 0.000) 9.741 3.262 ( -13.955 0.000 0.000) 13.955 3.562 ( 1.885 0.000 0.000) 1.885 3.598 ( -0.342 0.000 0.000) 0.342 3.903 ( 14.547 0.000 0.000) 14.547 4.183 ( -12.047 0.000 0.000) 12.047 4.391 ( 9.124 0.000 0.000) 9.124 4.531 ( -7.827 0.000 0.000) 7.827 4.684 ( 16.843 0.000 0.000) 16.843 4.950 ( -8.245 0.000 0.000) 8.245 4.977 ( 8.842 0.000 0.000) 8.842 5.090 ( -2.044 0.000 0.000) 2.044 5.258 ( 3.726 0.000 0.000) 3.726 5.471 ( -16.121 0.000 0.000) 16.121 6.018 ( 2.996 0.000 0.000) 2.996 6.019 ( 2.557 0.000 0.000) 2.557 6.598 ( -2.121 0.000 0.000) 2.121 6.607 ( -3.585 0.000 0.000) 3.585 6.873 ( 9.963 0.000 0.000) 9.963 6.882 ( 10.716 0.000 0.000) 10.716 7.267 ( -5.050 0.000 0.000) 5.050 7.314 ( -8.024 0.000 0.000) 8.024 7.968 ( 8.104 0.000 0.000) 8.104 8.080 ( -3.378 0.000 0.000) 3.378 8.151 ( 10.520 0.000 0.000) 10.520 8.345 ( -9.278 0.000 0.000) 9.278 8.487 ( 16.108 0.000 0.000) 16.108 8.769 ( -12.696 0.000 0.000) 12.696 9.070 ( 7.653 0.000 0.000) 7.653 9.221 ( -8.398 0.000 0.000) 8.398 9.867 ( 11.615 0.000 0.000) 11.615 10.039 ( 1.516 0.000 0.000) 1.516 10.072 ( -0.856 0.000 0.000) 0.856 10.101 ( -11.524 0.000 0.000) 11.524 10.931 ( -4.686 0.000 0.000) 4.686 10.936 ( -5.052 0.000 0.000) 5.052 11.381 ( 26.374 0.000 0.000) 26.374 11.873 ( -23.473 0.000 0.000) 23.473 12.125 ( 14.913 0.000 0.000) 14.913 12.400 ( -12.834 0.000 0.000) 12.834 13.021 ( 4.211 0.000 0.000) 4.211 13.042 ( 2.085 0.000 0.000) 2.085 13.930 ( -0.152 0.000 0.000) 0.152 13.936 ( -0.867 0.000 0.000) 0.867 15.353 ( 6.709 0.000 0.000) 6.709 15.472 ( -5.421 0.000 0.000) 5.421 16.627 ( 18.482 0.000 0.000) 18.482 16.899 ( 22.556 0.000 0.000) 22.556 16.967 ( 15.760 0.000 0.000) 15.760 16.989 ( -17.668 0.000 0.000) 17.668 17.268 ( -14.704 0.000 0.000) 14.704 17.278 ( -15.716 0.000 0.000) 15.716 22.141 ( 15.144 0.000 0.000) 15.144 22.439 ( -15.049 0.000 0.000) 15.049 22.693 ( 19.521 0.000 0.000) 19.521 23.073 ( -18.679 0.000 0.000) 18.679 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.738 ( 0.000 33.944 0.000) 33.944 0.767 ( 0.000 35.260 0.000) 35.260 1.462 ( 0.000 66.853 0.000) 66.853 2.517 ( 0.000 -3.963 0.000) 3.963 2.754 ( 0.000 -8.748 0.000) 8.748 3.301 ( 0.000 -6.483 0.000) 6.483 3.562 ( 0.000 20.361 0.000) 20.361 3.637 ( 0.000 9.651 0.000) 9.651 3.792 ( 0.000 -23.345 0.000) 23.345 4.843 ( 0.000 -9.752 0.000) 9.752 4.893 ( 0.000 -2.079 0.000) 2.079 4.920 ( 0.000 -3.050 0.000) 3.050 4.936 ( 0.000 24.999 0.000) 24.999 5.242 ( 0.000 -3.741 0.000) 3.741 5.396 ( 0.000 -14.156 0.000) 14.156 5.414 ( 0.000 6.539 0.000) 6.539 5.486 ( 0.000 -4.043 0.000) 4.043 5.528 ( 0.000 2.928 0.000) 2.928 5.582 ( 0.000 -25.269 0.000) 25.269 5.901 ( 0.000 -0.771 0.000) 0.771 6.075 ( 0.000 11.882 0.000) 11.882 6.681 ( 0.000 -9.936 0.000) 9.936 6.708 ( 0.000 -11.122 0.000) 11.122 7.055 ( 0.000 33.085 0.000) 33.085 7.180 ( 0.000 7.553 0.000) 7.553 7.208 ( 0.000 -6.927 0.000) 6.927 7.347 ( 0.000 5.058 0.000) 5.058 7.614 ( 0.000 6.204 0.000) 6.204 7.688 ( 0.000 -2.567 0.000) 2.567 7.785 ( 0.000 -2.632 0.000) 2.632 7.947 ( 0.000 10.070 0.000) 10.070 8.686 ( 0.000 -7.102 0.000) 7.102 8.812 ( 0.000 -2.924 0.000) 2.924 9.113 ( 0.000 -13.837 0.000) 13.837 9.549 ( 0.000 7.639 0.000) 7.639 9.871 ( 0.000 1.617 0.000) 1.617 10.542 ( 0.000 -7.175 0.000) 7.175 10.588 ( 0.000 -1.495 0.000) 1.495 10.774 ( 0.000 -4.173 0.000) 4.173 10.816 ( 0.000 -7.839 0.000) 7.839 11.694 ( 0.000 14.021 0.000) 14.021 11.752 ( 0.000 2.998 0.000) 2.998 12.558 ( 0.000 -5.393 0.000) 5.393 12.743 ( 0.000 5.277 0.000) 5.277 12.966 ( 0.000 8.818 0.000) 8.818 13.028 ( 0.000 -4.115 0.000) 4.115 13.687 ( 0.000 -4.565 0.000) 4.565 13.931 ( 0.000 -6.755 0.000) 6.755 15.126 ( 0.000 21.899 0.000) 21.899 15.215 ( 0.000 3.163 0.000) 3.163 15.587 ( 0.000 -2.329 0.000) 2.329 15.907 ( 0.000 4.207 0.000) 4.207 16.266 ( 0.000 -2.798 0.000) 2.798 17.498 ( 0.000 -10.925 0.000) 10.925 17.767 ( 0.000 1.211 0.000) 1.211 17.929 ( 0.000 -1.131 0.000) 1.131 21.118 ( 0.000 4.985 0.000) 4.985 21.890 ( 0.000 -6.064 0.000) 6.064 23.132 ( 0.000 0.862 0.000) 0.862 23.665 ( 0.000 -7.208 0.000) 7.208 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.033 ( 25.079 21.731 0.000) 33.185 1.173 ( 27.329 26.554 0.000) 38.106 1.845 ( 37.731 47.146 0.000) 60.385 2.623 ( 10.308 -4.807 0.000) 11.373 2.803 ( 6.459 -5.260 0.000) 8.330 3.317 ( 0.067 -8.036 0.000) 8.036 3.479 ( -5.579 12.749 0.000) 13.916 3.681 ( 1.278 13.904 0.000) 13.962 3.814 ( 2.420 -21.315 0.000) 21.452 4.483 ( -19.513 10.816 0.000) 22.311 4.660 ( -22.159 -5.835 0.000) 22.915 4.857 ( -12.148 14.957 0.000) 19.269 4.888 ( -1.794 -4.213 0.000) 4.579 5.166 ( -3.977 0.188 0.000) 3.982 5.323 ( -8.571 -9.186 0.000) 12.563 5.393 ( -4.583 8.832 0.000) 9.950 5.496 ( 6.610 -11.963 0.000) 13.668 5.590 ( -0.135 0.178 0.000) 0.223 5.838 ( 15.866 -16.281 0.000) 22.734 5.930 ( 3.533 -0.023 0.000) 3.533 6.058 ( -17.477 22.444 0.000) 28.446 6.103 ( 2.632 13.235 0.000) 13.494 6.765 ( 1.081 -8.774 0.000) 8.840 7.052 ( -0.790 31.162 0.000) 31.172 7.210 ( 5.683 0.934 0.000) 5.760 7.277 ( 8.182 -9.030 0.000) 12.186 7.335 ( 9.743 -2.143 0.000) 9.976 7.441 ( 5.353 3.419 0.000) 6.352 7.784 ( -0.117 -2.356 0.000) 2.359 8.009 ( 6.443 11.516 0.000) 13.196 8.615 ( 3.581 -8.679 0.000) 9.388 8.788 ( 1.390 -3.554 0.000) 3.816 9.029 ( 41.696 -26.100 0.000) 49.191 9.069 ( -4.365 -14.180 0.000) 14.837 9.552 ( 0.139 5.956 0.000) 5.957 9.862 ( -0.976 4.739 0.000) 4.838 10.271 ( -13.063 -3.441 0.000) 13.508 10.656 ( -12.167 -1.236 0.000) 12.230 10.754 ( -4.704 -7.919 0.000) 9.211 10.882 ( 15.764 -4.385 0.000) 16.362 11.586 ( -6.719 18.551 0.000) 19.731 11.708 ( -4.223 2.483 0.000) 4.899 12.561 ( -0.714 -7.554 0.000) 7.587 12.636 ( -2.168 21.578 0.000) 21.687 12.942 ( -1.546 10.631 0.000) 10.742 12.950 ( -4.519 -8.306 0.000) 9.456 13.801 ( 4.959 -8.954 0.000) 10.236 13.927 ( -0.464 -6.636 0.000) 6.652 15.172 ( 4.532 21.456 0.000) 21.929 15.345 ( 14.204 4.825 0.000) 15.001 15.744 ( 8.078 -2.394 0.000) 8.426 15.947 ( 4.262 4.026 0.000) 5.863 16.309 ( 4.419 -2.713 0.000) 5.186 17.495 ( -0.452 -10.817 0.000) 10.826 17.711 ( -5.226 0.991 0.000) 5.319 17.888 ( -4.255 -1.190 0.000) 4.418 21.278 ( 11.358 -6.692 0.000) 13.183 21.923 ( 3.425 -6.399 0.000) 7.258 23.084 ( -4.893 0.920 0.000) 4.978 23.632 ( -3.460 -7.337 0.000) 8.112 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.563 ( 27.352 9.901 0.000) 29.089 1.681 ( 25.357 20.868 0.000) 32.839 2.684 ( 39.731 18.233 0.000) 43.715 2.881 ( 14.892 -6.470 0.000) 16.237 2.918 ( 4.637 -3.135 0.000) 5.597 3.289 ( -2.087 -5.153 0.000) 5.560 3.371 ( -5.697 8.650 0.000) 10.357 3.650 ( -4.323 9.611 0.000) 10.539 3.887 ( 4.116 -16.695 0.000) 17.195 4.183 ( -24.810 -5.908 0.000) 25.503 4.231 ( -8.492 -6.900 0.000) 10.942 4.644 ( -4.634 24.927 0.000) 25.354 4.767 ( -10.478 -10.989 0.000) 15.184 5.152 ( 0.337 4.289 0.000) 4.302 5.193 ( -2.009 2.948 0.000) 3.568 5.219 ( -10.404 12.733 0.000) 16.443 5.496 ( -6.807 2.060 0.000) 7.112 5.622 ( 5.504 -10.967 0.000) 12.270 5.929 ( 3.106 10.685 0.000) 11.127 6.059 ( 3.741 -4.755 0.000) 6.051 6.194 ( 14.775 -3.670 0.000) 15.224 6.223 ( 11.974 6.920 0.000) 13.830 6.757 ( -1.379 -6.242 0.000) 6.392 7.019 ( -2.720 24.630 0.000) 24.780 7.367 ( 8.594 -0.195 0.000) 8.596 7.435 ( 2.134 -5.439 0.000) 5.843 7.542 ( 10.455 -2.901 0.000) 10.850 7.611 ( 14.099 -3.378 0.000) 14.498 7.791 ( 1.740 -2.215 0.000) 2.817 8.164 ( 7.539 8.860 0.000) 11.633 8.586 ( -3.697 -2.031 0.000) 4.218 8.828 ( 4.669 -0.404 0.000) 4.687 8.949 ( -7.705 -15.175 0.000) 17.019 9.543 ( -1.486 1.982 0.000) 2.477 9.698 ( 26.580 -18.483 0.000) 32.375 9.819 ( -3.671 11.535 0.000) 12.105 10.103 ( -2.996 -1.481 0.000) 3.342 10.400 ( -11.397 3.349 0.000) 11.879 10.667 ( -2.810 -8.430 0.000) 8.886 11.148 ( 9.563 -0.014 0.000) 9.563 11.457 ( -7.660 16.288 0.000) 17.999 11.622 ( -2.414 -2.124 0.000) 3.216 12.470 ( -9.432 -8.816 0.000) 12.911 12.672 ( 1.268 12.685 0.000) 12.749 12.876 ( -0.805 -4.512 0.000) 4.583 12.956 ( 3.473 11.028 0.000) 11.561 13.858 ( 1.520 -7.057 0.000) 7.219 13.914 ( -0.800 -6.255 0.000) 6.306 15.287 ( 6.743 20.341 0.000) 21.429 15.658 ( 10.617 7.808 0.000) 13.179 15.914 ( 16.070 1.487 0.000) 16.139 16.081 ( 9.637 3.559 0.000) 10.273 16.440 ( 9.033 -2.488 0.000) 9.369 17.471 ( -2.429 -10.356 0.000) 10.637 17.566 ( -9.766 0.945 0.000) 9.811 17.761 ( -8.807 -1.306 0.000) 8.904 21.509 ( 12.753 -8.058 0.000) 15.086 22.034 ( 8.419 -7.044 0.000) 10.977 22.943 ( -9.525 0.938 0.000) 9.571 23.521 ( -8.179 -7.644 0.000) 11.195 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.060 ( 23.201 2.689 0.000) 23.356 2.153 ( 22.522 14.470 0.000) 26.770 2.863 ( -2.199 -5.123 0.000) 5.575 3.082 ( -2.302 5.036 0.000) 5.537 3.114 ( -3.260 -1.677 0.000) 3.665 3.296 ( 3.629 -3.080 0.000) 4.760 3.480 ( 18.533 5.813 0.000) 19.423 3.564 ( -2.497 1.149 0.000) 2.749 3.748 ( -18.758 -5.549 0.000) 19.562 3.900 ( -2.708 -14.678 0.000) 14.925 4.125 ( -0.283 -17.102 0.000) 17.105 4.535 ( -11.984 -13.902 0.000) 18.354 4.748 ( 12.709 25.863 0.000) 28.818 5.088 ( -1.284 13.632 0.000) 13.692 5.129 ( -0.292 4.957 0.000) 4.966 5.246 ( 3.240 13.273 0.000) 13.663 5.376 ( -4.512 6.603 0.000) 7.997 5.678 ( -0.804 -5.726 0.000) 5.783 6.017 ( 4.532 6.693 0.000) 8.083 6.066 ( -0.935 7.363 0.000) 7.422 6.444 ( 7.959 -10.352 0.000) 13.058 6.465 ( 10.157 -2.564 0.000) 10.475 6.769 ( 5.462 1.737 0.000) 5.731 6.958 ( -2.331 17.451 0.000) 17.606 7.391 ( -5.357 -0.606 0.000) 5.391 7.446 ( -2.225 0.300 0.000) 2.245 7.733 ( 9.996 -4.244 0.000) 10.860 7.890 ( 12.263 -8.807 0.000) 15.098 7.896 ( 8.518 -3.868 0.000) 9.355 8.240 ( 0.129 0.007 0.000) 0.130 8.506 ( -3.825 -0.590 0.000) 3.870 8.782 ( -9.062 -15.256 0.000) 17.744 8.984 ( 10.394 6.969 0.000) 12.514 9.476 ( -5.555 3.890 0.000) 6.781 9.768 ( -0.024 5.265 0.000) 5.265 9.992 ( 2.874 -6.580 0.000) 7.181 10.136 ( 4.789 7.697 0.000) 9.066 10.265 ( -3.625 0.889 0.000) 3.732 10.780 ( 17.116 -8.198 0.000) 18.978 11.162 ( -6.753 8.108 0.000) 10.552 11.281 ( -9.522 14.187 0.000) 17.086 11.717 ( 10.982 -11.025 0.000) 15.561 12.210 ( -16.241 -6.627 0.000) 17.541 12.564 ( -10.281 -4.607 0.000) 11.266 12.975 ( 7.793 7.386 0.000) 10.737 13.049 ( 5.059 8.393 0.000) 9.800 13.873 ( 0.179 -5.737 0.000) 5.740 13.897 ( -0.970 -5.666 0.000) 5.749 15.420 ( 6.673 18.807 0.000) 19.956 15.705 ( -1.848 12.349 0.000) 12.487 16.324 ( 15.124 3.026 0.000) 15.424 16.382 ( 26.598 -1.042 0.000) 26.618 16.659 ( 13.292 -2.186 0.000) 13.470 17.329 ( -14.461 1.500 0.000) 14.539 17.386 ( -6.706 -9.228 0.000) 11.407 17.547 ( -13.073 -1.423 0.000) 13.150 21.784 ( 15.468 -5.692 0.000) 16.482 22.262 ( 14.958 -7.745 0.000) 16.845 22.718 ( -13.469 0.527 0.000) 13.479 23.306 ( -13.979 -7.955 0.000) 16.084 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.460 ( 17.561 -2.818 0.000) 17.786 2.531 ( 15.373 10.825 0.000) 18.802 2.771 ( -8.772 -4.594 0.000) 9.902 2.858 ( -14.410 12.674 0.000) 19.190 3.094 ( 5.778 3.782 0.000) 6.906 3.302 ( -11.103 3.215 0.000) 11.559 3.534 ( 0.691 -4.765 0.000) 4.815 3.583 ( -2.543 -2.362 0.000) 3.471 3.641 ( 8.861 -18.161 0.000) 20.208 3.820 ( -7.151 -21.674 0.000) 22.823 4.203 ( 5.841 -15.196 0.000) 16.280 4.333 ( -8.300 -15.312 0.000) 17.417 5.032 ( 12.596 24.259 0.000) 27.334 5.131 ( -0.430 12.175 0.000) 12.182 5.161 ( 6.638 13.592 0.000) 15.126 5.265 ( -2.080 14.639 0.000) 14.786 5.363 ( 4.925 9.451 0.000) 10.657 5.560 ( -10.957 6.909 0.000) 12.954 6.062 ( 0.727 4.320 0.000) 4.381 6.071 ( 0.722 3.314 0.000) 3.392 6.505 ( 1.518 -7.838 0.000) 7.983 6.547 ( -1.362 -4.080 0.000) 4.301 6.972 ( 10.991 6.148 0.000) 12.593 6.995 ( 5.674 10.525 0.000) 11.957 7.262 ( -6.014 -0.884 0.000) 6.079 7.316 ( -9.158 -0.741 0.000) 9.188 7.922 ( 8.499 -4.316 0.000) 9.533 8.020 ( -0.006 -5.794 0.000) 5.794 8.067 ( 8.164 -6.538 0.000) 10.460 8.194 ( -4.537 -8.327 0.000) 9.482 8.484 ( 3.071 -3.600 0.000) 4.732 8.609 ( -8.372 -11.925 0.000) 14.570 9.182 ( 9.163 9.498 0.000) 13.198 9.343 ( -7.640 8.230 0.000) 11.229 9.827 ( 5.482 -3.349 0.000) 6.424 9.947 ( -5.608 -5.626 0.000) 7.943 10.227 ( 2.915 13.634 0.000) 13.942 10.232 ( 0.696 9.027 0.000) 9.054 11.025 ( -4.365 8.618 0.000) 9.660 11.037 ( -2.765 8.107 0.000) 8.565 11.304 ( 21.574 -5.710 0.000) 22.317 11.746 ( -18.432 -11.120 0.000) 21.527 12.064 ( 10.628 -6.156 0.000) 12.282 12.326 ( -13.633 -7.318 0.000) 15.473 13.098 ( 4.059 7.146 0.000) 8.218 13.121 ( 1.667 7.025 0.000) 7.220 13.873 ( 0.027 -5.112 0.000) 5.112 13.879 ( -0.687 -5.153 0.000) 5.199 15.541 ( 5.723 17.011 0.000) 17.948 15.641 ( -4.360 14.965 0.000) 15.587 16.654 ( 18.212 2.534 0.000) 18.388 16.856 ( 21.004 -4.232 0.000) 21.426 16.947 ( 15.845 -1.924 0.000) 15.961 17.012 ( -17.619 2.043 0.000) 17.737 17.194 ( -13.229 -7.101 0.000) 15.015 17.262 ( -15.788 -1.553 0.000) 15.865 22.102 ( 16.845 -2.901 0.000) 17.093 22.427 ( -16.108 -0.708 0.000) 16.123 22.603 ( 19.368 -8.113 0.000) 20.998 22.983 ( -18.716 -8.138 0.000) 20.408 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.408 ( 0.000 29.327 0.000) 29.327 1.464 ( 0.000 30.603 0.000) 30.603 2.338 ( 0.000 -13.408 0.000) 13.408 2.480 ( 0.000 -16.672 0.000) 16.672 2.751 ( 0.000 52.118 0.000) 52.118 3.159 ( 0.000 -5.539 0.000) 5.539 3.394 ( 0.000 -11.472 0.000) 11.472 3.923 ( 0.000 17.008 0.000) 17.008 4.098 ( 0.000 27.140 0.000) 27.140 4.505 ( 0.000 -23.118 0.000) 23.118 4.803 ( 0.000 -8.917 0.000) 8.917 4.852 ( 0.000 -2.702 0.000) 2.702 4.990 ( 0.000 -18.287 0.000) 18.287 5.093 ( 0.000 -11.417 0.000) 11.417 5.271 ( 0.000 -4.804 0.000) 4.804 5.370 ( 0.000 -6.153 0.000) 6.153 5.423 ( 0.000 20.372 0.000) 20.372 5.580 ( 0.000 7.729 0.000) 7.729 5.610 ( 0.000 4.890 0.000) 4.890 5.877 ( 0.000 -1.341 0.000) 1.341 6.381 ( 0.000 15.554 0.000) 15.554 6.427 ( 0.000 -14.165 0.000) 14.165 6.432 ( 0.000 -12.445 0.000) 12.445 7.001 ( 0.000 -12.311 0.000) 12.311 7.345 ( 0.000 9.290 0.000) 9.290 7.453 ( 0.000 4.922 0.000) 4.922 7.632 ( 0.000 -3.073 0.000) 3.073 7.696 ( 0.000 -5.948 0.000) 5.948 7.739 ( 0.000 29.598 0.000) 29.598 7.810 ( 0.000 11.838 0.000) 11.838 8.153 ( 0.000 6.806 0.000) 6.806 8.509 ( 0.000 -7.196 0.000) 7.196 8.712 ( 0.000 -6.651 0.000) 6.651 8.753 ( 0.000 -19.502 0.000) 19.502 9.779 ( 0.000 13.788 0.000) 13.788 9.939 ( 0.000 5.139 0.000) 5.139 10.346 ( 0.000 -10.579 0.000) 10.579 10.449 ( 0.000 -11.665 0.000) 11.665 10.672 ( 0.000 -4.978 0.000) 4.978 10.677 ( 0.000 -4.273 0.000) 4.273 11.897 ( 0.000 10.518 0.000) 10.518 12.035 ( 0.000 17.476 0.000) 17.476 12.394 ( 0.000 -9.987 0.000) 9.987 12.703 ( 0.000 -10.736 0.000) 10.736 13.079 ( 0.000 9.978 0.000) 9.978 13.202 ( 0.000 12.901 0.000) 12.901 13.545 ( 0.000 -8.848 0.000) 8.848 13.741 ( 0.000 -10.986 0.000) 10.986 15.304 ( 0.000 5.029 0.000) 5.029 15.517 ( 0.000 -4.230 0.000) 4.230 15.694 ( 0.000 27.375 0.000) 27.375 16.059 ( 0.000 12.550 0.000) 12.550 16.180 ( 0.000 -5.274 0.000) 5.274 17.145 ( 0.000 -22.670 0.000) 22.670 17.802 ( 0.000 2.061 0.000) 2.061 17.896 ( 0.000 -1.981 0.000) 1.981 21.268 ( 0.000 9.060 0.000) 9.060 21.714 ( 0.000 -10.145 0.000) 10.145 23.173 ( 0.000 3.390 0.000) 3.390 23.475 ( 0.000 -9.860 0.000) 9.860 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.544 ( 12.841 25.034 0.000) 28.135 1.723 ( 20.958 25.442 0.000) 32.963 2.424 ( 8.443 -14.159 0.000) 16.485 2.581 ( 8.117 -12.269 0.000) 14.711 2.887 ( 14.205 40.105 0.000) 42.546 3.155 ( -0.504 -6.057 0.000) 6.078 3.429 ( 4.358 -9.230 0.000) 10.207 3.780 ( -10.759 15.600 0.000) 18.950 4.101 ( -3.093 22.392 0.000) 22.604 4.374 ( -11.768 -15.282 0.000) 19.288 4.468 ( -23.371 -12.245 0.000) 26.384 4.767 ( -9.308 -7.716 0.000) 12.090 5.060 ( 3.990 -8.113 0.000) 9.042 5.220 ( 9.020 -3.240 0.000) 9.584 5.278 ( 3.381 -3.586 0.000) 4.929 5.320 ( -8.400 20.307 0.000) 21.976 5.578 ( -3.298 5.907 0.000) 6.765 5.585 ( 15.967 -9.405 0.000) 18.531 5.622 ( 1.831 6.045 0.000) 6.317 5.902 ( 3.074 -0.838 0.000) 3.186 6.231 ( -13.673 -3.643 0.000) 14.150 6.422 ( 3.987 15.988 0.000) 16.478 6.485 ( 1.732 -16.873 0.000) 16.962 7.057 ( 5.452 -12.070 0.000) 13.244 7.270 ( -3.499 7.190 0.000) 7.996 7.408 ( 5.838 7.023 0.000) 9.133 7.497 ( 4.020 0.676 0.000) 4.076 7.688 ( -2.275 12.297 0.000) 12.505 7.718 ( -0.623 10.913 0.000) 10.931 8.245 ( 5.641 10.688 0.000) 12.086 8.468 ( 19.692 -3.381 0.000) 19.980 8.661 ( 18.546 -8.026 0.000) 20.208 8.703 ( -5.009 -19.730 0.000) 20.356 8.713 ( 10.617 -8.683 0.000) 13.716 9.713 ( -4.856 8.752 0.000) 10.008 10.034 ( 7.897 11.345 0.000) 13.823 10.134 ( -11.997 -8.430 0.000) 14.663 10.590 ( -8.019 -3.483 0.000) 8.743 10.614 ( -5.358 -4.854 0.000) 7.230 10.692 ( 15.203 -13.552 0.000) 20.366 11.851 ( -4.807 10.748 0.000) 11.774 11.974 ( -5.568 18.542 0.000) 19.360 12.368 ( -3.064 -10.835 0.000) 11.260 12.693 ( -2.503 -13.823 0.000) 14.047 13.043 ( -0.911 15.916 0.000) 15.942 13.199 ( -0.048 13.301 0.000) 13.301 13.600 ( 4.137 -10.455 0.000) 11.244 13.739 ( -0.182 -10.870 0.000) 10.872 15.452 ( 14.695 5.356 0.000) 15.641 15.671 ( 12.880 -4.383 0.000) 13.605 15.737 ( 4.152 27.848 0.000) 28.156 16.088 ( 3.127 11.272 0.000) 11.697 16.226 ( 4.679 -5.073 0.000) 6.901 17.146 ( -0.016 -22.400 0.000) 22.400 17.747 ( -5.350 2.304 0.000) 5.825 17.852 ( -4.470 -2.169 0.000) 4.969 21.298 ( 3.695 6.599 0.000) 7.563 21.736 ( 2.445 -10.815 0.000) 11.088 23.128 ( -4.710 3.543 0.000) 5.894 23.438 ( -3.835 -10.091 0.000) 10.795 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.853 ( 17.469 17.012 0.000) 24.384 2.117 ( 18.724 19.479 0.000) 27.019 2.637 ( 12.555 -16.070 0.000) 20.393 2.713 ( 4.537 -8.656 0.000) 9.773 3.099 ( -1.164 0.435 0.000) 1.243 3.259 ( 14.821 3.192 0.000) 15.161 3.577 ( 10.533 0.976 0.000) 10.578 3.582 ( -8.660 10.560 0.000) 13.657 3.928 ( -15.527 13.362 0.000) 20.485 4.026 ( -19.433 -6.863 0.000) 20.609 4.120 ( -13.090 -6.149 0.000) 14.462 4.521 ( -14.926 -12.189 0.000) 19.271 5.139 ( 4.590 0.436 0.000) 4.611 5.200 ( -1.208 23.181 0.000) 23.213 5.382 ( 6.458 -0.063 0.000) 6.458 5.424 ( 11.036 2.447 0.000) 11.304 5.454 ( -7.267 10.536 0.000) 12.799 5.612 ( -2.710 9.052 0.000) 9.449 5.880 ( 13.286 -8.972 0.000) 16.031 6.007 ( 6.016 -2.306 0.000) 6.443 6.096 ( 1.550 -5.755 0.000) 5.960 6.518 ( 2.623 -17.966 0.000) 18.156 6.522 ( 5.737 16.639 0.000) 17.600 7.191 ( 7.154 -11.152 0.000) 13.249 7.361 ( 6.994 2.998 0.000) 7.610 7.504 ( -0.221 7.567 0.000) 7.571 7.613 ( 7.553 -1.179 0.000) 7.644 7.627 ( -0.100 16.702 0.000) 16.703 7.735 ( 2.294 -0.815 0.000) 2.434 8.275 ( -1.597 4.222 0.000) 4.514 8.545 ( -4.437 -3.932 0.000) 5.928 8.571 ( -7.964 -19.930 0.000) 21.462 8.886 ( 17.907 7.222 0.000) 19.308 9.362 ( 31.956 -13.743 0.000) 34.785 9.624 ( -3.983 5.461 0.000) 6.759 9.922 ( -9.533 -5.125 0.000) 10.823 10.221 ( 11.026 16.116 0.000) 19.527 10.408 ( -9.147 -0.690 0.000) 9.173 10.516 ( -2.919 -5.774 0.000) 6.470 10.998 ( 15.959 -14.408 0.000) 21.501 11.711 ( -9.406 10.512 0.000) 14.106 11.833 ( -8.926 18.768 0.000) 20.782 12.253 ( -9.085 -11.767 0.000) 14.866 12.574 ( -9.203 -14.253 0.000) 16.966 13.094 ( 5.398 16.546 0.000) 17.404 13.215 ( 1.891 13.100 0.000) 13.236 13.671 ( 2.887 -10.489 0.000) 10.879 13.736 ( -0.099 -10.360 0.000) 10.361 15.808 ( 17.433 5.825 0.000) 18.381 15.839 ( 5.723 29.110 0.000) 29.667 15.935 ( 15.598 -0.037 0.000) 15.598 16.194 ( 8.090 7.896 0.000) 11.304 16.363 ( 9.443 -4.677 0.000) 10.538 17.137 ( -1.205 -21.394 0.000) 21.428 17.602 ( -9.526 2.444 0.000) 9.835 17.721 ( -8.997 -2.463 0.000) 9.328 21.436 ( 10.699 2.145 0.000) 10.912 21.828 ( 7.551 -11.788 0.000) 13.999 22.989 ( -9.579 3.763 0.000) 10.292 23.318 ( -8.689 -10.622 0.000) 13.723 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.183 ( 15.779 9.753 0.000) 18.550 2.470 ( 17.526 13.631 0.000) 22.203 2.769 ( 1.410 -3.323 0.000) 3.610 2.882 ( 11.764 -18.497 0.000) 21.921 3.042 ( -2.673 -3.745 0.000) 4.601 3.406 ( 0.541 -15.525 0.000) 15.534 3.449 ( -6.260 10.267 0.000) 12.025 3.591 ( -14.123 1.380 0.000) 14.190 3.692 ( -16.709 2.280 0.000) 16.864 3.742 ( 0.309 3.699 0.000) 3.712 3.912 ( -5.113 -4.753 0.000) 6.981 4.221 ( -15.005 -15.315 0.000) 21.441 5.247 ( 6.190 6.182 0.000) 8.748 5.315 ( 10.576 22.045 0.000) 24.451 5.406 ( 4.054 20.126 0.000) 20.531 5.500 ( 5.266 0.643 0.000) 5.306 5.561 ( -1.109 10.798 0.000) 10.855 5.615 ( 7.709 8.739 0.000) 11.653 6.078 ( 1.898 -1.588 0.000) 2.475 6.088 ( 7.890 -5.585 0.000) 9.667 6.209 ( 6.468 -10.533 0.000) 12.360 6.606 ( 1.133 14.757 0.000) 14.801 6.637 ( 10.562 -17.157 0.000) 20.147 7.246 ( -3.016 0.025 0.000) 3.017 7.422 ( -1.140 6.307 0.000) 6.410 7.428 ( -4.357 4.009 0.000) 5.921 7.671 ( 3.672 -0.526 0.000) 3.710 7.773 ( 7.789 -4.532 0.000) 9.011 7.837 ( 7.352 0.870 0.000) 7.404 8.211 ( -4.825 0.121 0.000) 4.826 8.423 ( -6.370 -18.103 0.000) 19.191 8.437 ( -5.663 -5.795 0.000) 8.103 9.217 ( 14.086 13.904 0.000) 19.792 9.561 ( -2.680 4.429 0.000) 5.177 9.773 ( -5.266 -3.773 0.000) 6.478 9.801 ( 9.907 -11.468 0.000) 15.155 10.309 ( 1.351 3.920 0.000) 4.147 10.448 ( 11.409 20.065 0.000) 23.081 10.604 ( 14.349 -8.500 0.000) 16.678 11.285 ( 10.899 -7.964 0.000) 13.498 11.511 ( -8.759 2.787 0.000) 9.192 11.627 ( -11.875 18.055 0.000) 21.610 12.019 ( -13.969 -11.199 0.000) 17.904 12.358 ( -12.571 -13.985 0.000) 18.805 13.211 ( 5.742 13.278 0.000) 14.466 13.266 ( 2.951 11.543 0.000) 11.914 13.712 ( 1.358 -9.323 0.000) 9.421 13.735 ( -0.044 -9.390 0.000) 9.390 15.940 ( 4.359 28.554 0.000) 28.885 15.994 ( 4.370 13.337 0.000) 14.035 16.338 ( 21.854 -3.397 0.000) 22.116 16.412 ( 14.146 5.237 0.000) 15.084 16.591 ( 13.737 -4.212 0.000) 14.368 17.087 ( -4.172 -19.149 0.000) 19.598 17.375 ( -13.804 2.764 0.000) 14.078 17.503 ( -13.231 -2.645 0.000) 13.493 21.709 ( 16.848 0.084 0.000) 16.848 22.044 ( 14.652 -11.995 0.000) 18.935 22.755 ( -14.327 3.513 0.000) 14.752 23.094 ( -14.366 -11.126 0.000) 18.170 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.456 ( 12.210 3.985 0.000) 12.844 2.645 ( -5.400 1.857 0.000) 5.710 2.881 ( 15.581 12.244 0.000) 19.816 3.049 ( 3.174 -13.258 0.000) 13.633 3.061 ( 4.253 -9.021 0.000) 9.973 3.252 ( -14.384 6.204 0.000) 15.665 3.366 ( -2.612 -12.089 0.000) 12.368 3.378 ( -7.140 3.912 0.000) 8.141 3.519 ( 0.637 -2.100 0.000) 2.195 3.612 ( -7.996 -0.073 0.000) 7.997 3.899 ( 0.806 -12.596 0.000) 12.622 3.979 ( -8.579 -17.401 0.000) 19.401 5.358 ( 4.547 9.473 0.000) 10.508 5.406 ( 0.049 11.920 0.000) 11.920 5.541 ( 3.989 13.698 0.000) 14.267 5.572 ( 1.441 6.786 0.000) 6.937 5.666 ( 8.763 21.877 0.000) 23.566 5.711 ( 2.251 11.510 0.000) 11.728 6.124 ( 4.609 4.071 0.000) 6.150 6.182 ( 1.310 2.196 0.000) 2.557 6.317 ( 5.748 -9.925 0.000) 11.469 6.501 ( -11.187 4.981 0.000) 12.245 6.911 ( 16.053 -15.811 0.000) 22.532 7.172 ( -6.477 -8.433 0.000) 10.634 7.299 ( -4.684 10.943 0.000) 11.903 7.348 ( -5.285 11.508 0.000) 12.664 7.792 ( 7.049 -7.965 0.000) 10.637 7.867 ( 0.710 -8.725 0.000) 8.754 7.975 ( 6.432 0.181 0.000) 6.435 8.096 ( -6.376 -0.139 0.000) 6.378 8.341 ( -1.947 -12.889 0.000) 13.035 8.350 ( -2.808 -8.035 0.000) 8.511 9.409 ( 6.268 11.081 0.000) 12.731 9.501 ( -3.780 6.594 0.000) 7.601 9.738 ( 1.681 -4.904 0.000) 5.184 9.809 ( -4.345 -7.568 0.000) 8.727 10.460 ( 11.235 12.483 0.000) 16.794 10.595 ( 0.844 20.214 0.000) 20.232 11.014 ( 23.539 -10.999 0.000) 25.982 11.269 ( -3.655 13.720 0.000) 14.199 11.398 ( -10.119 14.999 0.000) 18.093 11.441 ( -10.817 -17.187 0.000) 20.308 11.867 ( 5.107 -12.101 0.000) 13.135 12.095 ( -14.000 -14.178 0.000) 19.925 13.296 ( 2.673 10.849 0.000) 11.173 13.310 ( 1.093 10.332 0.000) 10.390 13.728 ( 0.428 -8.395 0.000) 8.406 13.733 ( -0.158 -8.471 0.000) 8.472 16.006 ( 2.458 25.341 0.000) 25.460 16.032 ( 0.021 20.360 0.000) 20.360 16.711 ( 15.803 -9.852 0.000) 18.623 16.726 ( 17.467 4.104 0.000) 17.942 16.880 ( 13.109 -5.663 0.000) 14.280 16.969 ( -5.929 -13.230 0.000) 14.498 17.070 ( -17.088 3.355 0.000) 17.414 17.215 ( -16.021 -2.869 0.000) 16.275 22.068 ( 19.314 0.779 0.000) 19.330 22.383 ( 19.416 -11.702 0.000) 22.670 22.437 ( -18.036 2.404 0.000) 18.195 22.765 ( -18.919 -11.435 0.000) 22.106 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.957 ( 0.000 -22.434 0.000) 22.434 1.957 ( 0.000 22.434 0.000) 22.434 2.044 ( 0.000 -24.314 0.000) 24.314 2.044 ( 0.000 24.314 0.000) 24.314 3.118 ( 0.000 -1.881 0.000) 1.881 3.118 ( 0.000 1.881 0.000) 1.881 3.850 ( 0.000 -38.666 0.000) 38.666 3.850 ( 0.000 38.666 0.000) 38.666 4.311 ( 0.000 -16.569 0.000) 16.569 4.311 ( 0.000 16.569 0.000) 16.569 4.750 ( 0.000 -17.818 0.000) 17.818 4.750 ( 0.000 17.818 0.000) 17.818 4.836 ( 0.000 -1.214 0.000) 1.214 4.836 ( 0.000 1.214 0.000) 1.214 5.266 ( 0.000 -3.127 0.000) 3.127 5.266 ( 0.000 3.127 0.000) 3.127 5.653 ( 0.000 -1.725 0.000) 1.725 5.653 ( 0.000 1.725 0.000) 1.725 5.802 ( 0.000 -9.465 0.000) 9.465 5.802 ( 0.000 9.465 0.000) 9.465 6.245 ( 0.000 -1.465 0.000) 1.465 6.245 ( 0.000 1.465 0.000) 1.465 6.708 ( 0.000 -15.142 0.000) 15.142 6.708 ( 0.000 15.142 0.000) 15.142 7.539 ( 0.000 -8.680 0.000) 8.680 7.539 ( 0.000 8.680 0.000) 8.680 7.553 ( 0.000 -4.407 0.000) 4.407 7.553 ( 0.000 4.407 0.000) 4.407 8.074 ( 0.000 -11.733 0.000) 11.733 8.074 ( 0.000 11.733 0.000) 11.733 8.300 ( 0.000 -23.787 0.000) 23.787 8.300 ( 0.000 23.787 0.000) 23.787 8.545 ( 0.000 -8.194 0.000) 8.194 8.545 ( 0.000 8.194 0.000) 8.194 10.049 ( 0.000 -2.348 0.000) 2.348 10.049 ( 0.000 2.348 0.000) 2.348 10.185 ( 0.000 -4.574 0.000) 4.574 10.185 ( 0.000 4.574 0.000) 4.574 10.623 ( 0.000 -0.386 0.000) 0.386 10.623 ( 0.000 0.386 0.000) 0.386 12.151 ( 0.000 -12.553 0.000) 12.553 12.151 ( 0.000 12.553 0.000) 12.553 12.400 ( 0.000 -16.626 0.000) 16.626 12.400 ( 0.000 16.626 0.000) 16.626 13.324 ( 0.000 -11.808 0.000) 11.808 13.324 ( 0.000 11.808 0.000) 11.808 13.483 ( 0.000 -13.226 0.000) 13.226 13.483 ( 0.000 13.226 0.000) 13.226 15.415 ( 0.000 -5.277 0.000) 5.277 15.415 ( 0.000 5.277 0.000) 5.277 16.041 ( 0.000 -8.543 0.000) 8.543 16.041 ( 0.000 8.543 0.000) 8.543 16.568 ( 0.000 -30.519 0.000) 30.519 16.568 ( 0.000 30.519 0.000) 30.519 17.849 ( 0.000 -2.329 0.000) 2.329 17.849 ( 0.000 2.329 0.000) 2.329 21.485 ( 0.000 -11.107 0.000) 11.107 21.485 ( 0.000 11.107 0.000) 11.107 23.286 ( 0.000 -7.417 0.000) 7.417 23.286 ( 0.000 7.417 0.000) 7.417 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.042 ( 8.250 -21.578 0.000) 23.102 2.042 ( 8.250 21.578 0.000) 23.102 2.217 ( 14.374 -20.947 0.000) 25.405 2.217 ( 14.374 20.947 0.000) 25.405 3.107 ( -0.304 -2.213 0.000) 2.233 3.107 ( -0.304 2.213 0.000) 2.233 3.873 ( 2.047 -31.864 0.000) 31.930 3.873 ( 2.047 31.864 0.000) 31.930 4.128 ( -15.832 -16.614 0.000) 22.949 4.128 ( -15.832 16.614 0.000) 22.949 4.534 ( -12.631 -14.894 0.000) 19.529 4.534 ( -12.631 14.894 0.000) 19.529 5.044 ( 10.022 -6.200 0.000) 11.785 5.044 ( 10.022 6.200 0.000) 11.785 5.395 ( 12.361 -8.464 0.000) 14.982 5.395 ( 12.361 8.464 0.000) 14.982 5.575 ( -5.792 -4.775 0.000) 7.506 5.575 ( -5.792 4.775 0.000) 7.506 5.858 ( 4.479 -8.909 0.000) 9.972 5.858 ( 4.479 8.909 0.000) 9.972 6.179 ( -6.552 -6.843 0.000) 9.473 6.179 ( -6.552 6.843 0.000) 9.473 6.758 ( 4.924 -15.595 0.000) 16.354 6.758 ( 4.924 15.595 0.000) 16.354 7.437 ( -2.223 -6.382 0.000) 6.758 7.437 ( -2.223 6.382 0.000) 6.758 7.567 ( 2.592 -7.425 0.000) 7.864 7.567 ( 2.592 7.425 0.000) 7.864 8.250 ( -5.015 -23.522 0.000) 24.051 8.250 ( -5.015 23.522 0.000) 24.051 8.429 ( 14.962 -4.531 0.000) 15.633 8.429 ( 14.962 4.531 0.000) 15.633 8.567 ( 12.545 -2.649 0.000) 12.822 8.567 ( 12.545 2.649 0.000) 12.822 9.914 ( -8.378 -10.269 0.000) 13.253 9.914 ( -8.378 10.269 0.000) 13.253 10.357 ( 12.257 -16.822 0.000) 20.813 10.357 ( 12.257 16.822 0.000) 20.813 10.555 ( -6.273 -0.606 0.000) 6.302 10.555 ( -6.273 0.606 0.000) 6.302 12.113 ( -4.151 -13.021 0.000) 13.666 12.113 ( -4.151 13.021 0.000) 13.666 12.358 ( -4.453 -17.527 0.000) 18.084 12.358 ( -4.453 17.527 0.000) 18.084 13.351 ( 2.645 -13.296 0.000) 13.556 13.351 ( 2.645 13.296 0.000) 13.556 13.482 ( 0.065 -13.204 0.000) 13.204 13.482 ( 0.065 13.204 0.000) 13.204 15.566 ( 14.316 -5.382 0.000) 15.294 15.566 ( 14.316 5.382 0.000) 15.294 16.090 ( 5.017 -8.325 0.000) 9.720 16.090 ( 5.017 8.325 0.000) 9.720 16.576 ( 0.780 -30.082 0.000) 30.093 16.576 ( 0.780 30.082 0.000) 30.093 17.801 ( -4.904 -2.618 0.000) 5.559 17.801 ( -4.904 2.618 0.000) 5.559 21.496 ( 1.677 -11.229 0.000) 11.353 21.496 ( 1.677 11.229 0.000) 11.353 23.245 ( -4.324 -7.655 0.000) 8.792 23.245 ( -4.324 7.655 0.000) 8.792 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.248 ( 12.041 -19.706 0.000) 23.093 2.248 ( 12.041 19.706 0.000) 23.093 2.477 ( 11.273 -14.176 0.000) 18.112 2.477 ( 11.273 14.176 0.000) 18.112 3.119 ( 0.643 -5.749 0.000) 5.785 3.119 ( 0.643 5.749 0.000) 5.785 3.805 ( -15.478 -10.403 0.000) 18.649 3.805 ( -15.478 10.403 0.000) 18.649 3.902 ( -0.169 -15.529 0.000) 15.530 3.902 ( -0.169 15.529 0.000) 15.530 4.253 ( -16.478 -13.568 0.000) 21.345 4.253 ( -16.478 13.568 0.000) 21.345 5.217 ( 8.591 -6.779 0.000) 10.943 5.217 ( 8.591 6.779 0.000) 10.943 5.514 ( 0.956 -7.334 0.000) 7.396 5.514 ( 0.956 7.334 0.000) 7.396 5.666 ( 13.666 -11.608 0.000) 17.931 5.666 ( 13.666 11.608 0.000) 17.931 5.916 ( 0.559 -13.152 0.000) 13.164 5.916 ( 0.559 13.152 0.000) 13.164 6.087 ( 0.066 -16.274 0.000) 16.274 6.087 ( 0.066 16.274 0.000) 16.274 6.880 ( 6.784 -16.775 0.000) 18.094 6.880 ( 6.784 16.775 0.000) 18.094 7.506 ( 6.708 -7.964 0.000) 10.413 7.506 ( 6.708 7.964 0.000) 10.413 7.618 ( 1.713 -5.053 0.000) 5.335 7.618 ( 1.713 5.053 0.000) 5.335 8.125 ( -6.752 -22.373 0.000) 23.369 8.125 ( -6.752 22.373 0.000) 23.369 8.409 ( -5.226 -7.786 0.000) 9.377 8.409 ( -5.226 7.786 0.000) 9.377 9.097 ( 28.153 -11.663 0.000) 30.473 9.097 ( 28.153 11.663 0.000) 30.473 9.767 ( -6.508 -7.837 0.000) 10.187 9.767 ( -6.508 7.837 0.000) 10.187 10.425 ( -5.460 -2.696 0.000) 6.089 10.425 ( -5.460 2.696 0.000) 6.089 10.620 ( 14.448 -19.864 0.000) 24.563 10.620 ( 14.448 19.864 0.000) 24.563 11.981 ( -9.442 -13.694 0.000) 16.634 11.981 ( -9.442 13.694 0.000) 16.634 12.226 ( -8.985 -18.111 0.000) 20.217 12.226 ( -8.985 18.111 0.000) 20.217 13.416 ( 3.740 -13.752 0.000) 14.251 13.416 ( 3.740 13.752 0.000) 14.251 13.490 ( 0.832 -12.700 0.000) 12.727 13.490 ( 0.832 12.700 0.000) 12.727 15.902 ( 18.217 -3.117 0.000) 18.482 15.902 ( 18.217 3.117 0.000) 18.482 16.236 ( 9.918 -8.032 0.000) 12.763 16.236 ( 9.918 8.032 0.000) 12.763 16.594 ( 0.906 -28.362 0.000) 28.376 16.594 ( 0.906 28.362 0.000) 28.376 17.662 ( -9.297 -3.021 0.000) 9.775 17.662 ( -9.297 3.021 0.000) 9.775 21.581 ( 7.735 -10.522 0.000) 13.059 21.581 ( 7.735 10.522 0.000) 13.059 23.114 ( -9.282 -8.147 0.000) 12.350 23.114 ( -9.282 8.147 0.000) 12.350 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.478 ( 10.915 -17.820 0.000) 20.897 2.478 ( 10.915 17.820 0.000) 20.897 2.680 ( 9.782 -6.518 0.000) 11.755 2.680 ( 9.782 6.518 0.000) 11.755 3.099 ( -2.067 -10.616 0.000) 10.815 3.099 ( -2.067 10.616 0.000) 10.815 3.570 ( -8.107 -2.891 0.000) 8.607 3.570 ( -8.107 2.891 0.000) 8.607 3.836 ( -6.414 -3.731 0.000) 7.420 3.836 ( -6.414 3.731 0.000) 7.420 3.904 ( -18.577 -14.383 0.000) 23.494 3.904 ( -18.577 14.383 0.000) 23.494 5.385 ( 8.395 -6.756 0.000) 10.776 5.385 ( 8.395 6.756 0.000) 10.776 5.584 ( 3.616 -5.172 0.000) 6.311 5.584 ( 3.616 5.172 0.000) 6.311 5.892 ( 9.214 -12.283 0.000) 15.355 5.892 ( 9.214 12.283 0.000) 15.355 5.978 ( 7.121 -11.534 0.000) 13.556 5.978 ( 7.121 11.534 0.000) 13.556 6.159 ( 7.301 -17.211 0.000) 18.696 6.159 ( 7.301 17.211 0.000) 18.696 6.971 ( 0.471 -18.009 0.000) 18.015 6.971 ( 0.471 18.009 0.000) 18.015 7.598 ( -3.216 -6.579 0.000) 7.323 7.598 ( -3.216 6.579 0.000) 7.323 7.618 ( 3.554 -9.921 0.000) 10.539 7.618 ( 3.554 9.921 0.000) 10.539 8.047 ( -0.242 -16.578 0.000) 16.580 8.047 ( -0.242 16.578 0.000) 16.580 8.294 ( -6.131 -6.758 0.000) 9.125 8.294 ( -6.131 6.758 0.000) 9.125 9.523 ( 13.256 -14.458 0.000) 19.615 9.523 ( 13.256 14.458 0.000) 19.615 9.667 ( -3.653 -5.459 0.000) 6.569 9.667 ( -3.653 5.459 0.000) 6.569 10.432 ( 8.614 -7.436 0.000) 11.380 10.432 ( 8.614 7.436 0.000) 11.380 10.902 ( 13.503 -21.805 0.000) 25.647 10.902 ( 13.503 21.805 0.000) 25.647 11.753 ( -13.179 -13.641 0.000) 18.968 11.753 ( -13.179 13.641 0.000) 18.968 12.014 ( -12.529 -18.016 0.000) 21.944 12.014 ( -12.529 18.016 0.000) 21.944 13.485 ( 2.998 -12.173 0.000) 12.537 13.485 ( 2.998 12.173 0.000) 12.537 13.513 ( 1.300 -11.458 0.000) 11.531 13.513 ( 1.300 11.458 0.000) 11.531 16.222 ( 13.866 -8.043 0.000) 16.030 16.222 ( 13.866 8.043 0.000) 16.030 16.461 ( 11.697 -11.609 0.000) 16.480 16.461 ( 11.697 11.609 0.000) 16.480 16.614 ( 2.276 -21.270 0.000) 21.392 16.614 ( 2.276 21.270 0.000) 21.392 17.440 ( -13.433 -3.241 0.000) 13.818 17.440 ( -13.433 3.241 0.000) 13.818 21.809 ( 15.520 -8.999 0.000) 17.940 21.809 ( 15.520 8.999 0.000) 17.940 22.880 ( -14.666 -8.421 0.000) 16.911 22.880 ( -14.666 8.421 0.000) 16.911 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.662 ( 7.991 -15.568 0.000) 17.499 2.662 ( 7.991 15.568 0.000) 17.499 2.777 ( -2.140 -11.088 0.000) 11.293 2.777 ( -2.140 11.088 0.000) 11.293 3.156 ( 10.822 -10.681 0.000) 15.205 3.156 ( 10.822 10.681 0.000) 15.205 3.428 ( -11.994 -2.736 0.000) 12.302 3.428 ( -11.994 2.736 0.000) 12.302 3.622 ( -4.416 -15.556 0.000) 16.171 3.622 ( -4.416 15.556 0.000) 16.171 3.690 ( -7.328 -7.117 0.000) 10.215 3.690 ( -7.328 7.117 0.000) 10.215 5.529 ( 5.915 -6.404 0.000) 8.718 5.529 ( 5.915 6.404 0.000) 8.718 5.603 ( -1.542 -5.669 0.000) 5.875 5.603 ( -1.542 5.669 0.000) 5.875 6.024 ( 4.347 -13.720 0.000) 14.392 6.024 ( 4.347 13.720 0.000) 14.392 6.063 ( 0.498 -13.965 0.000) 13.974 6.063 ( 0.498 13.965 0.000) 13.974 6.447 ( 20.335 -24.074 0.000) 31.513 6.447 ( 20.335 24.074 0.000) 31.513 6.823 ( -15.556 -19.916 0.000) 25.271 6.823 ( -15.556 19.916 0.000) 25.271 7.578 ( 1.983 -12.385 0.000) 12.543 7.578 ( 1.983 12.385 0.000) 12.543 7.630 ( -1.946 -13.383 0.000) 13.524 7.630 ( -1.946 13.383 0.000) 13.524 8.093 ( 3.968 -9.832 0.000) 10.603 8.093 ( 3.968 9.832 0.000) 10.603 8.182 ( -5.151 -7.091 0.000) 8.764 8.182 ( -5.151 7.091 0.000) 8.764 9.627 ( -0.537 -5.559 0.000) 5.585 9.627 ( -0.537 5.559 0.000) 5.585 9.628 ( 0.424 -9.588 0.000) 9.598 9.628 ( 0.424 9.588 0.000) 9.598 10.742 ( 19.679 -13.755 0.000) 24.010 10.742 ( 19.679 13.755 0.000) 24.010 11.035 ( -4.981 -20.683 0.000) 21.274 11.035 ( -4.981 20.683 0.000) 21.274 11.578 ( 0.450 -14.764 0.000) 14.771 11.578 ( 0.450 14.764 0.000) 14.771 11.755 ( -13.283 -17.445 0.000) 21.926 11.755 ( -13.283 17.445 0.000) 21.926 13.526 ( 1.221 -10.563 0.000) 10.634 13.526 ( 1.221 10.563 0.000) 10.634 13.532 ( 0.520 -10.355 0.000) 10.368 13.532 ( 0.520 10.355 0.000) 10.368 16.432 ( 7.806 -16.637 0.000) 18.377 16.432 ( 7.806 16.637 0.000) 18.377 16.533 ( -2.517 -23.110 0.000) 23.247 16.533 ( -2.517 23.110 0.000) 23.247 16.819 ( 16.193 -4.549 0.000) 16.820 16.819 ( 16.193 4.549 0.000) 16.820 17.145 ( -16.456 -3.590 0.000) 16.843 17.145 ( -16.456 3.590 0.000) 16.843 22.162 ( 19.856 -8.166 0.000) 21.470 22.162 ( 19.856 8.166 0.000) 21.470 22.549 ( -18.997 -8.263 0.000) 20.716 22.549 ( -18.997 8.263 0.000) 20.716 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.689 ( 0.000 0.000 33.624) 33.624 0.769 ( 0.000 0.000 36.852) 36.852 1.256 ( 0.000 0.000 60.734) 60.734 2.634 ( 0.000 0.000 7.247) 7.247 2.743 ( 0.000 0.000 9.809) 9.809 3.311 ( 0.000 0.000 -2.890) 2.890 3.383 ( 0.000 0.000 0.661) 0.661 3.528 ( 0.000 0.000 -6.014) 6.014 3.941 ( 0.000 0.000 1.785) 1.785 4.262 ( 0.000 0.000 2.867) 2.867 4.611 ( 0.000 0.000 -26.002) 26.002 4.727 ( 0.000 0.000 -17.401) 17.401 4.783 ( 0.000 0.000 -11.616) 11.616 5.187 ( 0.000 0.000 -9.015) 9.015 5.263 ( 0.000 0.000 -6.234) 6.234 5.488 ( 0.000 0.000 -0.476) 0.476 5.623 ( 0.000 0.000 13.253) 13.253 5.645 ( 0.000 0.000 -0.075) 0.075 5.761 ( 0.000 0.000 2.590) 2.590 6.117 ( 0.000 0.000 15.485) 15.485 6.334 ( 0.000 0.000 0.961) 0.961 6.467 ( 0.000 0.000 9.980) 9.980 6.539 ( 0.000 0.000 -4.810) 4.810 7.041 ( 0.000 0.000 -4.015) 4.015 7.075 ( 0.000 0.000 20.195) 20.195 7.285 ( 0.000 0.000 -4.672) 4.672 7.315 ( 0.000 0.000 4.023) 4.023 7.603 ( 0.000 0.000 -7.140) 7.140 7.707 ( 0.000 0.000 12.909) 12.909 7.840 ( 0.000 0.000 -4.693) 4.693 8.089 ( 0.000 0.000 -1.382) 1.382 8.711 ( 0.000 0.000 -12.539) 12.539 8.993 ( 0.000 0.000 18.604) 18.604 9.240 ( 0.000 0.000 -3.260) 3.260 9.592 ( 0.000 0.000 3.401) 3.401 9.601 ( 0.000 0.000 13.133) 13.133 10.160 ( 0.000 0.000 -5.051) 5.051 10.546 ( 0.000 0.000 -6.649) 6.649 10.762 ( 0.000 0.000 -5.332) 5.332 10.851 ( 0.000 0.000 -6.997) 6.997 11.505 ( 0.000 0.000 -1.797) 1.797 11.703 ( 0.000 0.000 -2.799) 2.799 12.473 ( 0.000 0.000 -12.347) 12.347 12.806 ( 0.000 0.000 -6.014) 6.014 13.165 ( 0.000 0.000 7.547) 7.547 13.838 ( 0.000 0.000 8.509) 8.509 13.864 ( 0.000 0.000 6.769) 6.769 14.047 ( 0.000 0.000 3.521) 3.521 14.942 ( 0.000 0.000 5.734) 5.734 15.179 ( 0.000 0.000 5.915) 5.915 15.681 ( 0.000 0.000 6.847) 6.847 15.764 ( 0.000 0.000 -0.085) 0.085 15.962 ( 0.000 0.000 9.756) 9.756 17.609 ( 0.000 0.000 -0.477) 0.477 17.691 ( 0.000 0.000 -6.215) 6.215 17.877 ( 0.000 0.000 -6.354) 6.354 21.327 ( 0.000 0.000 5.283) 5.283 21.997 ( 0.000 0.000 4.208) 4.208 23.070 ( 0.000 0.000 -5.394) 5.394 23.711 ( 0.000 0.000 -3.480) 3.480 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.972 ( 24.302 0.000 21.167) 32.227 1.059 ( 23.853 0.000 24.359) 34.093 1.770 ( 44.526 0.000 40.075) 59.904 2.728 ( 9.521 0.000 5.499) 10.995 2.899 ( 11.792 0.000 7.916) 14.202 3.296 ( -1.646 0.000 -3.007) 3.428 3.408 ( 0.543 0.000 -2.349) 2.411 3.524 ( -0.473 0.000 -2.930) 2.968 3.905 ( -1.299 0.000 1.469) 1.961 4.202 ( -5.332 0.000 -2.046) 5.711 4.464 ( -10.724 0.000 -21.797) 24.292 4.538 ( -16.961 0.000 -15.324) 22.859 4.827 ( 3.676 0.000 -9.527) 10.212 5.146 ( -6.092 0.000 -3.791) 7.175 5.245 ( -7.842 0.000 3.326) 8.518 5.457 ( -0.743 0.000 -8.149) 8.183 5.516 ( 6.729 0.000 -9.348) 11.518 5.709 ( -9.046 0.000 3.273) 9.620 5.829 ( 8.340 0.000 8.911) 12.205 6.029 ( -21.681 0.000 20.975) 30.166 6.206 ( 5.285 0.000 13.581) 14.573 6.386 ( 1.571 0.000 6.944) 7.120 6.542 ( 6.104 0.000 7.944) 10.019 7.002 ( -3.888 0.000 10.722) 11.405 7.072 ( 3.286 0.000 -8.316) 8.941 7.279 ( 0.042 0.000 -2.194) 2.194 7.491 ( 16.632 0.000 4.513) 17.233 7.515 ( 9.005 0.000 5.763) 10.691 7.625 ( 1.854 0.000 -7.110) 7.348 8.051 ( 4.024 0.000 9.713) 10.514 8.672 ( 4.355 0.000 -14.664) 15.296 8.724 ( 7.889 0.000 -10.335) 13.002 9.208 ( -3.326 0.000 -2.653) 4.255 9.242 ( 24.228 0.000 -12.431) 27.231 9.617 ( 1.902 0.000 12.676) 12.818 9.713 ( 12.263 0.000 2.984) 12.621 10.019 ( -11.297 0.000 -7.018) 13.299 10.620 ( -2.596 0.000 -3.189) 4.112 10.760 ( 6.856 0.000 -5.929) 9.064 10.821 ( -2.922 0.000 -6.104) 6.767 11.425 ( -6.167 0.000 1.435) 6.332 11.649 ( -5.066 0.000 -3.959) 6.430 12.480 ( 0.707 0.000 -9.534) 9.560 12.741 ( -6.616 0.000 -5.431) 8.560 13.080 ( -12.755 0.000 19.696) 23.465 13.230 ( -14.253 0.000 30.474) 33.643 13.910 ( 0.937 0.000 1.626) 1.877 14.075 ( -0.618 0.000 3.861) 3.910 14.974 ( 3.593 0.000 3.993) 5.372 15.280 ( 9.036 0.000 1.227) 9.119 15.759 ( -0.330 0.000 -0.507) 0.605 16.024 ( 16.053 0.000 -14.475) 21.616 16.047 ( 8.938 0.000 12.953) 15.738 17.527 ( -7.369 0.000 -7.670) 10.636 17.710 ( 0.756 0.000 -0.007) 0.756 17.824 ( -5.563 0.000 -7.684) 9.486 21.534 ( 12.639 0.000 3.948) 13.241 22.033 ( 3.877 0.000 4.480) 5.924 23.024 ( -4.746 0.000 -5.213) 7.050 23.681 ( -3.215 0.000 -3.376) 4.662 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.495 ( 27.499 0.000 9.144) 28.979 1.568 ( 26.803 0.000 10.628) 28.833 2.711 ( 47.622 0.000 22.545) 52.689 2.963 ( 11.058 0.000 2.673) 11.376 3.014 ( -0.529 0.000 2.819) 2.869 3.250 ( -2.198 0.000 -2.302) 3.182 3.353 ( -6.221 0.000 -0.758) 6.267 3.521 ( 0.126 0.000 -1.963) 1.967 4.002 ( 9.445 0.000 -1.236) 9.525 4.042 ( -10.281 0.000 -16.469) 19.414 4.148 ( -19.110 0.000 -9.131) 21.179 4.330 ( -2.068 0.000 -12.590) 12.758 4.901 ( 2.085 0.000 -6.008) 6.360 4.993 ( -8.482 0.000 1.939) 8.701 5.019 ( -10.118 0.000 1.706) 10.261 5.432 ( -15.389 0.000 9.831) 18.262 5.550 ( 6.886 0.000 -14.406) 15.967 5.667 ( 2.842 0.000 -0.828) 2.960 5.780 ( -4.254 0.000 6.640) 7.886 5.968 ( 5.813 0.000 8.490) 10.289 6.248 ( 0.693 0.000 3.742) 3.805 6.545 ( 12.539 0.000 8.626) 15.219 6.634 ( 2.372 0.000 4.213) 4.834 6.957 ( -0.934 0.000 10.835) 10.875 7.133 ( 1.237 0.000 -17.532) 17.575 7.325 ( 3.899 0.000 -7.032) 8.041 7.621 ( 2.370 0.000 -1.570) 2.843 7.810 ( 14.818 0.000 2.188) 14.978 7.848 ( 18.827 0.000 6.475) 19.909 8.118 ( 1.759 0.000 8.047) 8.237 8.676 ( 0.914 0.000 -3.637) 3.750 8.790 ( 0.594 0.000 2.425) 2.496 9.114 ( -6.167 0.000 -2.001) 6.484 9.509 ( 0.389 0.000 -12.484) 12.490 9.675 ( 4.161 0.000 12.347) 13.029 9.840 ( -3.649 0.000 -11.221) 11.799 10.042 ( 19.288 0.000 2.010) 19.392 10.448 ( -9.774 0.000 7.010) 12.028 10.758 ( -2.094 0.000 -3.974) 4.491 10.945 ( 5.028 0.000 -8.932) 10.250 11.325 ( -4.058 0.000 2.424) 4.727 11.555 ( -1.591 0.000 -8.322) 8.473 12.502 ( 0.737 0.000 -9.038) 9.068 12.551 ( -12.700 0.000 -4.340) 13.421 12.955 ( 1.219 0.000 18.900) 18.940 13.141 ( -1.240 0.000 16.435) 16.481 13.927 ( 0.720 0.000 1.459) 1.627 14.046 ( -2.044 0.000 3.585) 4.127 15.081 ( 6.930 0.000 1.746) 7.147 15.464 ( 7.782 0.000 -7.318) 10.682 15.776 ( 3.578 0.000 -4.111) 5.449 16.261 ( 10.633 0.000 -15.486) 18.785 16.317 ( 18.498 0.000 18.208) 25.956 17.333 ( -12.462 0.000 -14.477) 19.101 17.661 ( -10.957 0.000 -11.094) 15.592 17.701 ( -1.903 0.000 4.454) 4.844 21.746 ( 10.070 0.000 8.372) 13.095 22.157 ( 9.102 0.000 4.869) 10.322 22.890 ( -8.858 0.000 -4.509) 9.940 23.578 ( -7.595 0.000 -2.898) 8.129 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.997 ( 23.127 0.000 2.332) 23.244 2.070 ( 24.234 0.000 3.259) 24.452 2.893 ( -7.624 0.000 -3.621) 8.440 3.021 ( -5.913 0.000 3.412) 6.826 3.153 ( -11.540 0.000 1.341) 11.617 3.351 ( 8.355 0.000 -1.117) 8.430 3.477 ( 19.556 0.000 8.018) 21.136 3.521 ( 0.789 0.000 -2.010) 2.159 3.753 ( -11.775 0.000 -8.547) 14.550 3.943 ( 7.419 0.000 -15.848) 17.499 4.258 ( 6.191 0.000 -0.989) 6.269 4.346 ( 2.584 0.000 -10.598) 10.908 4.804 ( -3.315 0.000 -3.515) 4.831 4.839 ( -6.397 0.000 5.581) 8.489 5.011 ( 2.505 0.000 -5.245) 5.812 5.179 ( -10.382 0.000 8.806) 13.614 5.575 ( -5.694 0.000 21.408) 22.152 5.690 ( 7.329 0.000 -14.261) 16.034 5.766 ( -4.459 0.000 -2.437) 5.082 6.035 ( 0.391 0.000 2.752) 2.779 6.341 ( 9.839 0.000 -10.133) 14.124 6.658 ( 1.550 0.000 7.021) 7.190 6.796 ( 11.499 0.000 4.879) 12.492 6.932 ( -2.615 0.000 14.300) 14.537 7.094 ( -4.044 0.000 -20.434) 20.830 7.377 ( -0.196 0.000 -5.516) 5.519 7.703 ( 6.508 0.000 -6.296) 9.055 8.054 ( 2.968 0.000 -3.311) 4.446 8.132 ( 6.645 0.000 10.547) 12.465 8.201 ( 17.200 0.000 4.896) 17.883 8.669 ( -3.675 0.000 12.990) 13.500 8.845 ( 6.519 0.000 -5.513) 8.538 8.970 ( -8.666 0.000 -1.288) 8.761 9.369 ( -10.249 0.000 -5.154) 11.472 9.787 ( 7.439 0.000 11.304) 13.532 9.875 ( 4.992 0.000 -7.523) 9.029 10.282 ( 0.860 0.000 3.088) 3.206 10.309 ( -4.763 0.000 11.872) 12.792 10.883 ( 18.318 0.000 -2.656) 18.509 10.900 ( -6.167 0.000 -8.262) 10.310 11.189 ( -10.112 0.000 2.777) 10.487 11.696 ( 13.816 0.000 -11.394) 17.908 12.249 ( -18.276 0.000 -3.527) 18.613 12.455 ( -6.255 0.000 -11.950) 13.488 13.044 ( 6.378 0.000 12.902) 14.392 13.153 ( 2.031 0.000 14.736) 14.875 13.935 ( 0.086 0.000 1.188) 1.191 14.001 ( -2.448 0.000 2.728) 3.665 15.223 ( 7.222 0.000 0.829) 7.270 15.522 ( -1.235 0.000 -4.197) 4.375 15.957 ( 14.542 0.000 -16.428) 21.940 16.485 ( 12.876 0.000 -16.921) 21.263 16.729 ( 22.325 0.000 17.843) 28.579 17.044 ( -16.976 0.000 -19.491) 25.847 17.405 ( -15.081 0.000 -15.042) 21.300 17.624 ( -6.306 0.000 7.300) 9.647 21.952 ( 11.279 0.000 7.316) 13.444 22.392 ( 14.893 0.000 4.454) 15.545 22.686 ( -11.771 0.000 -2.898) 12.122 23.378 ( -12.970 0.000 -1.694) 13.080 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.379 ( 16.363 0.000 -1.423) 16.425 2.506 ( 20.512 0.000 0.273) 20.513 2.672 ( -14.245 0.000 -3.897) 14.769 2.870 ( -16.839 0.000 -0.441) 16.844 3.018 ( 7.248 0.000 1.142) 7.338 3.242 ( -13.408 0.000 -1.926) 13.546 3.522 ( 1.055 0.000 -3.960) 4.098 3.559 ( -2.391 0.000 -3.954) 4.621 3.864 ( 15.783 0.000 -4.931) 16.536 4.164 ( -12.938 0.000 -2.826) 13.243 4.260 ( 12.959 0.000 -7.861) 15.156 4.381 ( -0.863 0.000 -7.986) 8.033 4.823 ( 6.776 0.000 7.349) 9.996 4.886 ( 8.226 0.000 -7.106) 10.871 5.005 ( -8.827 0.000 6.002) 10.675 5.010 ( -3.320 0.000 -6.947) 7.700 5.517 ( 0.588 0.000 20.332) 20.340 5.615 ( -8.602 0.000 11.620) 14.457 5.837 ( 7.732 0.000 -10.769) 13.257 5.976 ( -5.870 0.000 -5.175) 7.826 6.586 ( 13.719 0.000 -18.257) 22.837 6.727 ( 5.428 0.000 13.759) 14.791 6.827 ( -9.258 0.000 -16.302) 18.747 6.845 ( -5.897 0.000 15.872) 16.932 7.136 ( 9.126 0.000 -2.889) 9.573 7.305 ( -6.812 0.000 -2.520) 7.264 7.846 ( 7.300 0.000 -9.575) 12.041 7.976 ( -6.024 0.000 -8.369) 10.311 8.347 ( 11.053 0.000 13.625) 17.545 8.514 ( 14.760 0.000 2.362) 14.948 8.542 ( -8.662 0.000 15.329) 17.607 8.772 ( -11.720 0.000 0.153) 11.721 9.004 ( 8.762 0.000 -6.259) 10.768 9.177 ( -9.220 0.000 -5.115) 10.544 9.962 ( 10.190 0.000 9.181) 13.716 10.016 ( 9.276 0.000 1.226) 9.357 10.163 ( -9.747 0.000 6.119) 11.509 10.199 ( -7.990 0.000 8.963) 12.008 10.843 ( 2.320 0.000 -4.382) 4.958 10.979 ( -10.243 0.000 0.797) 10.274 11.353 ( 26.260 0.000 -2.684) 26.397 11.842 ( -23.306 0.000 -3.039) 23.503 11.992 ( 15.348 0.000 -10.969) 18.865 12.267 ( -12.413 0.000 -11.376) 16.837 13.155 ( 4.091 0.000 11.200) 11.924 13.188 ( 0.590 0.000 12.014) 12.029 13.937 ( 0.418 0.000 1.122) 1.197 13.958 ( -1.764 0.000 1.750) 2.485 15.354 ( 6.139 0.000 -0.052) 6.139 15.459 ( -4.603 0.000 -1.436) 4.822 16.296 ( 19.353 0.000 -22.252) 29.491 16.683 ( -19.707 0.000 -22.439) 29.864 16.766 ( 15.823 0.000 -18.233) 24.141 17.089 ( -16.859 0.000 -17.738) 24.472 17.139 ( 18.851 0.000 13.890) 23.416 17.444 ( -12.381 0.000 10.151) 16.010 22.187 ( 12.761 0.000 3.686) 13.283 22.441 ( -13.090 0.000 -0.094) 13.090 22.722 ( 18.366 0.000 2.753) 18.571 23.078 ( -17.424 0.000 0.361) 17.428 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.070 ( 0.000 23.852 24.984) 34.542 1.112 ( 0.000 24.950 24.555) 35.006 1.813 ( 0.000 46.594 33.940) 57.645 2.605 ( 0.000 -3.837 7.135) 8.101 2.780 ( 0.000 -3.844 4.611) 6.003 3.294 ( 0.000 -6.966 -0.577) 6.990 3.520 ( 0.000 17.918 -4.497) 18.474 3.525 ( 0.000 -2.581 -6.524) 7.016 3.864 ( 0.000 -13.730 2.901) 14.033 4.341 ( 0.000 22.813 -22.914) 32.334 4.518 ( 0.000 -7.275 -23.246) 24.357 4.777 ( 0.000 -1.945 -11.761) 11.920 4.821 ( 0.000 1.283 -10.032) 10.114 5.149 ( 0.000 -3.139 -8.511) 9.071 5.335 ( 0.000 1.615 -5.610) 5.838 5.468 ( 0.000 -9.288 3.076) 9.784 5.516 ( 0.000 3.328 1.471) 3.639 5.678 ( 0.000 -15.340 5.826) 16.409 5.840 ( 0.000 7.575 12.047) 14.231 5.952 ( 0.000 -4.756 4.691) 6.680 6.158 ( 0.000 3.131 10.042) 10.519 6.582 ( 0.000 -1.804 -6.652) 6.892 6.919 ( 0.000 -6.460 11.522) 13.209 7.051 ( 0.000 25.712 -1.855) 25.779 7.185 ( 0.000 8.193 8.760) 11.994 7.241 ( 0.000 0.407 0.423) 0.587 7.410 ( 0.000 9.641 5.646) 11.172 7.577 ( 0.000 -7.574 -4.698) 8.913 7.751 ( 0.000 4.297 11.549) 12.323 7.767 ( 0.000 -1.833 -7.965) 8.173 8.068 ( 0.000 0.787 4.812) 4.876 8.686 ( 0.000 -2.457 -12.030) 12.278 8.752 ( 0.000 -11.524 13.100) 17.448 9.089 ( 0.000 -13.242 -2.422) 13.461 9.683 ( 0.000 7.726 13.079) 15.191 9.786 ( 0.000 6.305 -3.743) 7.332 10.414 ( 0.000 14.183 -7.662) 16.121 10.460 ( 0.000 -7.459 -6.984) 10.219 10.722 ( 0.000 -3.281 -5.235) 6.178 10.772 ( 0.000 -5.954 -4.511) 7.470 11.661 ( 0.000 12.820 -3.301) 13.238 11.705 ( 0.000 0.194 -2.666) 2.674 12.419 ( 0.000 -5.051 -12.075) 13.089 12.743 ( 0.000 -5.908 -7.573) 9.604 13.149 ( 0.000 1.849 10.316) 10.480 13.463 ( 0.000 -12.282 30.497) 32.877 13.794 ( 0.000 -4.167 8.891) 9.819 13.975 ( 0.000 -6.330 3.935) 7.453 15.184 ( 0.000 21.628 5.358) 22.281 15.268 ( 0.000 4.284 5.551) 7.012 15.655 ( 0.000 -2.411 6.765) 7.182 16.003 ( 0.000 3.805 9.355) 10.099 16.101 ( 0.000 12.930 -9.804) 16.227 17.488 ( 0.000 -10.962 -0.430) 10.970 17.704 ( 0.000 1.211 -6.210) 6.327 17.865 ( 0.000 -1.096 -6.329) 6.423 21.216 ( 0.000 -2.645 7.702) 8.144 21.922 ( 0.000 -6.877 3.383) 7.664 23.080 ( 0.000 1.042 -5.222) 5.325 23.629 ( 0.000 -7.356 -3.685) 8.227 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.286 ( 18.335 19.149 20.483) 33.503 1.346 ( 19.612 23.196 15.247) 33.987 2.129 ( 30.852 33.854 26.916) 53.127 2.693 ( 8.603 -4.510 5.535) 11.180 2.861 ( 6.978 -5.272 5.833) 10.512 3.299 ( -0.727 -6.712 -2.074) 7.063 3.448 ( -3.526 7.869 -2.543) 8.990 3.587 ( 2.237 6.016 -6.419) 9.078 3.862 ( -0.098 -13.708 1.268) 13.767 4.273 ( -4.690 18.140 -15.380) 24.241 4.411 ( -11.007 -0.071 -19.714) 22.579 4.611 ( -17.208 0.734 -7.732) 18.879 4.786 ( 0.088 -3.125 -9.370) 9.878 5.118 ( -3.976 -1.360 -5.493) 6.916 5.331 ( -6.253 -4.815 -2.280) 8.215 5.390 ( 3.913 1.713 -4.779) 6.410 5.528 ( -2.781 -5.026 -4.284) 7.166 5.687 ( -0.007 0.096 6.516) 6.517 5.870 ( -0.693 2.719 5.500) 6.174 6.027 ( 7.462 -6.600 6.973) 12.159 6.207 ( -11.410 5.370 13.988) 18.833 6.246 ( -1.541 4.706 9.727) 10.915 6.938 ( -2.987 -4.178 11.881) 12.944 7.027 ( -3.220 9.059 -8.240) 12.662 7.116 ( 3.661 17.413 1.151) 17.831 7.280 ( 0.101 -0.877 -0.280) 0.926 7.407 ( 11.078 -0.955 10.238) 15.115 7.541 ( 7.609 3.400 5.374) 9.917 7.717 ( 5.782 3.353 -3.484) 7.537 8.098 ( 6.120 4.593 4.900) 9.086 8.626 ( 12.696 -4.696 -15.222) 20.370 8.674 ( 5.616 -4.165 -8.034) 10.651 8.865 ( 24.769 -19.307 5.380) 31.862 9.051 ( -3.730 -13.332 -1.916) 13.976 9.669 ( -1.418 4.615 10.077) 11.174 9.823 ( 3.277 7.385 -0.231) 8.082 10.207 ( -9.510 5.317 -3.659) 11.493 10.616 ( -3.435 -0.961 -4.254) 5.551 10.721 ( -4.191 -6.599 -3.308) 8.488 10.754 ( 10.928 -0.418 -8.016) 13.559 11.566 ( -6.935 8.720 -2.187) 11.354 11.683 ( -3.765 5.312 -3.121) 7.221 12.390 ( -2.349 -6.486 -10.089) 12.222 12.730 ( -1.548 -3.085 -9.758) 10.351 13.119 ( -4.239 5.411 13.856) 15.468 13.234 ( -10.761 1.418 29.503) 31.436 13.839 ( 2.093 -5.706 4.686) 7.675 13.987 ( 0.182 -7.018 4.411) 8.290 15.198 ( 2.835 18.663 2.659) 19.064 15.369 ( 9.009 7.875 2.714) 12.270 15.756 ( 5.819 -1.700 1.844) 6.336 16.071 ( 7.412 3.516 9.536) 12.579 16.152 ( 5.152 7.300 -8.458) 12.303 17.449 ( -4.338 -8.457 -4.534) 10.531 17.682 ( -1.984 -1.334 -2.847) 3.718 17.811 ( -5.594 -1.174 -7.628) 9.532 21.376 ( 12.505 -7.923 7.826) 16.745 21.958 ( 3.824 -7.030 3.686) 8.811 23.033 ( -4.731 1.072 -5.067) 7.014 23.597 ( -3.374 -7.511 -3.584) 8.980 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.693 ( 21.674 11.516 11.662) 27.173 1.758 ( 22.202 18.716 7.443) 29.977 2.823 ( 29.579 8.162 12.798) 33.247 2.903 ( 8.808 -7.577 1.168) 11.677 2.974 ( 11.014 1.410 5.702) 12.482 3.252 ( -3.383 -3.295 -3.862) 6.101 3.380 ( -3.650 5.999 0.392) 7.033 3.589 ( -2.221 6.193 -4.351) 7.888 3.858 ( -0.956 -15.657 -4.486) 16.315 4.101 ( -17.532 0.435 -7.710) 19.157 4.210 ( -13.014 -5.494 -2.803) 14.401 4.343 ( 3.397 20.567 -13.512) 24.842 4.765 ( -3.862 -9.311 -3.194) 10.574 5.054 ( -1.045 6.635 -6.898) 9.628 5.157 ( -9.899 4.029 -3.381) 11.209 5.392 ( -6.423 -1.478 3.698) 7.558 5.582 ( 1.284 1.956 1.304) 2.679 5.612 ( 5.291 -5.008 -8.048) 10.856 5.850 ( -2.901 8.284 10.617) 13.776 6.061 ( 0.150 1.176 -0.305) 1.224 6.165 ( 7.070 -1.462 4.052) 8.279 6.421 ( 10.017 -1.779 9.373) 13.834 6.861 ( -1.270 1.925 6.747) 7.130 7.053 ( 1.696 8.323 -0.755) 8.527 7.170 ( 0.581 8.375 -7.986) 11.587 7.332 ( 3.608 1.248 -5.653) 6.821 7.566 ( 4.157 -3.838 0.916) 5.732 7.736 ( 13.856 -1.191 8.890) 16.506 7.918 ( 11.723 1.160 9.162) 14.924 8.209 ( 3.944 7.328 0.840) 8.365 8.619 ( -0.666 -5.087 -0.678) 5.175 8.760 ( 3.736 -2.219 -1.628) 4.640 8.944 ( -6.728 -13.289 -1.035) 14.931 9.440 ( 18.693 -8.138 -12.825) 24.086 9.653 ( 3.372 -2.142 4.142) 5.754 9.862 ( -0.597 10.132 5.050) 11.337 10.141 ( 4.893 2.352 2.355) 5.918 10.456 ( -9.262 -0.076 4.127) 10.140 10.642 ( -2.265 -7.565 -2.293) 8.223 10.996 ( 9.190 3.019 -10.685) 14.413 11.450 ( -3.494 6.327 -2.230) 7.564 11.569 ( -6.790 4.930 -4.226) 9.395 12.322 ( -5.816 -9.412 -9.169) 14.370 12.646 ( -7.646 -0.699 -10.946) 13.370 13.046 ( 0.567 9.152 18.918) 21.023 13.169 ( 0.453 3.626 16.477) 16.877 13.870 ( 1.144 -5.132 2.941) 6.024 13.974 ( -1.388 -6.338 3.933) 7.588 15.296 ( 6.570 18.829 0.472) 19.948 15.563 ( 9.417 8.255 -6.779) 14.240 15.835 ( 3.771 4.240 -2.356) 6.144 16.261 ( 9.649 0.758 -10.406) 14.212 16.340 ( 16.140 1.734 14.060) 21.475 17.305 ( -10.494 -3.537 -12.599) 16.774 17.630 ( -4.599 -5.035 0.205) 6.822 17.652 ( -9.530 -1.788 -8.270) 12.744 21.622 ( 12.528 -8.526 9.195) 17.726 22.078 ( 8.773 -7.403 4.384) 12.288 22.899 ( -8.965 1.041 -4.402) 10.042 23.491 ( -7.761 -7.826 -3.090) 11.447 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.103 ( 20.225 5.408 4.105) 21.334 2.181 ( 20.220 12.745 2.904) 24.077 2.866 ( -4.052 -4.927 -0.005) 6.380 3.011 ( -5.126 0.503 -3.926) 6.476 3.194 ( -5.874 3.405 2.918) 7.390 3.264 ( 6.702 -6.151 -2.172) 9.352 3.515 ( 6.179 -0.041 -2.140) 6.539 3.551 ( 6.220 4.673 2.792) 8.266 3.728 ( -15.429 -1.541 -1.006) 15.538 3.816 ( -2.195 -11.820 -6.595) 13.713 4.065 ( 0.291 -10.652 -5.732) 12.100 4.497 ( 2.126 3.572 -2.643) 4.925 4.680 ( 1.580 -0.260 -1.308) 2.068 5.000 ( -3.438 9.896 -6.596) 12.380 5.081 ( 1.198 6.185 -8.818) 10.837 5.269 ( -3.996 7.285 5.208) 9.806 5.626 ( 1.995 6.005 7.942) 10.154 5.699 ( 2.326 -1.718 5.286) 6.025 5.853 ( 2.814 4.192 -9.272) 10.557 6.045 ( -2.640 4.935 -1.196) 5.724 6.315 ( 8.263 -3.946 -6.520) 11.241 6.575 ( 5.750 -2.499 7.360) 9.668 6.917 ( 5.028 4.255 9.076) 11.214 7.045 ( -1.705 11.501 6.584) 13.362 7.126 ( -4.083 2.088 -16.499) 17.125 7.386 ( 0.759 1.057 -4.691) 4.868 7.658 ( 6.096 -3.967 -3.851) 8.230 7.966 ( 4.961 -5.256 3.598) 8.073 8.095 ( 8.326 -2.779 12.109) 14.956 8.276 ( 5.186 3.233 1.105) 6.210 8.598 ( -2.335 -6.117 10.715) 12.557 8.784 ( -7.635 -13.451 -0.291) 15.469 8.912 ( 9.752 6.699 -6.031) 13.280 9.468 ( -6.158 6.136 -1.895) 8.898 9.809 ( 3.207 -2.138 -1.122) 4.015 9.918 ( 8.868 5.706 3.739) 11.188 10.288 ( 5.139 1.620 5.773) 7.897 10.298 ( -6.930 -0.267 7.408) 10.147 10.754 ( 15.492 -7.192 -2.359) 17.242 11.018 ( -3.725 8.066 -9.240) 12.818 11.337 ( -10.382 12.031 1.651) 15.977 11.611 ( 12.131 -8.276 -8.944) 17.194 12.123 ( -14.596 -9.245 -6.989) 18.638 12.458 ( -11.143 -2.839 -10.043) 15.267 13.121 ( 5.609 7.385 12.372) 15.462 13.205 ( 2.611 5.068 13.107) 14.293 13.883 ( 0.320 -4.642 2.137) 5.120 13.940 ( -1.915 -5.464 3.080) 6.557 15.428 ( 6.496 18.420 0.411) 19.536 15.665 ( 0.535 12.053 -4.722) 12.956 15.994 ( 13.563 3.404 -14.787) 20.352 16.472 ( 12.526 -0.994 -16.007) 20.350 16.717 ( 20.716 -1.189 16.670) 26.617 17.045 ( -15.925 -0.361 -18.610) 24.497 17.391 ( -15.052 -1.324 -14.861) 21.194 17.547 ( -6.268 -7.112 6.600) 11.551 21.874 ( 13.534 -5.870 7.503) 16.551 22.306 ( 14.518 -7.871 4.224) 17.046 22.690 ( -12.214 0.606 -2.783) 12.542 23.288 ( -13.074 -8.089 -1.834) 15.483 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.467 ( 16.440 -1.301 0.733) 16.508 2.521 ( 14.375 10.679 -0.805) 17.926 2.752 ( -8.999 -5.571 -1.599) 10.704 2.813 ( -12.451 11.513 -4.320) 17.500 3.118 ( 2.297 4.708 1.562) 5.466 3.265 ( -9.078 1.686 -3.877) 10.015 3.514 ( 0.535 -1.039 -2.527) 2.784 3.551 ( -3.271 -5.319 -1.987) 6.553 3.652 ( 7.145 -12.051 -0.238) 14.012 3.799 ( -4.958 -21.453 0.135) 22.019 4.188 ( 8.873 -9.567 -2.494) 13.284 4.364 ( -9.497 -10.158 0.781) 13.928 4.856 ( 10.006 9.128 -6.620) 15.076 4.979 ( -2.103 7.629 -8.972) 11.963 5.120 ( 4.180 11.230 -6.936) 13.845 5.211 ( -3.584 12.617 -2.796) 13.411 5.669 ( 3.475 11.373 17.477) 21.139 5.732 ( -0.689 6.089 9.752) 11.517 5.886 ( 1.884 4.162 -10.374) 11.336 5.965 ( -5.042 4.185 -4.529) 7.966 6.497 ( 10.164 -7.432 -9.428) 15.730 6.640 ( -1.472 -5.373 2.979) 6.317 6.909 ( -0.936 7.802 1.423) 7.986 6.985 ( -6.170 8.649 -2.457) 10.905 7.180 ( 9.099 3.109 1.896) 9.801 7.336 ( -5.780 2.577 -1.037) 6.413 7.791 ( 6.998 -5.235 -7.904) 11.783 7.919 ( -5.849 -5.561 -6.491) 10.357 8.290 ( 9.332 -4.695 13.745) 17.264 8.382 ( 2.517 -6.688 10.996) 13.114 8.542 ( -1.221 -3.729 8.619) 9.471 8.627 ( -7.586 -10.528 1.317) 13.044 9.123 ( 10.680 10.188 -5.922) 15.904 9.315 ( -8.981 9.695 -3.517) 13.676 9.897 ( 6.371 -4.076 6.183) 9.769 10.012 ( -2.389 -4.661 6.362) 8.240 10.220 ( 2.517 9.069 2.770) 9.811 10.316 ( -3.076 9.121 5.636) 11.154 10.921 ( 3.681 6.765 -5.797) 9.640 11.069 ( -7.610 7.196 -0.543) 10.487 11.286 ( 20.244 -4.631 -1.705) 20.837 11.717 ( -17.722 -10.745 -2.811) 20.915 11.941 ( 11.360 -5.365 -10.452) 16.343 12.214 ( -13.796 -5.592 -9.910) 17.883 13.218 ( 3.513 5.871 10.130) 12.224 13.244 ( 0.757 5.267 10.674) 11.927 13.888 ( 0.399 -4.428 1.789) 4.793 13.906 ( -1.431 -4.726 2.226) 5.417 15.542 ( 5.198 16.943 -0.130) 17.723 15.628 ( -3.524 14.935 -1.489) 15.417 16.321 ( 18.835 2.176 -21.558) 28.710 16.692 ( -16.039 0.501 -21.774) 27.048 16.757 ( 12.737 -0.632 -17.858) 21.944 17.073 ( -14.419 -1.665 -15.160) 20.988 17.098 ( 14.892 -3.734 10.684) 18.705 17.377 ( -11.419 -6.369 9.492) 16.157 22.148 ( 14.468 -2.929 3.771) 15.235 22.429 ( -13.996 -0.765 -0.086) 14.017 22.633 ( 18.067 -8.057 2.739) 19.970 22.987 ( -17.424 -8.200 0.283) 19.259 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.621 ( 0.000 26.607 14.427) 30.267 1.637 ( 0.000 24.399 17.709) 30.148 2.443 ( 0.000 -11.729 8.866) 14.703 2.558 ( 0.000 -14.576 7.620) 16.448 2.804 ( 0.000 36.799 6.246) 37.325 3.128 ( 0.000 -7.322 -2.768) 7.828 3.336 ( 0.000 -3.745 -3.430) 5.078 3.936 ( 0.000 14.539 -16.191) 21.761 3.944 ( 0.000 14.182 0.308) 14.186 4.357 ( 0.000 -5.320 -10.153) 11.462 4.657 ( 0.000 4.348 -23.369) 23.770 4.673 ( 0.000 -8.546 -10.920) 13.867 4.837 ( 0.000 0.204 -9.793) 9.795 5.010 ( 0.000 -17.998 1.961) 18.105 5.100 ( 0.000 1.364 -4.917) 5.103 5.383 ( 0.000 -9.795 7.722) 12.473 5.617 ( 0.000 10.459 1.339) 10.544 5.620 ( 0.000 6.218 4.043) 7.417 5.897 ( 0.000 0.423 14.075) 14.081 5.929 ( 0.000 -0.125 4.237) 4.239 6.178 ( 0.000 -2.829 -1.116) 3.042 6.403 ( 0.000 -12.597 -2.565) 12.855 6.824 ( 0.000 0.439 16.434) 16.440 7.203 ( 0.000 -9.362 16.126) 18.647 7.323 ( 0.000 7.516 3.036) 8.106 7.440 ( 0.000 9.654 -1.315) 9.743 7.441 ( 0.000 -0.291 -12.340) 12.344 7.729 ( 0.000 -3.605 -2.458) 4.363 7.797 ( 0.000 22.142 5.431) 22.799 7.899 ( 0.000 11.184 7.355) 13.386 8.120 ( 0.000 2.527 -3.333) 4.182 8.543 ( 0.000 -8.049 6.778) 10.522 8.606 ( 0.000 -5.037 -9.721) 10.949 8.745 ( 0.000 -18.442 -0.815) 18.460 9.895 ( 0.000 5.633 -3.341) 6.549 9.915 ( 0.000 13.655 12.667) 18.625 10.270 ( 0.000 -9.703 -6.216) 11.523 10.497 ( 0.000 -5.973 3.583) 6.965 10.653 ( 0.000 -4.469 -2.148) 4.958 10.654 ( 0.000 -3.177 -2.638) 4.130 11.769 ( 0.000 7.156 -8.435) 11.062 11.960 ( 0.000 13.131 -7.198) 14.975 12.280 ( 0.000 -6.591 -9.733) 11.755 12.598 ( 0.000 -8.557 -8.870) 12.325 13.276 ( 0.000 8.682 9.665) 12.992 13.407 ( 0.000 4.509 21.655) 22.120 13.666 ( 0.000 -7.864 9.980) 12.706 13.801 ( 0.000 -9.819 5.584) 11.296 15.366 ( 0.000 5.160 6.290) 8.136 15.580 ( 0.000 -4.012 6.401) 7.554 15.758 ( 0.000 28.355 5.700) 28.922 16.132 ( 0.000 10.030 7.149) 12.317 16.203 ( 0.000 -0.852 1.531) 1.752 17.146 ( 0.000 -21.740 0.250) 21.742 17.739 ( 0.000 2.057 -6.204) 6.536 17.833 ( 0.000 -1.955 -6.259) 6.558 21.276 ( 0.000 7.212 1.867) 7.450 21.725 ( 0.000 -11.169 1.560) 11.277 23.125 ( 0.000 3.600 -4.881) 6.065 23.435 ( 0.000 -10.073 -4.110) 10.880 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.740 ( 10.477 22.171 16.126) 29.349 1.828 ( 16.574 22.972 9.577) 29.902 2.514 ( 6.916 -12.329 7.529) 16.016 2.641 ( 6.557 -11.298 5.998) 14.374 2.930 ( 12.735 26.122 5.114) 29.508 3.125 ( -0.205 -7.712 -2.639) 8.153 3.382 ( 4.907 -1.274 -2.931) 5.856 3.783 ( -9.571 13.848 -3.502) 17.194 3.947 ( -4.437 8.222 -12.065) 15.260 4.342 ( -4.220 -1.704 -4.324) 6.278 4.409 ( -16.739 -6.437 -6.777) 19.171 4.655 ( -5.665 -2.922 -10.063) 11.912 4.808 ( -2.195 6.641 -13.650) 15.337 5.060 ( 2.573 -7.891 -5.890) 10.177 5.136 ( 3.676 -1.031 -7.052) 8.019 5.343 ( -0.292 -6.328 -2.352) 6.757 5.572 ( -2.417 7.712 1.695) 8.257 5.749 ( 5.097 5.279 8.380) 11.139 5.916 ( 1.369 2.009 4.360) 4.992 5.928 ( 2.601 -3.697 10.642) 11.562 6.248 ( -3.860 -2.518 0.763) 4.672 6.280 ( 0.513 -3.429 1.713) 3.868 6.810 ( -1.944 -3.541 13.668) 14.252 7.056 ( -8.873 -4.756 -1.494) 10.178 7.279 ( 2.111 5.212 2.464) 6.139 7.390 ( 4.926 4.394 4.353) 7.907 7.592 ( 6.797 7.425 3.272) 10.585 7.722 ( 5.404 -1.206 4.200) 6.949 7.775 ( -2.243 21.528 6.151) 22.502 8.229 ( 9.698 7.214 -2.801) 12.407 8.489 ( 25.825 -6.745 -7.838) 27.819 8.567 ( 3.545 -6.023 2.006) 7.271 8.593 ( 8.266 -8.677 -6.641) 13.701 8.722 ( -1.344 -15.929 0.806) 16.006 9.789 ( -5.398 6.755 4.988) 9.982 10.046 ( 8.049 13.603 3.760) 16.247 10.152 ( -8.094 -7.509 0.709) 11.064 10.554 ( -2.469 -4.558 -3.368) 6.182 10.594 ( -5.536 -4.427 -0.818) 7.135 10.699 ( 9.631 -7.209 -0.237) 12.033 11.704 ( -6.128 8.539 -9.501) 14.169 11.932 ( -3.189 13.165 -5.988) 14.810 12.237 ( -4.115 -7.077 -9.917) 12.860 12.592 ( -1.600 -9.938 -9.301) 13.705 13.283 ( 0.840 8.943 10.492) 13.812 13.343 ( -4.544 9.258 20.032) 22.531 13.689 ( 1.828 -8.430 7.971) 11.745 13.805 ( 0.142 -10.084 5.647) 11.558 15.445 ( 7.844 6.574 0.764) 10.263 15.686 ( 9.095 -4.519 2.190) 10.390 15.810 ( 4.898 28.752 5.701) 29.718 16.179 ( 5.039 7.546 8.204) 12.233 16.238 ( 3.605 0.707 1.210) 3.868 17.139 ( -0.815 -20.915 -0.571) 20.938 17.685 ( -5.325 1.423 -6.158) 8.265 17.776 ( -5.753 -2.082 -7.491) 9.672 21.340 ( 6.402 4.227 4.397) 8.843 21.756 ( 3.324 -11.449 2.373) 12.156 23.080 ( -4.614 3.715 -4.784) 7.614 23.399 ( -3.784 -10.316 -4.044) 11.709 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.995 ( 14.462 16.391 12.323) 25.093 2.152 ( 16.172 18.142 3.409) 24.542 2.683 ( 9.165 -13.095 3.525) 16.368 2.750 ( 4.447 -9.357 3.988) 11.101 3.073 ( -1.452 -3.900 -2.143) 4.681 3.262 ( 13.196 -2.049 1.331) 13.420 3.508 ( 5.575 8.907 -5.116) 11.687 3.616 ( -5.751 6.196 -1.231) 8.543 3.797 ( -9.712 7.177 -9.080) 15.109 4.016 ( -19.324 -7.967 -0.963) 20.924 4.214 ( -11.093 4.197 5.364) 13.017 4.503 ( -9.151 -7.111 -0.550) 11.602 4.797 ( 2.441 11.844 -15.857) 19.942 5.090 ( 0.885 -3.449 -9.929) 10.549 5.215 ( 3.308 4.072 -13.126) 14.135 5.423 ( 7.814 -6.598 -8.827) 13.510 5.502 ( -3.201 10.129 0.840) 10.656 5.761 ( -0.273 8.122 3.033) 8.674 5.947 ( -1.021 1.909 14.664) 14.823 6.029 ( 6.948 -2.354 0.589) 7.359 6.133 ( 0.799 -2.498 2.638) 3.720 6.472 ( 11.359 2.282 2.768) 11.912 6.775 ( 0.204 -6.331 14.412) 15.742 7.052 ( 5.476 -4.412 -10.205) 12.394 7.323 ( -0.109 4.445 -3.439) 5.621 7.476 ( 2.375 0.797 1.932) 3.163 7.639 ( -2.704 16.413 1.548) 16.706 7.769 ( 6.914 4.118 10.937) 13.578 7.916 ( 9.347 -0.087 13.493) 16.415 8.299 ( -2.904 -1.262 -0.845) 3.277 8.497 ( -1.928 -5.933 -0.612) 6.269 8.600 ( -4.069 -13.265 1.000) 13.911 8.815 ( 15.480 5.111 -5.708) 17.273 9.228 ( 31.015 -10.521 -9.582) 34.124 9.698 ( -3.707 5.116 5.580) 8.429 9.999 ( -6.516 -3.690 6.351) 9.819 10.236 ( 10.628 12.812 1.699) 16.733 10.434 ( -7.024 -0.600 2.528) 7.489 10.507 ( -1.805 -4.965 -0.573) 5.313 10.952 ( 14.528 -9.806 -4.087) 17.997 11.549 ( -9.382 8.921 -10.871) 16.905 11.826 ( -7.788 13.801 -3.890) 16.317 12.119 ( -8.236 -9.155 -9.944) 15.828 12.503 ( -7.773 -11.370 -7.996) 15.926 13.292 ( 0.044 12.321 15.933) 20.141 13.313 ( 2.049 9.921 9.275) 13.735 13.725 ( 1.655 -8.417 5.767) 10.337 13.800 ( -0.531 -9.809 5.007) 11.026 15.648 ( 12.153 9.308 -9.097) 17.807 15.867 ( 8.221 2.420 -2.443) 8.911 15.923 ( 6.395 24.039 1.658) 24.931 16.309 ( 6.786 3.186 -1.405) 7.627 16.379 ( 12.425 1.982 11.118) 16.791 17.100 ( -3.711 -17.444 -3.964) 18.270 17.545 ( -8.636 -1.192 -5.287) 10.195 17.612 ( -10.894 -2.218 -10.427) 15.242 21.518 ( 11.638 0.170 7.380) 13.781 21.867 ( 8.347 -11.804 3.916) 14.978 22.946 ( -9.079 3.872 -4.220) 10.734 23.283 ( -8.253 -10.861 -3.552) 14.096 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.267 ( 13.019 10.833 7.596) 18.562 2.471 ( 16.587 13.147 0.210) 21.166 2.771 ( 0.066 -3.353 -0.126) 3.356 2.886 ( 7.787 -11.758 1.243) 14.157 3.047 ( 1.553 -8.908 -0.724) 9.071 3.359 ( -5.548 -9.581 -2.129) 11.274 3.457 ( -4.719 3.591 -3.984) 7.143 3.548 ( -6.212 1.222 -4.454) 7.741 3.630 ( -10.703 -0.482 -2.873) 11.092 3.742 ( -6.770 1.394 2.170) 7.244 4.013 ( -6.359 2.540 6.977) 9.776 4.298 ( -11.827 -12.253 6.383) 18.187 4.916 ( 8.795 12.137 -15.144) 21.307 5.128 ( 3.587 2.682 -13.915) 14.618 5.257 ( 1.861 8.703 -15.637) 17.992 5.460 ( 0.341 5.831 -3.566) 6.844 5.644 ( 11.123 2.015 -3.239) 11.759 5.777 ( 1.290 4.465 -6.992) 8.395 5.974 ( 5.263 11.041 12.798) 17.703 6.136 ( 3.978 -2.297 -0.765) 4.656 6.194 ( 3.998 -3.472 1.932) 5.636 6.649 ( 4.753 9.563 3.147) 11.133 6.853 ( 7.735 -11.925 15.396) 20.954 7.174 ( 4.049 -3.394 -7.273) 8.990 7.238 ( -5.936 9.150 -9.614) 14.539 7.473 ( -2.841 4.988 4.638) 7.380 7.607 ( 1.098 3.434 -2.411) 4.337 7.878 ( -1.533 -3.345 6.443) 7.420 8.049 ( 6.980 -0.629 11.161) 13.179 8.261 ( 1.238 -5.242 6.531) 8.466 8.450 ( -3.299 -6.834 2.684) 8.049 8.507 ( -4.470 -10.697 7.276) 13.687 9.138 ( 15.222 13.824 -7.426) 21.862 9.585 ( 0.291 4.443 0.372) 4.468 9.705 ( 6.915 -6.743 -2.334) 9.936 9.919 ( -1.471 -6.220 8.188) 10.387 10.324 ( 0.668 3.330 1.814) 3.850 10.481 ( 10.792 15.375 3.487) 19.106 10.602 ( 13.185 -6.117 -0.052) 14.535 11.203 ( 6.136 2.000 -8.001) 10.280 11.392 ( -1.686 -5.089 -7.966) 9.602 11.632 ( -11.689 14.209 -1.940) 18.501 11.908 ( -13.069 -10.294 -8.968) 18.899 12.298 ( -12.796 -11.649 -6.511) 18.489 13.330 ( 3.079 11.373 9.890) 15.383 13.360 ( 2.488 9.188 8.948) 13.064 13.750 ( 0.893 -7.841 4.272) 8.974 13.787 ( -0.802 -8.803 4.065) 9.730 15.878 ( 9.821 15.902 -9.327) 20.888 15.976 ( 3.501 19.728 -0.474) 20.042 16.087 ( 11.167 6.332 -10.338) 16.483 16.469 ( 10.334 1.621 -9.737) 14.291 16.672 ( 16.038 -3.225 12.757) 20.746 16.971 ( -10.050 -9.517 -11.519) 18.007 17.348 ( -13.685 -3.013 -11.298) 18.000 17.377 ( -10.472 -5.863 -3.065) 12.387 21.786 ( 15.616 -0.858 6.812) 17.059 22.089 ( 14.367 -11.728 4.257) 19.028 22.729 ( -13.135 3.558 -2.672) 13.868 23.073 ( -13.372 -11.314 -2.190) 17.653 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.495 ( 10.293 5.505 3.578) 12.209 2.663 ( -5.766 2.719 1.735) 6.606 2.822 ( 14.644 11.308 -5.013) 19.169 3.017 ( 3.541 -1.929 -2.004) 4.503 3.144 ( 0.835 -7.181 2.886) 7.784 3.197 ( -0.870 -6.811 -4.174) 8.036 3.269 ( -10.811 -9.402 -3.402) 14.726 3.376 ( -10.597 -2.961 -4.995) 12.083 3.580 ( 1.870 0.887 5.870) 6.224 3.620 ( -3.756 2.130 3.532) 5.578 3.966 ( 0.857 -9.879 4.883) 11.053 4.073 ( -9.833 -14.885 6.486) 18.982 5.082 ( 6.959 10.821 -16.011) 20.540 5.166 ( -1.347 8.964 -16.090) 18.468 5.341 ( 6.681 6.387 -14.230) 16.969 5.447 ( -2.982 5.045 -9.929) 11.530 5.785 ( 3.012 6.035 -2.597) 7.228 5.799 ( 0.807 3.346 -8.600) 9.263 6.121 ( 6.280 14.977 11.730) 20.033 6.178 ( -0.172 3.436 0.505) 3.477 6.334 ( 12.678 -3.126 0.658) 13.074 6.601 ( -10.345 6.762 4.992) 13.329 7.006 ( 5.946 -6.872 7.430) 11.738 7.088 ( -4.092 1.473 -4.448) 6.221 7.290 ( 5.005 7.974 -0.170) 9.416 7.398 ( -4.884 4.082 3.889) 7.459 7.655 ( 3.544 -6.151 -6.221) 9.439 7.758 ( -7.074 -8.724 -4.120) 11.964 8.201 ( 6.924 -2.354 12.720) 14.672 8.285 ( -0.999 -2.409 13.009) 13.268 8.397 ( -0.654 -9.154 4.600) 10.265 8.432 ( -3.298 -6.862 9.012) 11.797 9.372 ( 8.996 12.383 -3.914) 15.798 9.511 ( -5.688 8.611 0.262) 10.324 9.788 ( 3.464 -6.493 4.183) 8.465 9.868 ( -4.276 -8.292 5.829) 11.001 10.447 ( 10.355 11.809 -0.388) 15.711 10.607 ( -1.951 17.837 1.032) 17.973 10.962 ( 20.380 -8.410 -4.675) 22.538 11.200 ( 2.503 10.248 -5.731) 12.006 11.342 ( -11.332 0.596 -4.272) 12.125 11.468 ( -10.586 -3.485 0.975) 11.188 11.762 ( 7.270 -11.208 -9.256) 16.252 12.023 ( -14.979 -12.244 -6.818) 20.513 13.385 ( 1.988 9.338 7.706) 12.270 13.396 ( 0.839 8.665 7.853) 11.724 13.762 ( 0.443 -7.374 3.378) 8.123 13.772 ( -0.661 -7.728 3.408) 8.472 15.995 ( 2.903 22.520 -2.272) 22.820 16.016 ( 0.530 21.054 -1.349) 21.104 16.370 ( 16.858 1.710 -18.953) 25.423 16.676 ( -4.306 -2.599 -17.719) 18.419 16.752 ( 3.201 -0.182 -15.391) 15.722 16.962 ( 12.470 -8.181 8.779) 17.306 17.043 ( -15.721 -1.765 -15.298) 22.007 17.189 ( -10.020 -10.386 5.409) 15.412 22.111 ( 17.209 0.496 3.653) 17.600 22.406 ( 12.762 -9.068 1.850) 15.765 22.447 ( -10.749 -0.109 0.899) 10.787 22.768 ( -17.494 -11.492 0.115) 20.931 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.091 ( 0.000 -9.813 10.662) 14.491 2.091 ( 0.000 9.813 10.662) 14.491 2.167 ( 0.000 -13.042 11.978) 17.708 2.167 ( 0.000 13.042 11.978) 17.708 3.039 ( 0.000 -0.820 -6.398) 6.450 3.039 ( 0.000 0.820 -6.398) 6.450 3.756 ( 0.000 -25.997 -8.645) 27.396 3.756 ( 0.000 25.997 -8.645) 27.396 4.292 ( 0.000 -15.529 -2.900) 15.798 4.292 ( 0.000 15.529 -2.900) 15.798 4.587 ( 0.000 -8.817 -15.184) 17.558 4.587 ( 0.000 8.817 -15.184) 17.558 4.806 ( 0.000 -1.786 -0.667) 1.907 4.806 ( 0.000 1.786 -0.667) 1.907 5.215 ( 0.000 -6.795 -0.495) 6.813 5.215 ( 0.000 6.795 -0.495) 6.813 5.731 ( 0.000 -1.793 6.433) 6.678 5.731 ( 0.000 1.793 6.433) 6.678 5.929 ( 0.000 -2.175 7.713) 8.014 5.929 ( 0.000 2.175 7.713) 8.014 6.156 ( 0.000 -7.195 -4.621) 8.551 6.156 ( 0.000 7.195 -4.621) 8.551 6.960 ( 0.000 -10.856 14.586) 18.183 6.960 ( 0.000 10.856 14.586) 18.183 7.436 ( 0.000 -2.541 -0.668) 2.628 7.436 ( 0.000 2.541 -0.668) 2.628 7.612 ( 0.000 -7.112 0.210) 7.115 7.612 ( 0.000 7.112 0.210) 7.115 8.066 ( 0.000 -8.237 -0.689) 8.266 8.066 ( 0.000 8.237 -0.689) 8.266 8.318 ( 0.000 -21.220 1.310) 21.260 8.318 ( 0.000 21.220 1.310) 21.260 8.501 ( 0.000 -3.227 -2.441) 4.046 8.501 ( 0.000 3.227 -2.441) 4.046 10.043 ( 0.000 -7.668 -3.161) 8.294 10.043 ( 0.000 7.668 -3.161) 8.294 10.258 ( 0.000 -14.018 9.302) 16.823 10.258 ( 0.000 14.018 9.302) 16.823 10.607 ( 0.000 -0.296 -1.499) 1.528 10.607 ( 0.000 0.296 -1.499) 1.528 11.971 ( 0.000 -9.833 -13.321) 16.557 11.971 ( 0.000 9.833 -13.321) 16.557 12.366 ( 0.000 -12.464 -5.336) 13.558 12.366 ( 0.000 12.464 -5.336) 13.558 13.475 ( 0.000 -9.792 10.976) 14.709 13.475 ( 0.000 9.792 10.976) 14.709 13.581 ( 0.000 -10.410 10.430) 14.736 13.581 ( 0.000 10.410 10.430) 14.736 15.479 ( 0.000 -5.303 6.418) 8.326 15.479 ( 0.000 5.303 6.419) 8.326 16.118 ( 0.000 -7.250 6.944) 10.039 16.118 ( 0.000 7.250 6.944) 10.039 16.590 ( 0.000 -29.422 2.037) 29.492 16.590 ( 0.000 29.422 2.037) 29.492 17.787 ( 0.000 -2.316 -6.214) 6.632 17.787 ( 0.000 2.316 -6.214) 6.632 21.480 ( 0.000 -11.404 0.330) 11.409 21.480 ( 0.000 11.404 0.330) 11.409 23.242 ( 0.000 -7.613 -4.529) 8.859 23.242 ( 0.000 7.613 -4.529) 8.859 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.176 ( 7.409 -17.671 10.947) 22.068 2.176 ( 7.409 17.671 10.947) 22.068 2.296 ( 11.251 -18.895 7.828) 23.343 2.296 ( 11.251 18.895 7.828) 23.343 3.041 ( 0.904 -0.411 -5.067) 5.163 3.041 ( 0.904 0.411 -5.067) 5.163 3.780 ( 1.919 -21.194 -8.910) 23.071 3.780 ( 1.919 21.194 -8.910) 23.071 4.112 ( -14.769 -15.418 -3.142) 21.580 4.112 ( -14.769 15.418 -3.142) 21.580 4.514 ( -6.575 -9.553 -1.839) 11.741 4.514 ( -6.575 9.553 -1.839) 11.741 4.903 ( 5.632 -5.399 -10.433) 13.027 4.903 ( 5.632 5.399 -10.433) 13.027 5.228 ( 2.027 -5.540 -5.928) 8.363 5.228 ( 2.027 5.540 -5.928) 8.363 5.734 ( 0.093 -7.110 6.083) 9.358 5.734 ( 0.093 7.110 6.083) 9.358 5.948 ( 1.889 -2.288 6.095) 6.779 5.948 ( 1.889 2.288 6.095) 6.779 6.176 ( 2.266 -1.943 0.839) 3.100 6.176 ( 2.266 1.943 0.839) 3.100 6.881 ( -4.853 -8.534 7.506) 12.358 6.881 ( -4.853 8.534 7.506) 12.358 7.412 ( 0.528 -3.631 1.778) 4.078 7.412 ( 0.528 3.631 1.778) 4.078 7.673 ( 6.085 -2.230 7.637) 10.016 7.673 ( 6.085 2.230 7.637) 10.016 8.242 ( -4.206 -19.721 -1.733) 20.239 8.242 ( -4.206 19.721 -1.733) 20.239 8.384 ( 16.426 -6.703 -4.525) 18.309 8.384 ( 16.426 6.703 -4.525) 18.309 8.528 ( 8.492 -2.119 -0.650) 8.777 8.528 ( 8.492 2.119 -0.650) 8.777 9.959 ( -6.144 -9.201 2.420) 11.326 9.959 ( -6.144 9.201 2.420) 11.326 10.368 ( 8.142 -14.528 2.254) 16.806 10.368 ( 8.142 14.528 2.254) 16.806 10.561 ( -3.470 -1.965 0.886) 4.085 10.561 ( -3.470 1.965 0.886) 4.085 11.929 ( -4.323 -10.814 -13.599) 17.904 11.929 ( -4.323 10.814 -13.599) 17.904 12.333 ( -3.587 -13.463 -4.859) 14.756 12.333 ( -3.587 13.463 -4.859) 14.756 13.486 ( 1.071 -9.553 10.745) 14.417 13.486 ( 1.071 9.553 10.745) 14.417 13.576 ( -0.356 -10.879 9.198) 14.250 13.576 ( -0.356 10.879 9.198) 14.250 15.575 ( 9.111 -5.845 1.726) 10.961 15.575 ( 9.111 5.845 1.726) 10.961 16.178 ( 5.979 -6.061 7.511) 11.353 16.178 ( 5.979 6.061 7.511) 11.353 16.596 ( 0.597 -28.832 1.858) 28.898 16.596 ( 0.597 28.832 1.858) 28.898 17.728 ( -5.905 -2.364 -7.177) 9.590 17.728 ( -5.905 2.364 -7.177) 9.590 21.511 ( 3.440 -10.889 2.003) 11.594 21.511 ( 3.440 10.889 2.003) 11.594 23.201 ( -4.277 -7.838 -4.473) 9.986 23.201 ( -4.277 7.838 -4.473) 9.986 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.356 ( 10.438 -17.110 8.996) 21.969 2.356 ( 10.438 17.110 8.996) 21.969 2.504 ( 9.423 -14.291 2.856) 17.355 2.504 ( 9.423 14.291 2.856) 17.355 3.073 ( 1.064 -6.147 -3.300) 7.057 3.073 ( 1.064 6.147 -3.300) 7.057 3.777 ( -5.933 -8.229 -7.033) 12.344 3.777 ( -5.933 8.229 -7.033) 12.344 3.832 ( -10.247 -10.297 -3.438) 14.928 3.832 ( -10.247 10.297 -3.438) 14.928 4.342 ( -10.850 -7.626 8.261) 15.624 4.342 ( -10.850 7.626 8.261) 15.624 4.981 ( 3.884 -6.569 -15.503) 17.280 4.981 ( 3.884 6.569 -15.503) 17.280 5.311 ( 6.179 -4.985 -13.454) 15.622 5.311 ( 6.179 4.985 -13.454) 15.622 5.735 ( 0.281 -10.422 0.650) 10.446 5.735 ( 0.281 10.422 0.650) 10.446 5.989 ( 2.627 -6.270 1.571) 6.977 5.989 ( 2.627 6.270 1.571) 6.977 6.268 ( 7.207 -15.732 15.409) 23.170 6.268 ( 7.207 15.732 15.409) 23.170 6.869 ( 3.590 -10.829 -0.444) 11.418 6.869 ( 3.590 10.829 -0.444) 11.418 7.438 ( 0.869 -4.164 -0.832) 4.334 7.438 ( 0.869 4.164 -0.832) 4.334 7.814 ( 6.416 -3.222 11.905) 13.902 7.814 ( 6.416 3.222 11.905) 13.902 8.107 ( -6.909 -15.596 -1.074) 17.092 8.107 ( -6.909 15.596 -1.074) 17.092 8.433 ( -2.088 -2.546 3.033) 4.477 8.433 ( -2.088 2.546 3.033) 4.477 9.003 ( 27.485 -10.704 -7.891) 30.533 9.003 ( 27.485 10.704 -7.891) 30.533 9.845 ( -5.262 -8.290 6.177) 11.600 9.845 ( -5.262 8.290 6.177) 11.600 10.410 ( -2.906 -3.066 -1.192) 4.390 10.410 ( -2.906 3.066 -1.192) 4.390 10.640 ( 11.869 -17.086 2.507) 20.954 10.640 ( 11.869 17.086 2.507) 20.954 11.802 ( -8.818 -12.557 -13.685) 20.560 11.802 ( -8.818 12.557 -13.685) 20.560 12.217 ( -8.432 -14.634 -3.592) 17.268 12.217 ( -8.432 14.634 -3.592) 17.268 13.515 ( 1.759 -7.848 9.130) 12.167 13.515 ( 1.759 7.848 9.130) 12.167 13.575 ( 0.316 -9.451 7.245) 11.913 13.575 ( 0.316 9.451 7.245) 11.913 15.795 ( 12.772 -5.555 -7.355) 15.750 15.795 ( 12.772 5.555 -7.355) 15.750 16.337 ( 9.680 -2.898 7.119) 12.361 16.337 ( 9.680 2.898 7.119) 12.361 16.608 ( 0.572 -26.163 1.317) 26.202 16.608 ( 0.572 26.163 1.317) 26.202 17.564 ( -10.709 -2.099 -9.459) 14.442 17.564 ( -10.709 2.099 -9.459) 14.442 21.629 ( 9.003 -9.492 4.727) 13.911 21.629 ( 9.003 9.492 4.727) 13.911 23.074 ( -8.830 -8.308 -3.977) 12.759 23.074 ( -8.830 8.308 -3.977) 12.759 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.555 ( 9.423 -15.630 6.610) 19.411 2.555 ( 9.423 15.630 6.610) 19.411 2.695 ( 10.731 -7.685 1.249) 13.258 2.695 ( 10.731 7.685 1.249) 13.258 3.043 ( -3.677 -10.299 -3.854) 11.595 3.043 ( -3.677 10.299 -3.854) 11.595 3.591 ( -9.234 -2.530 -1.716) 9.727 3.591 ( -9.234 2.530 -1.716) 9.727 3.683 ( -7.717 -8.244 -5.974) 12.775 3.683 ( -7.717 8.244 -5.974) 12.775 4.100 ( -13.599 -6.014 12.208) 19.239 4.100 ( -13.599 6.014 12.208) 19.239 5.104 ( 8.441 -5.342 -18.296) 20.845 5.104 ( 8.441 5.342 -18.296) 20.845 5.412 ( 2.231 -5.826 -16.252) 17.408 5.412 ( 2.231 5.826 -16.252) 17.408 5.797 ( 7.281 -5.904 -3.479) 9.998 5.797 ( 7.281 5.904 -3.479) 9.998 6.049 ( 2.764 -6.127 -1.701) 6.934 6.049 ( 2.764 6.127 -1.701) 6.934 6.439 ( 10.163 -21.210 20.500) 31.199 6.439 ( 10.163 21.210 20.500) 31.199 6.961 ( 3.521 -14.100 -1.227) 14.585 6.961 ( 3.521 14.100 -1.227) 14.585 7.427 ( -1.322 -6.785 -4.162) 8.069 7.427 ( -1.322 6.785 -4.162) 8.069 7.788 ( -8.551 -7.067 3.290) 11.571 7.788 ( -8.551 7.067 3.290) 11.571 8.102 ( 5.854 -6.480 8.123) 11.926 8.102 ( 5.854 6.480 8.123) 11.926 8.381 ( -2.995 -1.333 7.523) 8.207 8.381 ( -2.995 1.333 7.523) 8.207 9.440 ( 15.495 -13.632 -6.634) 21.678 9.440 ( 15.495 13.632 -6.634) 21.678 9.756 ( -3.905 -7.702 6.780) 10.979 9.756 ( -3.905 7.702 6.780) 10.979 10.435 ( 7.830 -6.772 0.578) 10.368 10.435 ( 7.830 6.772 0.578) 10.368 10.900 ( 13.252 -19.939 0.046) 23.941 10.900 ( 13.252 19.939 0.046) 23.941 11.595 ( -11.538 -13.368 -12.674) 21.737 11.595 ( -11.538 13.368 -12.674) 21.737 12.006 ( -13.008 -15.036 -2.652) 20.058 12.006 ( -13.008 15.036 -2.652) 20.058 13.551 ( 1.833 -4.762 6.592) 8.337 13.551 ( 1.833 4.762 6.592) 8.337 13.586 ( 0.671 -5.593 6.138) 8.331 13.586 ( 0.671 5.593 6.138) 8.331 16.057 ( 13.811 -4.057 -12.951) 19.363 16.057 ( 13.811 4.057 -12.951) 19.363 16.509 ( 5.414 -9.216 1.857) 10.849 16.509 ( 5.414 9.216 1.857) 10.849 16.630 ( 3.474 -10.693 1.504) 11.343 16.630 ( 3.474 10.693 1.504) 11.343 17.320 ( -14.018 -1.133 -11.184) 17.968 17.320 ( -14.018 1.133 -11.184) 17.968 21.866 ( 15.078 -8.127 5.232) 17.910 21.866 ( 15.078 8.127 5.232) 17.910 22.855 ( -13.571 -8.529 -2.520) 16.226 22.855 ( -13.571 8.529 -2.520) 16.226 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.715 ( 7.173 -14.256 4.508) 16.583 2.715 ( 7.173 14.256 4.508) 16.583 2.827 ( -2.189 -11.881 4.488) 12.888 2.827 ( -2.189 11.881 4.488) 12.888 3.057 ( 10.562 -8.518 -7.691) 15.597 3.057 ( 10.562 8.518 -7.691) 15.597 3.341 ( -15.525 -4.325 -7.477) 17.766 3.341 ( -15.525 4.325 -7.477) 17.766 3.659 ( 5.211 -2.981 5.084) 7.867 3.659 ( 5.211 2.981 5.084) 7.867 3.839 ( -12.235 -2.351 9.902) 15.915 3.839 ( -12.235 2.351 9.902) 15.915 5.270 ( 7.790 -4.640 -18.524) 20.625 5.270 ( 7.790 4.640 -18.524) 20.625 5.388 ( -4.009 -5.253 -17.407) 18.619 5.388 ( -4.009 5.253 -17.407) 18.619 5.968 ( 8.036 -5.742 -5.019) 11.078 5.968 ( 8.036 5.742 -5.019) 11.078 6.065 ( -1.736 -5.923 -3.664) 7.178 6.065 ( -1.736 5.923 -3.664) 7.178 6.670 ( 13.409 -21.309 16.005) 29.834 6.670 ( 13.409 21.309 16.005) 29.834 6.913 ( -9.221 -16.206 6.430) 19.723 6.913 ( -9.221 16.206 6.430) 19.723 7.454 ( 5.148 -4.990 -5.286) 8.908 7.454 ( 5.148 4.990 -5.286) 8.908 7.603 ( -9.237 -4.444 -2.414) 10.531 7.603 ( -9.237 4.444 -2.414) 10.531 8.224 ( 5.683 -4.339 10.796) 12.949 8.224 ( 5.683 4.339 10.796) 12.949 8.316 ( -3.851 -3.232 10.214) 11.384 8.316 ( -3.851 3.232 10.214) 11.384 9.615 ( 4.603 -10.102 -0.346) 11.107 9.615 ( 4.603 10.102 -0.346) 11.107 9.686 ( -3.420 -8.400 4.145) 9.972 9.686 ( -3.420 8.400 4.145) 9.972 10.713 ( 18.214 -13.041 -2.298) 22.519 10.713 ( 18.214 13.041 -2.298) 22.519 11.012 ( -7.360 -19.299 -2.352) 20.788 11.012 ( -7.360 19.299 -2.352) 20.788 11.484 ( 5.616 -13.730 -7.780) 16.751 11.484 ( 5.616 13.730 -7.780) 16.751 11.726 ( -15.056 -15.011 -3.311) 21.517 11.726 ( -15.056 15.011 -3.311) 21.517 13.581 ( 1.172 -3.067 5.251) 6.193 13.581 ( 1.172 3.067 5.251) 6.193 13.593 ( -0.058 -3.211 5.373) 6.260 13.593 ( -0.058 3.211 5.373) 6.260 16.315 ( 11.841 -7.670 -11.800) 18.393 16.315 ( 11.841 7.670 -11.800) 18.393 16.489 ( -5.629 -17.145 -5.337) 18.818 16.489 ( -5.629 17.145 -5.337) 18.818 16.789 ( 10.986 -6.007 -1.883) 12.662 16.789 ( 10.986 6.007 -1.883) 12.662 17.038 ( -14.243 -2.586 -9.050) 17.072 17.038 ( -14.243 2.586 -9.050) 17.072 22.198 ( 18.281 -7.775 3.124) 20.110 22.198 ( 18.281 7.775 3.124) 20.110 22.551 ( -17.358 -8.213 0.039) 19.203 22.551 ( -17.358 8.213 0.039) 19.203 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.341 ( 0.000 0.000 30.926) 30.926 1.463 ( 0.000 0.000 31.721) 31.721 2.398 ( 0.000 0.000 50.818) 50.818 2.765 ( 0.000 0.000 4.808) 4.808 3.003 ( 0.000 0.000 14.985) 14.985 3.217 ( 0.000 0.000 -6.463) 6.463 3.382 ( 0.000 0.000 -7.604) 7.604 3.413 ( 0.000 0.000 2.411) 2.411 3.946 ( 0.000 0.000 -4.071) 4.071 4.072 ( 0.000 0.000 -25.060) 25.060 4.285 ( 0.000 0.000 -2.705) 2.705 4.400 ( 0.000 0.000 -11.260) 11.260 4.510 ( 0.000 0.000 -14.414) 14.414 4.969 ( 0.000 0.000 -9.923) 9.923 5.141 ( 0.000 0.000 -5.702) 5.702 5.496 ( 0.000 0.000 1.883) 1.883 5.692 ( 0.000 0.000 5.145) 5.145 5.797 ( 0.000 0.000 0.583) 0.583 5.887 ( 0.000 0.000 12.349) 12.349 6.294 ( 0.000 0.000 0.987) 0.987 6.405 ( 0.000 0.000 4.303) 4.303 6.411 ( 0.000 0.000 -7.112) 7.112 6.678 ( 0.000 0.000 9.621) 9.621 7.017 ( 0.000 0.000 2.751) 2.751 7.155 ( 0.000 0.000 -7.778) 7.778 7.459 ( 0.000 0.000 10.802) 10.802 7.479 ( 0.000 0.000 -6.306) 6.306 7.536 ( 0.000 0.000 23.810) 23.810 7.650 ( 0.000 0.000 -10.109) 10.109 7.948 ( 0.000 0.000 5.083) 5.083 8.125 ( 0.000 0.000 2.494) 2.494 8.414 ( 0.000 0.000 -10.934) 10.934 9.144 ( 0.000 0.000 -6.380) 6.380 9.402 ( 0.000 0.000 20.214) 20.214 9.677 ( 0.000 0.000 4.770) 4.770 9.971 ( 0.000 0.000 21.742) 21.742 10.004 ( 0.000 0.000 -10.490) 10.490 10.392 ( 0.000 0.000 -7.974) 7.974 10.657 ( 0.000 0.000 -3.693) 3.693 10.680 ( 0.000 0.000 -8.111) 8.111 11.437 ( 0.000 0.000 -4.846) 4.846 11.637 ( 0.000 0.000 -3.212) 3.212 12.188 ( 0.000 0.000 -14.901) 14.901 12.623 ( 0.000 0.000 -12.205) 12.205 13.364 ( 0.000 0.000 11.589) 11.589 14.017 ( 0.000 0.000 8.438) 8.438 14.032 ( 0.000 0.000 9.090) 9.090 14.120 ( 0.000 0.000 2.977) 2.977 15.086 ( 0.000 0.000 7.834) 7.834 15.336 ( 0.000 0.000 8.582) 8.582 15.785 ( 0.000 0.000 3.301) 3.301 15.886 ( 0.000 0.000 13.351) 13.351 16.241 ( 0.000 0.000 17.261) 17.261 17.504 ( 0.000 0.000 -12.360) 12.360 17.582 ( 0.000 0.000 -2.518) 2.518 17.688 ( 0.000 0.000 -12.274) 12.274 21.482 ( 0.000 0.000 10.045) 10.045 22.133 ( 0.000 0.000 9.582) 9.582 22.911 ( 0.000 0.000 -10.334) 10.334 23.599 ( 0.000 0.000 -7.833) 7.833 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.460 ( 11.437 0.000 25.615) 28.052 1.592 ( 11.303 0.000 26.761) 29.050 2.645 ( 24.322 0.000 42.247) 48.748 2.823 ( 6.056 0.000 2.914) 6.720 3.089 ( 3.664 0.000 8.006) 8.804 3.215 ( 1.391 0.000 -2.659) 3.000 3.343 ( -2.222 0.000 -5.257) 5.707 3.478 ( 4.018 0.000 0.172) 4.021 3.925 ( 0.135 0.000 -1.801) 1.806 3.992 ( -7.748 0.000 -19.957) 21.408 4.200 ( -7.922 0.000 -3.724) 8.754 4.222 ( -15.931 0.000 -12.146) 20.034 4.592 ( 7.156 0.000 -13.007) 14.845 4.982 ( 0.965 0.000 -10.607) 10.651 5.184 ( 2.623 0.000 -10.235) 10.565 5.412 ( -4.007 0.000 -0.250) 4.015 5.444 ( -17.141 0.000 8.463) 19.116 5.798 ( -4.368 0.000 4.752) 6.455 6.030 ( 7.624 0.000 9.793) 12.411 6.188 ( -7.770 0.000 0.857) 7.817 6.371 ( -0.434 0.000 1.013) 1.102 6.474 ( 3.371 0.000 -1.545) 3.708 6.701 ( 1.986 0.000 6.808) 7.092 6.976 ( -2.167 0.000 0.811) 2.314 7.139 ( 0.217 0.000 2.141) 2.152 7.357 ( -11.142 0.000 7.340) 13.342 7.518 ( 0.265 0.000 -4.094) 4.103 7.610 ( 11.216 0.000 4.468) 12.073 7.709 ( 14.846 0.000 16.535) 22.222 8.140 ( 1.461 0.000 -6.868) 7.021 8.321 ( 19.996 0.000 -10.650) 22.655 8.492 ( 9.548 0.000 -5.396) 10.968 9.123 ( -2.411 0.000 -5.900) 6.373 9.447 ( 3.605 0.000 18.593) 18.939 9.785 ( 11.283 0.000 4.326) 12.083 9.847 ( -12.147 0.000 -11.008) 16.393 9.982 ( 1.177 0.000 21.398) 21.430 10.518 ( 7.224 0.000 -6.325) 9.602 10.660 ( 2.412 0.000 -3.309) 4.095 10.674 ( -0.584 0.000 -6.822) 6.847 11.400 ( -3.452 0.000 -3.278) 4.760 11.569 ( -6.462 0.000 -3.144) 7.186 12.208 ( 1.506 0.000 -15.442) 15.515 12.571 ( -5.369 0.000 -11.547) 12.734 13.328 ( -3.339 0.000 11.951) 12.409 13.791 ( -16.548 0.000 19.732) 25.753 14.018 ( -0.040 0.000 7.792) 7.792 14.132 ( -0.540 0.000 1.896) 1.971 15.088 ( 0.503 0.000 7.012) 7.030 15.333 ( -0.044 0.000 3.876) 3.876 15.763 ( -1.770 0.000 1.441) 2.283 15.934 ( 3.714 0.000 3.979) 5.443 16.380 ( 13.016 0.000 19.060) 23.081 17.307 ( -14.042 0.000 -13.958) 19.799 17.599 ( -9.066 0.000 -14.372) 16.992 17.691 ( 5.086 0.000 -2.186) 5.536 21.650 ( 13.703 0.000 7.578) 15.659 22.174 ( 4.264 0.000 9.697) 10.593 22.871 ( -4.031 0.000 -9.792) 10.589 23.573 ( -2.755 0.000 -7.496) 7.987 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.745 ( 16.654 0.000 14.840) 22.307 1.850 ( 14.825 0.000 16.405) 22.111 2.985 ( 5.204 0.000 -5.326) 7.446 3.019 ( -4.146 0.000 0.040) 4.146 3.226 ( 23.447 0.000 15.159) 27.921 3.248 ( -0.788 0.000 3.595) 3.680 3.294 ( 3.787 0.000 2.216) 4.388 3.541 ( 2.602 0.000 5.193) 5.809 3.782 ( -12.656 0.000 -7.148) 14.535 3.857 ( -19.876 0.000 -12.301) 23.374 4.040 ( 10.885 0.000 -0.258) 10.888 4.078 ( -1.867 0.000 -11.604) 11.753 4.745 ( 6.958 0.000 -9.056) 11.420 4.979 ( -1.858 0.000 -5.917) 6.202 5.029 ( -16.351 0.000 -8.640) 18.494 5.318 ( 4.186 0.000 -0.121) 4.187 5.405 ( 2.104 0.000 -7.041) 7.349 5.612 ( -11.134 0.000 5.710) 12.513 6.083 ( -3.882 0.000 11.303) 11.952 6.115 ( 0.560 0.000 4.849) 4.882 6.304 ( -4.941 0.000 -4.029) 6.376 6.610 ( 8.964 0.000 -2.523) 9.313 6.759 ( 4.507 0.000 8.186) 9.345 6.933 ( -3.010 0.000 2.210) 3.734 7.179 ( 2.968 0.000 9.773) 10.213 7.229 ( -1.275 0.000 -1.110) 1.691 7.540 ( 1.265 0.000 -5.420) 5.565 7.853 ( 11.003 0.000 -0.204) 11.005 8.027 ( 16.455 0.000 10.857) 19.714 8.122 ( -0.785 0.000 -8.532) 8.568 8.575 ( 9.007 0.000 0.250) 9.010 8.799 ( 16.379 0.000 -4.737) 17.050 9.046 ( -5.367 0.000 -4.946) 7.298 9.436 ( -8.700 0.000 3.711) 9.458 9.679 ( -0.463 0.000 -3.867) 3.894 10.020 ( 3.000 0.000 19.866) 20.092 10.099 ( 19.226 0.000 4.346) 19.711 10.543 ( -1.244 0.000 3.293) 3.520 10.666 ( 0.628 0.000 -4.038) 4.086 10.795 ( 5.918 0.000 -7.083) 9.230 11.340 ( -1.569 0.000 -0.428) 1.627 11.417 ( -7.407 0.000 -4.000) 8.418 12.220 ( -0.874 0.000 -16.631) 16.654 12.411 ( -11.164 0.000 -9.895) 14.918 13.270 ( -1.278 0.000 13.016) 13.079 13.558 ( -6.957 0.000 20.496) 21.644 14.010 ( -0.886 0.000 5.549) 5.619 14.106 ( -1.970 0.000 2.557) 3.228 15.122 ( 3.394 0.000 2.237) 4.065 15.345 ( 1.325 0.000 -3.264) 3.523 15.732 ( -1.136 0.000 -0.929) 1.467 16.011 ( 4.461 0.000 -7.486) 8.715 16.695 ( 18.112 0.000 18.439) 25.846 16.989 ( -18.258 0.000 -19.133) 26.446 17.349 ( -16.057 0.000 -19.244) 25.063 17.752 ( 1.127 0.000 0.584) 1.269 21.903 ( 11.172 0.000 6.842) 13.101 22.302 ( 8.845 0.000 9.438) 12.935 22.759 ( -7.273 0.000 -8.272) 11.015 23.486 ( -6.324 0.000 -6.323) 8.943 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.067 ( 15.447 0.000 4.316) 16.039 2.167 ( 17.468 0.000 6.261) 18.557 2.780 ( -12.632 0.000 -7.766) 14.829 3.096 ( -3.000 0.000 3.258) 4.429 3.119 ( -11.455 0.000 -5.562) 12.734 3.321 ( 10.370 0.000 -1.877) 10.539 3.447 ( -4.001 0.000 -5.091) 6.475 3.498 ( -13.853 0.000 -14.058) 19.737 3.580 ( -7.546 0.000 -2.450) 7.934 3.880 ( 22.976 0.000 12.380) 26.099 4.161 ( 9.604 0.000 -4.405) 10.565 4.206 ( 0.883 0.000 -4.946) 5.025 4.715 ( -5.016 0.000 -6.690) 8.361 4.905 ( 1.551 0.000 -4.996) 5.232 4.926 ( -2.038 0.000 1.617) 2.601 5.325 ( -9.579 0.000 4.814) 10.721 5.451 ( 9.269 0.000 -6.013) 11.049 5.574 ( 6.468 0.000 -11.745) 13.408 6.002 ( -5.022 0.000 17.230) 17.947 6.053 ( -6.475 0.000 -0.918) 6.539 6.236 ( -0.816 0.000 -7.567) 7.611 6.679 ( -5.487 0.000 -5.097) 7.489 6.883 ( 7.782 0.000 13.649) 15.712 6.948 ( 7.437 0.000 2.231) 7.765 7.214 ( -0.037 0.000 12.961) 12.961 7.251 ( 1.562 0.000 -5.927) 6.130 7.571 ( 2.321 0.000 -6.597) 6.994 7.893 ( -5.222 0.000 -12.057) 13.139 8.254 ( 12.868 0.000 -0.464) 12.877 8.324 ( 13.852 0.000 6.781) 15.423 8.745 ( 8.740 0.000 1.812) 8.926 8.923 ( -7.170 0.000 -3.579) 8.014 8.980 ( -0.237 0.000 12.150) 12.152 9.200 ( -11.226 0.000 -11.507) 16.076 9.802 ( 11.340 0.000 0.864) 11.373 10.100 ( 5.219 0.000 18.496) 19.218 10.378 ( 4.425 0.000 6.952) 8.241 10.530 ( -1.309 0.000 9.089) 9.183 10.779 ( -4.817 0.000 -4.101) 6.326 10.814 ( 18.353 0.000 -3.871) 18.757 11.199 ( -10.564 0.000 -0.782) 10.593 11.498 ( 12.113 0.000 -6.645) 13.816 12.135 ( -17.071 0.000 -7.992) 18.849 12.158 ( -5.665 0.000 -16.569) 17.511 13.301 ( 4.021 0.000 11.806) 12.472 13.481 ( -1.948 0.000 16.130) 16.247 13.986 ( -1.318 0.000 3.138) 3.404 14.058 ( -2.865 0.000 3.031) 4.170 15.220 ( 6.213 0.000 -2.737) 6.789 15.379 ( 1.839 0.000 -7.571) 7.791 15.736 ( 2.500 0.000 -5.499) 6.041 16.127 ( 7.914 0.000 -16.208) 18.037 16.596 ( -20.808 0.000 -24.115) 31.852 16.999 ( -19.046 0.000 -23.838) 30.512 17.063 ( 18.072 0.000 15.203) 23.616 17.730 ( -3.505 0.000 3.219) 4.759 22.089 ( 8.402 0.000 5.406) 9.991 22.516 ( 12.970 0.000 7.668) 15.067 22.597 ( -9.020 0.000 -5.845) 10.749 23.322 ( -10.514 0.000 -3.951) 11.232 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.327 ( 11.490 0.000 -4.021) 12.173 2.514 ( 17.747 0.000 0.308) 17.749 2.544 ( -11.426 0.000 -8.699) 14.361 2.845 ( -15.917 0.000 -2.760) 16.155 3.061 ( 2.091 0.000 2.834) 3.522 3.194 ( -10.714 0.000 -2.667) 11.041 3.404 ( 0.366 0.000 -6.937) 6.947 3.458 ( -4.905 0.000 -5.167) 7.124 3.674 ( 17.846 0.000 -12.882) 22.010 4.019 ( -16.248 0.000 -12.097) 20.256 4.186 ( 10.447 0.000 -0.307) 10.452 4.300 ( 0.307 0.000 1.949) 1.973 4.768 ( 6.893 0.000 -3.906) 7.923 4.884 ( -3.979 0.000 -4.190) 5.778 4.973 ( 7.243 0.000 7.195) 10.209 5.144 ( -9.080 0.000 7.051) 11.496 5.663 ( 11.749 0.000 -5.669) 13.045 5.731 ( 8.569 0.000 -6.247) 10.604 5.884 ( -10.425 0.000 -3.902) 11.131 5.884 ( -6.968 0.000 9.336) 11.650 6.296 ( 6.952 0.000 -6.254) 9.352 6.488 ( -11.557 0.000 -6.354) 13.188 7.040 ( 7.773 0.000 15.939) 17.734 7.123 ( 8.403 0.000 -0.346) 8.410 7.166 ( -4.796 0.000 15.229) 15.966 7.240 ( -3.266 0.000 -3.597) 4.859 7.644 ( 5.186 0.000 -9.656) 10.961 7.765 ( -6.880 0.000 -11.781) 13.643 8.523 ( 14.113 0.000 -1.308) 14.174 8.568 ( 11.280 0.000 2.663) 11.591 8.766 ( -9.035 0.000 -1.044) 9.096 8.797 ( -13.452 0.000 2.026) 13.604 8.915 ( 7.792 0.000 3.620) 8.591 9.055 ( -6.291 0.000 -0.859) 6.349 10.078 ( 15.824 0.000 3.613) 16.231 10.218 ( 6.605 0.000 15.536) 16.881 10.340 ( -5.357 0.000 11.308) 12.513 10.378 ( -13.751 0.000 6.805) 15.343 10.798 ( 7.125 0.000 0.910) 7.183 10.985 ( -10.956 0.000 0.813) 10.986 11.276 ( 25.515 0.000 -4.847) 25.972 11.749 ( -22.374 0.000 -6.298) 23.243 11.761 ( 13.606 0.000 -10.768) 17.351 12.000 ( -10.443 0.000 -14.295) 17.704 13.391 ( 4.314 0.000 11.274) 12.071 13.451 ( -1.865 0.000 12.876) 13.011 13.972 ( 0.289 0.000 2.082) 2.102 14.002 ( -2.548 0.000 2.479) 3.555 15.333 ( 4.689 0.000 -3.311) 5.740 15.391 ( -1.143 0.000 -5.937) 6.046 15.874 ( 12.289 0.000 -17.004) 20.980 16.195 ( -19.492 0.000 -24.370) 31.206 16.331 ( 13.156 0.000 -22.544) 26.102 16.635 ( -17.671 0.000 -25.317) 30.875 17.383 ( 14.313 0.000 10.371) 17.675 17.610 ( -8.887 0.000 6.299) 10.893 22.249 ( 8.313 0.000 1.769) 8.499 22.418 ( -9.099 0.000 -2.408) 9.412 22.794 ( 15.008 0.000 4.085) 15.554 23.081 ( -13.969 0.000 -0.257) 13.971 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.593 ( 0.000 17.968 23.588) 29.652 1.616 ( 0.000 13.666 27.400) 30.619 2.614 ( 0.000 19.920 40.029) 44.711 2.736 ( 0.000 -3.101 5.097) 5.966 2.958 ( 0.000 -5.149 11.751) 12.830 3.282 ( 0.000 -3.978 -1.732) 4.339 3.369 ( 0.000 4.533 -9.581) 10.599 3.396 ( 0.000 -1.864 -7.063) 7.304 3.847 ( 0.000 -12.305 -4.802) 13.209 4.071 ( 0.000 1.394 -18.872) 18.924 4.089 ( 0.000 5.760 -6.790) 8.904 4.505 ( 0.000 -1.047 -13.910) 13.950 4.630 ( 0.000 7.209 -6.944) 10.010 4.957 ( 0.000 0.240 -8.068) 8.071 5.209 ( 0.000 3.283 -6.639) 7.406 5.555 ( 0.000 -8.646 6.586) 10.869 5.557 ( 0.000 5.760 3.187) 6.583 5.753 ( 0.000 -8.120 1.478) 8.253 6.002 ( 0.000 5.461 5.453) 7.717 6.048 ( 0.000 -8.101 3.934) 9.006 6.390 ( 0.000 -0.249 8.970) 8.973 6.445 ( 0.000 0.669 -6.867) 6.900 6.966 ( 0.000 -0.517 1.073) 1.191 7.074 ( 0.000 17.887 2.770) 18.100 7.171 ( 0.000 2.027 -7.705) 7.967 7.457 ( 0.000 2.062 8.838) 9.075 7.492 ( 0.000 -0.084 -4.120) 4.120 7.607 ( 0.000 -1.537 -5.741) 5.943 7.677 ( 0.000 11.755 23.247) 26.050 7.955 ( 0.000 0.694 2.434) 2.531 8.092 ( 0.000 -2.875 -0.502) 2.919 8.417 ( 0.000 0.431 -8.140) 8.151 9.013 ( 0.000 -11.554 -5.244) 12.688 9.132 ( 0.000 -15.913 20.052) 25.598 9.762 ( 0.000 3.658 0.851) 3.755 10.038 ( 0.000 6.182 19.638) 20.588 10.276 ( 0.000 18.815 -7.241) 20.160 10.309 ( 0.000 -6.727 -6.984) 9.697 10.617 ( 0.000 -3.476 -3.736) 5.102 10.655 ( 0.000 -2.164 -5.162) 5.597 11.559 ( 0.000 10.090 -6.747) 12.138 11.649 ( 0.000 0.327 -2.803) 2.822 12.142 ( 0.000 -4.048 -14.241) 14.806 12.551 ( 0.000 -6.331 -11.455) 13.088 13.374 ( 0.000 2.010 11.890) 12.059 13.913 ( 0.000 -7.042 16.021) 17.501 13.983 ( 0.000 -3.358 9.089) 9.690 14.060 ( 0.000 -5.099 3.608) 6.246 15.315 ( 0.000 20.687 7.025) 21.847 15.436 ( 0.000 6.153 10.484) 12.156 15.859 ( 0.000 -2.422 13.418) 13.634 15.969 ( 0.000 14.133 -3.103) 14.469 16.267 ( 0.000 2.343 16.177) 16.346 17.473 ( 0.000 -10.220 -1.560) 10.339 17.517 ( 0.000 1.252 -12.308) 12.371 17.677 ( 0.000 -1.063 -12.284) 12.329 21.407 ( 0.000 -4.655 11.356) 12.274 22.040 ( 0.000 -8.510 8.662) 12.143 22.923 ( 0.000 1.247 -10.295) 10.371 23.510 ( 0.000 -7.916 -8.233) 11.421 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.703 ( 10.640 16.987 19.898) 28.244 1.746 ( 10.963 13.515 23.132) 28.947 2.777 ( 11.209 6.474 18.093) 22.247 2.794 ( 10.853 4.198 18.703) 22.028 3.026 ( 4.643 -6.585 9.618) 12.547 3.227 ( -4.034 -1.956 -5.240) 6.896 3.353 ( -1.697 1.095 -8.454) 8.691 3.471 ( 5.456 -0.061 -3.848) 6.676 3.800 ( -4.307 -14.521 -7.212) 16.776 4.063 ( 2.262 9.230 -7.873) 12.341 4.067 ( -4.606 5.026 -12.356) 14.112 4.466 ( -13.545 8.331 -5.155) 16.717 4.563 ( 3.625 -1.664 -11.664) 12.327 4.945 ( -0.090 -1.457 -9.125) 9.241 5.209 ( -2.985 -2.767 -10.048) 10.841 5.378 ( -5.596 -0.713 3.597) 6.690 5.496 ( -10.720 2.318 3.603) 11.544 5.811 ( -0.320 1.821 5.665) 5.959 5.970 ( -0.011 -4.602 4.208) 6.236 6.124 ( 5.801 -4.255 2.235) 7.533 6.336 ( -6.785 0.514 -0.840) 6.856 6.448 ( 3.545 -0.554 6.957) 7.828 6.849 ( -7.720 2.086 -6.449) 10.273 7.113 ( -2.211 -0.017 5.885) 6.286 7.165 ( 7.637 16.465 2.496) 18.321 7.369 ( -9.439 -0.077 6.027) 11.199 7.544 ( 0.328 1.472 -1.568) 2.175 7.660 ( 12.815 6.669 3.257) 14.809 7.786 ( 12.149 7.412 17.466) 22.530 8.124 ( 3.112 -1.201 -7.060) 7.808 8.297 ( 18.339 -2.252 -10.999) 21.503 8.477 ( 9.204 -0.918 -4.031) 10.090 8.981 ( -3.358 -12.208 -4.676) 13.498 9.208 ( 7.910 -15.691 19.972) 26.602 9.745 ( -2.655 2.248 -0.819) 3.574 10.039 ( 1.023 6.926 14.570) 16.164 10.147 ( -3.670 9.960 0.352) 10.620 10.503 ( 7.837 1.264 -6.876) 10.502 10.622 ( 3.223 -2.939 -4.045) 5.948 10.636 ( -1.913 -2.841 -3.516) 4.908 11.509 ( -5.024 7.216 -4.030) 9.672 11.597 ( -4.820 3.409 -4.181) 7.234 12.140 ( -0.578 -5.826 -13.908) 15.090 12.513 ( -3.814 -5.190 -11.909) 13.539 13.357 ( -1.554 3.351 11.733) 12.301 13.761 ( -11.625 -1.690 19.990) 23.186 13.986 ( 0.038 -3.094 8.927) 9.448 14.063 ( -0.418 -5.768 2.669) 6.369 15.289 ( -1.700 15.925 6.421) 17.255 15.452 ( 1.482 11.186 5.171) 12.412 15.846 ( -1.273 1.305 7.256) 7.481 15.981 ( 1.455 9.145 -3.976) 10.078 16.394 ( 11.984 1.268 17.759) 21.462 17.288 ( -12.836 -2.604 -11.820) 17.642 17.585 ( -8.503 -1.571 -13.727) 16.223 17.619 ( 3.593 -5.719 -4.036) 7.867 21.555 ( 12.686 -6.571 9.910) 17.388 22.082 ( 4.397 -8.387 8.870) 12.975 22.883 ( -4.058 1.233 -9.775) 10.655 23.483 ( -2.877 -8.051 -7.859) 11.613 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.956 ( 13.157 14.510 12.631) 23.307 1.985 ( 14.272 12.142 15.335) 24.213 2.900 ( 4.583 -6.827 -1.441) 8.348 3.029 ( -4.142 -2.426 2.510) 5.417 3.143 ( 4.338 -1.093 0.235) 4.480 3.194 ( 6.987 -4.556 6.281) 10.441 3.319 ( 2.782 3.717 -3.942) 6.091 3.567 ( 4.346 2.395 2.572) 5.589 3.721 ( -2.245 -12.496 -5.825) 13.969 3.908 ( -10.281 7.080 -8.634) 15.178 4.098 ( -12.564 3.932 -8.092) 15.453 4.253 ( 7.908 16.763 1.254) 18.577 4.655 ( 3.872 -7.862 -5.863) 10.545 4.937 ( -3.585 1.819 -6.173) 7.366 5.063 ( -7.462 -2.453 -10.344) 12.989 5.349 ( 2.553 -4.211 -6.311) 8.005 5.371 ( -2.668 3.366 -0.037) 4.296 5.647 ( -9.614 3.557 3.196) 10.737 6.045 ( 0.895 -3.348 1.583) 3.810 6.178 ( -2.447 3.247 5.478) 6.822 6.214 ( -1.059 -3.572 2.305) 4.381 6.565 ( 7.364 -2.361 4.436) 8.916 6.795 ( 2.697 4.427 -6.294) 8.154 7.083 ( -1.671 2.967 6.635) 7.458 7.223 ( -3.322 2.403 6.299) 7.516 7.317 ( 4.906 13.259 3.451) 14.553 7.566 ( 1.921 1.376 -0.893) 2.526 7.894 ( 9.296 3.509 2.473) 10.240 8.069 ( 10.474 1.601 1.539) 10.707 8.136 ( 5.049 5.142 -1.173) 7.301 8.536 ( 9.806 -3.268 -1.161) 10.402 8.763 ( 12.050 -4.110 -3.318) 13.156 8.897 ( -3.927 -10.684 -3.823) 12.008 9.401 ( 9.062 -8.132 11.413) 16.689 9.656 ( -4.077 3.296 -4.882) 7.164 10.097 ( 2.352 6.716 16.107) 17.609 10.179 ( 9.268 3.691 1.711) 10.122 10.531 ( -0.937 -1.165 3.288) 3.612 10.593 ( -0.991 -4.656 -1.310) 4.937 10.797 ( 8.968 0.725 -8.875) 12.638 11.396 ( -4.631 0.148 -2.044) 5.064 11.481 ( -6.776 9.050 -4.145) 12.042 12.098 ( -4.383 -9.410 -13.211) 16.801 12.401 ( -7.778 -2.423 -12.800) 15.173 13.331 ( -0.359 5.687 11.761) 13.069 13.578 ( -6.095 2.057 19.562) 20.593 13.978 ( -0.917 -2.935 6.557) 7.242 14.043 ( -1.462 -5.511 3.110) 6.495 15.288 ( 2.244 12.607 -0.679) 12.823 15.489 ( 2.163 14.418 -0.283) 14.582 15.822 ( -0.920 5.456 0.952) 5.614 16.026 ( 3.329 3.869 -8.940) 10.294 16.686 ( 16.828 -0.955 17.140) 24.039 16.992 ( -17.311 -0.025 -17.988) 24.965 17.337 ( -15.980 -1.094 -19.099) 24.926 17.665 ( 0.625 -8.141 0.013) 8.165 21.809 ( 12.204 -7.146 8.726) 16.618 22.212 ( 8.858 -8.207 8.836) 14.963 22.770 ( -7.381 1.144 -8.261) 11.137 23.394 ( -6.432 -8.296 -6.617) 12.408 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.207 ( 13.217 9.994 5.683) 17.518 2.279 ( 14.502 9.923 6.752) 18.825 2.846 ( -7.985 0.597 -2.995) 8.550 2.915 ( -7.802 -2.715 -4.962) 9.637 3.153 ( -4.554 -3.464 -7.299) 9.275 3.238 ( 5.676 -6.340 0.704) 8.539 3.372 ( -2.476 -3.033 -12.942) 13.521 3.611 ( -2.559 7.988 5.723) 10.154 3.662 ( -9.906 0.472 -5.910) 11.545 3.846 ( 3.945 -12.710 3.779) 13.835 3.933 ( 5.333 4.232 -1.821) 7.047 4.456 ( 2.946 8.750 -3.099) 9.739 4.659 ( 0.818 -8.798 -1.744) 9.006 4.850 ( -0.940 6.217 -6.948) 9.371 5.001 ( -0.910 1.308 -0.407) 1.645 5.313 ( -4.941 0.246 -0.065) 4.947 5.467 ( 7.396 -0.789 -11.544) 13.733 5.567 ( 3.783 0.002 -7.497) 8.397 5.956 ( -5.977 -4.894 -3.534) 8.495 6.159 ( -3.064 10.645 11.198) 15.751 6.223 ( 3.264 0.335 -2.532) 4.145 6.680 ( 1.395 -2.104 2.546) 3.585 6.875 ( 3.784 6.304 1.398) 7.484 7.078 ( 3.616 4.189 0.643) 5.571 7.197 ( -0.106 -0.634 7.551) 7.579 7.371 ( 0.380 10.151 5.051) 11.345 7.611 ( 2.497 2.488 -1.258) 3.743 7.888 ( -6.389 -0.831 -10.978) 12.729 8.242 ( 11.199 -0.273 3.935) 11.873 8.387 ( 13.346 5.761 7.064) 16.162 8.735 ( 9.094 -1.267 -0.557) 9.199 8.751 ( -4.641 -10.566 -3.298) 12.002 8.926 ( 0.203 -4.426 10.796) 11.670 9.383 ( -8.547 11.663 -6.302) 15.773 9.763 ( 12.731 -3.359 -0.002) 13.167 10.148 ( 3.188 2.684 14.580) 15.164 10.371 ( 4.102 -0.595 5.446) 6.844 10.500 ( -0.443 -0.997 9.196) 9.261 10.705 ( 11.811 -4.555 -1.762) 12.781 10.865 ( 1.408 3.953 -5.724) 7.097 11.302 ( -8.903 7.231 -4.632) 12.370 11.462 ( 9.153 -2.683 -4.144) 10.400 11.946 ( -11.692 -11.438 -10.753) 19.574 12.212 ( -11.245 -0.975 -13.313) 17.454 13.361 ( 3.285 5.505 10.927) 12.668 13.511 ( -1.601 2.900 15.300) 15.654 13.953 ( -1.367 -3.017 3.830) 5.064 14.007 ( -2.233 -4.559 3.748) 6.310 15.380 ( 6.697 12.411 -7.788) 16.110 15.533 ( 2.199 14.872 -3.975) 15.550 15.822 ( 1.508 7.182 -3.434) 8.102 16.126 ( 7.320 1.038 -16.016) 17.640 16.615 ( -20.037 1.644 -23.239) 30.728 16.989 ( -18.951 -0.881 -23.627) 30.301 17.027 ( 16.622 -3.547 13.962) 21.996 17.639 ( -3.373 -8.678 2.717) 9.698 22.024 ( 10.136 -5.110 6.417) 13.039 22.423 ( 12.551 -8.220 7.155) 16.623 22.605 ( -9.154 0.714 -5.610) 10.760 23.228 ( -10.553 -8.446 -4.182) 14.149 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.461 ( 12.172 8.847 -2.268) 15.218 2.530 ( 11.170 4.032 2.319) 12.100 2.675 ( -9.212 9.057 -7.634) 15.006 2.740 ( -9.657 -3.921 -0.851) 10.458 3.093 ( -0.481 -0.281 -5.277) 5.307 3.160 ( -6.952 -0.771 -5.773) 9.069 3.434 ( 2.658 -2.083 -4.813) 5.880 3.499 ( -5.577 0.006 -2.956) 6.312 3.643 ( 8.600 0.621 -0.850) 8.664 3.814 ( -5.788 -12.309 -1.596) 13.695 4.122 ( 8.917 -5.730 -0.970) 10.643 4.308 ( -10.634 -3.770 -5.235) 12.438 4.789 ( 6.203 0.536 -2.590) 6.743 4.848 ( -0.553 2.009 -5.139) 5.545 5.042 ( 5.318 3.984 1.611) 6.838 5.180 ( -7.760 3.635 1.162) 8.648 5.600 ( 6.782 -4.141 -8.821) 11.872 5.685 ( 1.118 -7.387 -9.816) 12.336 5.911 ( 4.210 7.523 -6.897) 11.040 6.053 ( -7.238 11.167 0.013) 13.308 6.341 ( 8.824 4.526 3.859) 10.641 6.553 ( -11.405 4.114 1.572) 12.226 6.999 ( 7.802 1.287 7.347) 10.793 7.121 ( -3.310 -1.055 3.680) 5.061 7.242 ( 5.788 5.187 5.050) 9.268 7.339 ( -3.455 6.442 3.634) 8.164 7.665 ( 3.438 1.493 -4.278) 5.688 7.758 ( -6.070 -0.629 -8.700) 10.626 8.441 ( 9.031 -3.757 1.912) 9.967 8.586 ( -2.126 -5.699 4.466) 7.545 8.656 ( 6.022 -1.444 4.734) 7.795 8.829 ( -6.967 -4.313 15.615) 17.635 8.970 ( 10.682 7.704 -6.608) 14.735 9.186 ( -10.912 12.108 -8.534) 18.398 10.025 ( 12.717 -4.558 5.236) 14.488 10.187 ( -1.726 -5.447 9.929) 11.456 10.356 ( -0.124 4.466 10.529) 11.438 10.447 ( -6.813 5.407 6.711) 10.985 10.842 ( 8.569 3.899 -1.021) 9.470 11.029 ( -5.130 2.924 -2.324) 6.345 11.238 ( 16.213 -1.929 -3.026) 16.605 11.632 ( -17.595 -9.543 -5.711) 20.815 11.712 ( 12.146 -4.989 -11.022) 17.144 11.975 ( -13.000 -3.246 -12.930) 18.620 13.436 ( 3.648 4.175 10.567) 11.934 13.486 ( -1.540 3.371 12.097) 12.652 13.938 ( 0.136 -3.137 2.769) 4.187 13.962 ( -2.107 -3.627 3.197) 5.274 15.506 ( 4.996 14.768 -6.246) 16.795 15.557 ( -0.319 15.011 -5.365) 15.944 15.927 ( 10.552 4.951 -14.413) 18.536 16.221 ( -17.289 2.252 -23.212) 29.031 16.329 ( 11.500 0.390 -22.299) 25.093 16.626 ( -17.571 -0.603 -25.058) 30.610 17.321 ( 13.077 -6.069 9.401) 17.211 17.528 ( -8.131 -7.913 5.620) 12.662 22.216 ( 9.795 -2.504 2.264) 10.360 22.409 ( -9.923 -0.554 -2.171) 10.173 22.702 ( 14.780 -8.245 3.855) 17.358 22.987 ( -13.922 -8.444 -0.452) 16.288 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.978 ( 0.000 18.502 16.097) 24.524 1.983 ( 0.000 19.860 20.167) 28.304 2.624 ( 0.000 -7.930 8.312) 11.488 2.769 ( 0.000 -12.227 12.145) 17.234 3.003 ( 0.000 3.487 11.192) 11.723 3.073 ( 0.000 -10.715 -1.982) 10.897 3.291 ( 0.000 5.188 -1.966) 5.548 3.511 ( 0.000 4.073 -23.670) 24.018 3.872 ( 0.000 11.444 -7.919) 13.917 4.162 ( 0.000 5.869 -9.788) 11.412 4.230 ( 0.000 4.636 -16.625) 17.259 4.435 ( 0.000 -6.676 -11.805) 13.562 4.739 ( 0.000 4.809 -0.085) 4.810 5.034 ( 0.000 7.666 -1.020) 7.734 5.061 ( 0.000 -12.922 2.524) 13.166 5.495 ( 0.000 -9.306 3.123) 9.816 5.634 ( 0.000 9.421 1.979) 9.627 5.730 ( 0.000 10.302 7.375) 12.670 6.003 ( 0.000 0.690 2.508) 2.601 6.038 ( 0.000 -1.137 1.845) 2.167 6.322 ( 0.000 -7.719 12.031) 14.295 6.337 ( 0.000 -10.430 -3.889) 11.131 6.900 ( 0.000 -1.368 -3.282) 3.555 7.135 ( 0.000 -7.157 -14.000) 15.723 7.397 ( 0.000 10.699 -0.349) 10.704 7.549 ( 0.000 6.498 11.632) 13.324 7.583 ( 0.000 8.417 11.398) 14.169 7.623 ( 0.000 1.379 -5.205) 5.385 7.934 ( 0.000 5.355 4.344) 6.895 8.019 ( 0.000 11.239 4.294) 12.031 8.020 ( 0.000 -3.436 -6.452) 7.310 8.451 ( 0.000 3.621 1.607) 3.962 8.699 ( 0.000 -16.924 -1.395) 16.982 8.835 ( 0.000 -12.594 17.749) 21.763 9.843 ( 0.000 4.556 -1.297) 4.737 10.120 ( 0.000 -6.171 -3.838) 7.267 10.246 ( 0.000 8.144 12.264) 14.722 10.525 ( 0.000 -4.114 -2.012) 4.580 10.597 ( 0.000 8.414 -1.927) 8.632 10.611 ( 0.000 -1.219 0.854) 1.488 11.642 ( 0.000 0.135 -4.111) 4.113 11.761 ( 0.000 5.149 -12.169) 13.213 12.067 ( 0.000 0.012 -10.309) 10.309 12.393 ( 0.000 -8.151 -10.970) 13.666 13.475 ( 0.000 7.369 10.224) 12.602 13.827 ( 0.000 -0.984 17.696) 17.723 13.860 ( 0.000 -8.350 8.013) 11.573 13.948 ( 0.000 -4.897 8.324) 9.658 15.558 ( 0.000 5.657 12.595) 13.807 15.772 ( 0.000 -1.303 12.007) 12.077 15.892 ( 0.000 26.767 7.355) 27.759 16.219 ( 0.000 7.795 0.092) 7.796 16.335 ( 0.000 4.526 12.391) 13.192 17.154 ( 0.000 -20.187 0.147) 20.187 17.553 ( 0.000 2.093 -12.203) 12.381 17.645 ( 0.000 -1.873 -12.241) 12.383 21.382 ( 0.000 3.271 9.016) 9.591 21.804 ( 0.000 -12.912 6.929) 14.654 22.973 ( 0.000 3.837 -10.291) 10.983 23.302 ( 0.000 -10.782 -9.184) 14.163 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.047 ( 7.530 16.307 13.129) 22.249 2.106 ( 9.511 19.096 18.005) 27.916 2.664 ( 3.779 -8.323 6.645) 11.301 2.815 ( 3.301 -11.414 10.122) 15.609 3.056 ( 0.383 -7.059 0.753) 7.109 3.119 ( 9.467 -2.622 7.668) 12.462 3.307 ( 1.058 4.970 -6.808) 8.495 3.508 ( -0.557 5.277 -17.899) 18.669 3.777 ( -6.675 7.624 -7.560) 12.642 4.108 ( -8.606 -2.739 -15.356) 17.815 4.261 ( 5.516 8.402 -8.329) 13.054 4.516 ( 5.386 -1.253 -5.590) 7.863 4.657 ( -7.565 7.729 -1.256) 10.888 4.990 ( -2.545 3.588 -2.019) 4.840 5.010 ( -4.207 -8.322 -2.851) 9.751 5.351 ( -9.318 -4.692 2.690) 10.774 5.599 ( -3.958 8.502 1.682) 9.527 5.879 ( 4.260 2.945 4.747) 7.025 5.931 ( -3.563 0.945 0.562) 3.729 6.058 ( 2.692 -2.022 1.506) 3.688 6.277 ( -3.584 -5.991 -1.479) 7.136 6.390 ( 6.609 -5.157 8.841) 12.183 6.876 ( -2.276 0.187 -4.715) 5.239 7.030 ( -4.648 -5.187 0.035) 6.965 7.384 ( -2.794 4.349 4.457) 6.826 7.515 ( 1.470 6.318 4.726) 8.025 7.616 ( 3.435 10.289 0.446) 10.856 7.827 ( 12.141 5.639 4.152) 14.015 7.988 ( 4.401 9.921 12.064) 16.228 8.119 ( 8.358 1.838 -9.224) 12.582 8.236 ( 15.945 -2.787 -8.834) 18.440 8.480 ( 6.857 1.483 1.093) 7.101 8.674 ( -2.584 -14.893 -0.002) 15.115 8.903 ( 7.325 -13.178 18.535) 23.893 9.825 ( -1.745 5.214 -0.247) 5.503 10.122 ( 0.538 -5.495 -2.551) 6.082 10.246 ( 0.228 8.715 10.746) 13.837 10.502 ( -1.920 -4.096 -1.527) 4.775 10.589 ( -1.972 -0.384 2.940) 3.561 10.669 ( 6.950 5.124 -2.973) 9.132 11.560 ( -7.547 1.307 -4.466) 8.866 11.747 ( -1.962 4.160 -11.566) 12.447 12.031 ( -3.708 -0.756 -9.791) 10.497 12.372 ( -2.366 -8.030 -11.765) 14.439 13.480 ( 0.477 8.008 9.801) 12.666 13.758 ( -5.800 1.690 17.814) 18.810 13.872 ( 0.822 -8.144 8.397) 11.726 13.934 ( -1.393 -5.479 7.198) 9.153 15.522 ( -2.243 7.567 7.238) 10.709 15.785 ( 0.939 -4.229 7.891) 9.002 15.924 ( 2.618 28.839 5.271) 29.433 16.225 ( 0.805 9.984 -0.594) 10.034 16.426 ( 8.760 1.787 13.656) 16.322 17.111 ( -4.825 -16.214 -3.138) 17.206 17.510 ( -4.201 -1.818 -10.702) 11.640 17.558 ( -8.463 -1.901 -13.767) 16.272 21.481 ( 9.210 0.949 9.591) 13.331 21.851 ( 4.780 -12.562 7.538) 15.410 22.933 ( -4.028 3.909 -9.807) 11.300 23.271 ( -3.257 -11.027 -8.750) 14.449 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.243 ( 11.861 12.162 7.901) 18.735 2.287 ( 8.693 16.456 13.459) 22.968 2.746 ( 3.599 -8.009 2.776) 9.209 2.865 ( 2.222 -10.170 6.041) 12.036 3.036 ( -1.966 -6.434 -0.889) 6.786 3.302 ( -0.825 -0.876 -13.438) 13.491 3.342 ( 7.687 -3.656 4.492) 9.625 3.471 ( -2.992 6.263 -11.298) 13.260 3.694 ( -1.476 3.468 -2.224) 4.376 3.901 ( -11.161 -6.669 -10.728) 16.856 4.303 ( -4.906 11.625 2.244) 12.816 4.548 ( 2.309 9.623 -3.367) 10.453 4.564 ( -3.063 1.340 0.336) 3.360 4.938 ( -2.054 -7.696 -5.865) 9.892 5.007 ( 3.011 3.746 -7.373) 8.801 5.214 ( -2.623 -6.967 -5.433) 9.216 5.491 ( -5.321 7.726 -0.973) 9.432 5.768 ( -7.155 6.185 -2.155) 9.700 5.921 ( -3.221 -6.786 -4.563) 8.789 6.093 ( 1.343 -5.327 -4.306) 6.981 6.341 ( 7.994 7.834 12.444) 16.737 6.552 ( 9.118 0.840 4.417) 10.166 6.864 ( 2.354 0.422 -6.626) 7.045 7.024 ( 3.146 -6.091 8.268) 10.740 7.312 ( -4.788 7.076 2.860) 9.010 7.551 ( 2.592 -0.774 4.920) 5.615 7.678 ( 0.243 15.523 2.072) 15.663 7.967 ( 0.844 2.282 1.086) 2.664 8.068 ( 5.589 0.451 1.039) 5.703 8.323 ( 9.622 3.201 10.986) 14.951 8.488 ( 14.104 0.850 -4.729) 14.900 8.598 ( -2.616 -6.078 1.044) 6.699 8.734 ( 10.386 -3.951 -3.094) 11.535 9.167 ( 20.015 -12.577 7.575) 24.822 9.776 ( -3.341 7.054 1.195) 7.896 10.129 ( -0.605 -6.338 4.610) 7.860 10.283 ( 4.281 7.271 2.563) 8.818 10.481 ( 0.885 -3.963 1.273) 4.255 10.557 ( -0.282 3.531 7.895) 8.654 10.846 ( 10.475 1.330 -6.470) 12.384 11.380 ( -10.001 1.086 -4.689) 11.099 11.673 ( -5.710 3.153 -10.509) 12.369 11.922 ( -7.585 -2.316 -9.001) 11.997 12.289 ( -6.461 -8.000 -12.184) 15.943 13.492 ( 0.762 9.017 9.077) 12.817 13.651 ( -4.179 4.879 16.387) 17.601 13.884 ( 0.266 -7.207 8.300) 10.995 13.899 ( -1.955 -6.484 5.040) 8.442 15.515 ( 2.080 8.993 -3.250) 9.786 15.815 ( 2.530 -4.530 -1.216) 5.329 15.971 ( 1.973 28.615 2.374) 28.781 16.249 ( 1.605 13.680 -2.587) 14.014 16.646 ( 12.817 -3.188 13.033) 18.555 16.946 ( -12.243 -6.667 -11.933) 18.350 17.307 ( -15.399 -1.425 -18.304) 23.962 17.442 ( -3.720 -10.977 -4.937) 12.598 21.697 ( 12.146 -1.697 9.822) 15.712 21.988 ( 9.198 -11.892 8.216) 17.133 22.819 ( -7.532 4.005 -8.314) 11.912 23.173 ( -6.813 -11.523 -7.364) 15.279 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.450 ( 7.955 12.798 9.078) 17.592 2.484 ( 12.475 9.200 1.917) 15.618 2.774 ( -1.104 -1.437 1.105) 2.123 2.909 ( 2.219 -5.669 -1.063) 6.180 3.019 ( 0.823 -9.001 -0.123) 9.040 3.233 ( -4.938 8.454 -11.377) 15.010 3.329 ( -5.622 -10.840 -8.266) 14.746 3.443 ( -3.795 -5.215 -2.661) 6.977 3.647 ( -1.277 -1.562 0.983) 2.244 3.766 ( -3.726 -3.918 -0.282) 5.414 4.141 ( -8.566 12.164 4.356) 15.502 4.416 ( -11.670 -4.152 4.176) 13.072 4.687 ( 8.897 5.295 -9.395) 13.981 4.918 ( -0.191 -1.745 -6.376) 6.613 5.028 ( 0.905 2.567 -3.583) 4.500 5.250 ( 0.748 -8.297 -13.496) 15.860 5.489 ( 5.756 7.331 -6.621) 11.433 5.661 ( -2.011 7.111 -6.456) 9.813 5.889 ( 1.167 -2.331 -9.251) 9.611 6.130 ( 1.732 -5.539 -7.408) 9.410 6.464 ( 4.613 12.426 16.147) 20.890 6.711 ( 5.655 6.733 3.305) 9.393 6.955 ( 5.666 -3.016 -6.401) 9.065 7.108 ( 2.815 -2.211 2.441) 4.333 7.227 ( -0.858 6.988 8.490) 11.029 7.603 ( 2.366 -3.718 6.212) 7.616 7.620 ( -5.661 11.469 4.408) 13.528 7.868 ( -6.966 -0.261 -5.362) 8.794 8.260 ( 10.246 1.377 10.393) 14.659 8.462 ( 5.054 -6.327 7.376) 10.954 8.511 ( -2.673 -3.853 5.651) 7.344 8.722 ( 2.975 -4.989 12.494) 13.778 8.945 ( 14.760 11.943 -10.302) 21.601 9.545 ( 12.531 -2.783 -1.776) 12.958 9.702 ( -1.271 3.134 -0.418) 3.407 10.094 ( -2.931 -7.910 7.972) 11.606 10.378 ( 4.452 2.084 3.074) 5.798 10.584 ( 10.201 -1.694 4.279) 11.191 10.627 ( 7.375 7.857 5.675) 12.179 11.005 ( 2.167 8.572 -10.082) 13.410 11.259 ( 2.048 -8.850 -4.606) 10.185 11.529 ( -8.318 1.313 -8.287) 11.815 11.729 ( -12.219 -3.289 -7.614) 14.768 12.112 ( -11.682 -8.099 -11.152) 18.068 13.515 ( 1.778 8.537 8.612) 12.256 13.604 ( -1.100 5.733 12.787) 14.057 13.862 ( -1.492 -5.685 4.888) 7.644 13.880 ( -0.793 -6.986 6.097) 9.307 15.615 ( 8.151 9.463 -13.300) 18.245 15.895 ( 5.682 -1.982 -8.247) 10.209 15.996 ( 0.495 26.054 -0.735) 26.069 16.291 ( 2.888 14.977 -6.193) 16.462 16.644 ( -17.046 0.112 -19.681) 26.037 16.903 ( 12.181 -8.539 10.057) 17.957 16.974 ( -17.925 0.051 -22.110) 28.463 17.371 ( -3.956 -16.128 -0.042) 16.606 21.939 ( 12.552 -1.451 7.533) 14.710 22.205 ( 12.809 -11.419 7.015) 18.538 22.645 ( -10.217 3.670 -5.660) 12.243 23.003 ( -10.680 -11.841 -4.770) 16.644 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.588 ( 6.159 7.699 5.356) 11.220 2.683 ( -0.527 3.782 -2.373) 4.496 2.746 ( 7.429 10.205 0.732) 12.644 2.925 ( -5.679 8.838 -6.148) 12.172 3.030 ( 4.198 -5.699 -8.696) 11.213 3.152 ( -5.763 -2.362 -6.137) 8.744 3.249 ( 0.240 -13.122 -1.007) 13.162 3.319 ( -6.174 -10.785 2.070) 12.599 3.702 ( 3.615 -0.099 2.267) 4.268 3.729 ( 1.204 3.968 7.587) 8.646 4.013 ( -2.309 -3.545 -1.648) 4.540 4.150 ( -13.644 -8.610 0.312) 16.137 4.839 ( 5.999 3.937 -9.121) 11.606 4.911 ( -1.506 3.645 -8.131) 9.037 5.088 ( 5.133 -1.441 -7.579) 9.266 5.196 ( -5.050 -5.146 -11.313) 13.415 5.594 ( 4.469 6.276 -9.093) 11.918 5.659 ( -1.390 8.136 -7.594) 11.216 6.000 ( 8.902 -2.712 -13.416) 16.328 6.127 ( -2.951 -4.758 -10.623) 12.009 6.562 ( 6.401 14.828 13.917) 21.319 6.703 ( -6.186 12.474 6.070) 15.190 7.055 ( 4.217 -2.215 -1.104) 4.890 7.101 ( -0.878 -0.182 0.962) 1.315 7.326 ( 7.388 4.467 5.763) 10.381 7.478 ( -8.141 7.038 3.653) 11.365 7.652 ( 3.293 -4.280 5.712) 7.860 7.743 ( -5.725 -1.206 1.924) 6.158 8.405 ( 4.306 0.714 7.599) 8.763 8.456 ( -1.900 -4.112 4.165) 6.154 8.580 ( 6.170 -5.575 12.423) 14.949 8.691 ( -4.467 -7.639 15.293) 17.669 9.239 ( 13.960 16.128 -9.121) 23.199 9.476 ( -10.245 14.150 -4.392) 18.013 9.870 ( 9.667 -10.556 3.013) 14.627 10.013 ( -5.449 -10.474 7.131) 13.793 10.483 ( 7.220 7.792 4.326) 11.470 10.642 ( -6.782 12.832 2.863) 14.793 10.873 ( 16.287 -5.122 -2.492) 17.254 11.069 ( 4.779 4.456 -6.393) 9.141 11.258 ( -4.466 -2.316 -3.746) 6.272 11.451 ( -15.113 -0.761 -3.421) 15.514 11.553 ( 12.874 -9.839 -9.762) 18.917 11.846 ( -15.155 -8.863 -10.129) 20.268 13.557 ( 2.154 6.904 8.653) 11.278 13.588 ( -0.984 5.990 10.002) 11.700 13.846 ( -0.060 -5.508 4.313) 6.996 13.859 ( -1.170 -5.892 5.023) 7.830 15.814 ( 11.023 11.841 -16.636) 23.205 15.965 ( -3.382 19.920 -5.849) 21.035 16.044 ( 8.641 3.495 -12.616) 15.685 16.278 ( -13.592 3.015 -19.218) 23.731 16.418 ( 5.434 10.706 -14.449) 18.786 16.640 ( -15.303 3.677 -21.305) 26.488 17.119 ( 9.589 -13.248 6.279) 17.518 17.274 ( -6.297 -16.170 3.121) 17.631 22.184 ( 12.542 0.553 3.057) 12.921 22.418 ( -9.112 1.434 -1.192) 9.300 22.486 ( 11.875 -10.386 2.971) 16.053 22.762 ( -13.786 -11.797 -0.901) 18.167 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.329 ( 0.000 -6.727 12.593) 14.278 2.329 ( 0.000 6.727 12.593) 14.278 2.449 ( 0.000 -10.158 14.547) 17.743 2.449 ( 0.000 10.158 14.547) 17.743 2.944 ( 0.000 -0.239 -1.889) 1.904 2.944 ( 0.000 0.239 -1.889) 1.904 3.499 ( 0.000 -5.956 -17.003) 18.016 3.499 ( 0.000 5.956 -17.003) 18.016 4.170 ( 0.000 -13.167 -8.842) 15.861 4.170 ( 0.000 13.167 -8.842) 15.861 4.267 ( 0.000 -0.638 -14.574) 14.588 4.267 ( 0.000 0.638 -14.574) 14.588 4.860 ( 0.000 -6.720 5.961) 8.983 4.860 ( 0.000 6.720 5.961) 8.983 5.253 ( 0.000 -11.931 3.132) 12.336 5.253 ( 0.000 11.931 3.132) 12.336 5.869 ( 0.000 -5.500 5.036) 7.457 5.869 ( 0.000 5.500 5.036) 7.457 6.031 ( 0.000 -1.648 3.444) 3.818 6.031 ( 0.000 1.648 3.444) 3.818 6.136 ( 0.000 -0.036 3.836) 3.836 6.136 ( 0.000 0.036 3.836) 3.836 6.966 ( 0.000 -6.907 -8.838) 11.217 6.966 ( 0.000 6.907 -8.838) 11.217 7.562 ( 0.000 -5.077 -1.722) 5.361 7.562 ( 0.000 5.077 -1.722) 5.361 7.679 ( 0.000 -0.906 13.746) 13.775 7.679 ( 0.000 0.906 13.746) 13.775 7.970 ( 0.000 -1.280 -9.490) 9.576 7.970 ( 0.000 1.280 -9.490) 9.576 8.340 ( 0.000 -16.620 1.168) 16.661 8.340 ( 0.000 16.620 1.168) 16.661 8.595 ( 0.000 -9.810 13.684) 16.837 8.595 ( 0.000 9.810 13.684) 16.837 9.965 ( 0.000 -6.986 -3.357) 7.751 9.965 ( 0.000 6.986 -3.357) 7.751 10.422 ( 0.000 -6.191 1.568) 6.387 10.422 ( 0.000 6.191 1.568) 6.387 10.634 ( 0.000 -2.707 7.587) 8.055 10.634 ( 0.000 2.707 7.587) 8.055 11.710 ( 0.000 -5.815 -11.793) 13.149 11.710 ( 0.000 5.815 -11.793) 13.149 12.205 ( 0.000 -9.608 -9.490) 13.505 12.205 ( 0.000 9.608 -9.490) 13.505 13.662 ( 0.000 -9.776 8.240) 12.786 13.662 ( 0.000 9.776 8.240) 12.786 13.858 ( 0.000 -3.375 13.861) 14.266 13.858 ( 0.000 3.375 13.861) 14.266 15.676 ( 0.000 -5.401 13.083) 14.154 15.676 ( 0.000 5.401 13.083) 14.154 16.278 ( 0.000 -3.056 8.006) 8.569 16.278 ( 0.000 3.056 8.006) 8.569 16.641 ( 0.000 -26.425 2.668) 26.559 16.641 ( 0.000 26.425 2.668) 26.559 17.601 ( 0.000 -2.286 -12.166) 12.379 17.601 ( 0.000 2.286 -12.166) 12.379 21.541 ( 0.000 -11.045 6.512) 12.822 21.541 ( 0.000 11.045 6.512) 12.822 23.097 ( 0.000 -8.070 -10.015) 12.862 23.097 ( 0.000 8.070 -10.015) 12.862 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 ( 5.005 -12.343 9.607) 16.422 2.385 ( 5.005 12.343 9.607) 16.422 2.522 ( 5.898 -13.954 13.289) 20.152 2.522 ( 5.898 13.954 13.289) 20.152 2.975 ( 3.285 -2.371 -0.690) 4.110 2.975 ( 3.285 2.371 -0.690) 4.110 3.516 ( 1.577 -5.989 -16.949) 18.045 3.516 ( 1.577 5.989 -16.949) 18.045 3.966 ( -12.718 -9.318 -10.270) 18.816 3.966 ( -12.718 9.318 -10.270) 18.816 4.428 ( 8.434 -7.184 -7.942) 13.632 4.428 ( 8.434 7.184 -7.942) 13.632 4.810 ( -4.062 -7.337 2.767) 8.831 4.810 ( -4.062 7.337 2.767) 8.831 5.193 ( -5.554 -9.683 1.685) 11.289 5.193 ( -5.554 9.683 1.685) 11.289 5.804 ( -5.873 -8.987 1.177) 10.800 5.804 ( -5.873 8.987 1.177) 10.800 6.007 ( -2.846 -4.659 0.124) 5.461 6.007 ( -2.846 4.659 0.124) 5.461 6.248 ( 11.317 -5.980 6.475) 14.345 6.248 ( 11.317 5.980 6.475) 14.345 6.916 ( -3.244 -4.448 -2.926) 6.235 6.916 ( -3.244 4.448 -2.926) 6.235 7.502 ( -2.051 -4.541 3.395) 6.029 7.502 ( -2.051 4.541 3.395) 6.029 7.828 ( 8.846 -5.434 4.857) 11.461 7.828 ( 8.846 5.434 4.857) 11.461 8.125 ( 8.985 -3.580 -7.372) 12.161 8.125 ( 8.985 3.580 -7.372) 12.161 8.324 ( 4.311 -12.231 -0.334) 12.973 8.324 ( 4.311 12.231 -0.334) 12.973 8.654 ( 5.583 -9.873 13.711) 17.794 8.654 ( 5.583 9.873 13.711) 17.794 9.964 ( -0.150 -7.761 -1.278) 7.867 9.964 ( -0.150 7.761 -1.278) 7.867 10.406 ( -1.347 -5.305 -0.422) 5.490 10.406 ( -1.347 5.305 -0.422) 5.490 10.653 ( 2.205 -5.170 8.672) 10.334 10.653 ( 2.205 5.170 8.672) 10.334 11.660 ( -5.005 -7.564 -12.148) 15.160 11.660 ( -5.005 7.564 -12.148) 15.160 12.176 ( -3.011 -10.200 -9.476) 14.245 12.176 ( -3.011 10.200 -9.476) 14.245 13.673 ( 1.031 -9.844 7.917) 12.675 13.673 ( 1.031 9.844 7.917) 12.675 13.828 ( -2.709 -4.518 13.307) 14.311 13.828 ( -2.709 4.518 13.307) 14.311 15.668 ( -0.338 -6.377 7.867) 10.133 15.668 ( -0.338 6.377 7.867) 10.133 16.338 ( 5.554 -1.130 7.583) 9.468 16.338 ( 5.554 1.130 7.583) 9.468 16.642 ( 0.007 -24.824 2.298) 24.930 16.642 ( 0.007 24.824 2.298) 24.930 17.518 ( -8.173 -1.668 -13.397) 15.781 17.518 ( -8.173 1.668 -13.397) 15.781 21.602 ( 6.101 -9.876 7.541) 13.843 21.602 ( 6.101 9.876 7.541) 13.843 23.060 ( -3.740 -8.285 -9.551) 13.185 23.060 ( -3.740 8.285 -9.551) 13.185 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.506 ( 7.147 -11.262 5.034) 14.256 2.506 ( 7.147 11.262 5.034) 14.256 2.630 ( 5.351 -11.871 9.570) 16.160 2.630 ( 5.351 11.871 9.570) 16.160 3.036 ( 1.259 -8.003 -0.109) 8.103 3.036 ( 1.259 8.003 -0.109) 8.103 3.533 ( -1.202 -5.454 -14.798) 15.817 3.533 ( -1.202 5.454 -14.798) 15.817 3.740 ( -9.524 -5.485 -6.998) 13.029 3.740 ( -9.524 5.485 -6.998) 13.029 4.515 ( -1.405 -7.159 3.957) 8.299 4.515 ( -1.405 7.159 3.957) 8.299 4.758 ( -0.505 -9.426 -3.564) 10.090 4.758 ( -0.505 9.426 -3.564) 10.090 5.092 ( -2.348 -4.568 -6.129) 7.996 5.092 ( -2.348 4.568 -6.129) 7.996 5.686 ( -4.992 -9.968 -4.577) 12.051 5.686 ( -4.992 9.968 -4.577) 12.051 5.964 ( -0.916 -6.874 -3.639) 7.831 5.964 ( -0.916 6.874 -3.639) 7.831 6.503 ( 13.046 -6.698 6.855) 16.188 6.503 ( 13.046 6.698 6.855) 16.188 6.895 ( 1.735 -4.773 2.725) 5.763 6.895 ( 1.735 4.773 2.725) 5.763 7.473 ( -1.645 -6.460 2.928) 7.281 7.473 ( -1.645 6.460 2.928) 7.281 7.942 ( -0.357 -6.608 -0.465) 6.634 7.942 ( -0.357 6.608 -0.465) 6.634 8.153 ( 2.950 -10.196 5.889) 12.139 8.153 ( 2.950 10.196 5.889) 12.139 8.537 ( 6.994 -4.992 4.787) 9.836 8.537 ( 6.994 4.992 4.787) 9.836 8.880 ( 19.591 -14.247 0.163) 24.224 8.880 ( 19.591 14.247 0.163) 24.224 9.950 ( -1.708 -9.201 3.219) 9.897 9.950 ( -1.708 9.201 3.219) 9.897 10.391 ( 0.628 -4.115 -0.412) 4.183 10.391 ( 0.628 4.115 -0.412) 4.183 10.737 ( 6.897 -10.261 6.665) 14.046 10.737 ( 6.897 10.261 6.665) 14.046 11.521 ( -9.015 -10.778 -12.881) 19.062 11.521 ( -9.015 10.778 -12.881) 19.062 12.081 ( -6.975 -11.126 -8.835) 15.827 12.081 ( -6.975 11.126 -8.835) 15.827 13.692 ( 0.678 -9.646 7.098) 11.996 13.692 ( 0.678 9.646 7.098) 11.996 13.773 ( -2.421 -6.086 11.657) 13.371 13.773 ( -2.421 6.086 11.657) 13.371 15.686 ( 2.725 -7.316 -2.551) 8.213 15.686 ( 2.725 7.316 -2.551) 8.213 16.458 ( 5.556 -1.729 4.197) 7.174 16.458 ( 5.556 1.729 4.197) 7.174 16.637 ( -0.398 -15.964 1.211) 16.014 16.637 ( -0.398 15.964 1.211) 16.014 17.305 ( -12.932 -2.134 -15.331) 20.170 17.305 ( -12.932 2.134 -15.331) 20.170 21.766 ( 10.399 -7.905 8.720) 15.705 21.766 ( 10.399 7.905 8.720) 15.705 22.952 ( -7.320 -8.726 -8.074) 13.961 22.952 ( -7.320 8.726 -8.074) 13.961 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.660 ( 8.278 -5.540 1.261) 10.040 2.660 ( 8.278 5.540 1.261) 10.040 2.748 ( 7.227 -7.760 5.580) 11.983 2.748 ( 7.227 7.760 5.580) 11.983 3.001 ( -4.169 -11.423 -0.127) 12.160 3.001 ( -4.169 11.423 -0.127) 12.160 3.427 ( -9.499 -4.840 -9.944) 14.579 3.427 ( -9.499 4.840 -9.944) 14.579 3.636 ( -0.347 -3.660 -3.365) 4.984 3.636 ( -0.347 3.660 -3.365) 4.984 4.340 ( -15.032 -5.680 9.321) 18.577 4.340 ( -15.032 5.680 9.321) 18.577 4.810 ( 5.802 -6.772 -9.185) 12.802 4.810 ( 5.802 6.772 -9.185) 12.802 5.103 ( 0.497 -4.801 -11.813) 12.761 5.103 ( 0.497 4.801 -11.813) 12.761 5.668 ( 4.193 -7.495 -8.384) 12.002 5.668 ( 4.193 7.495 -8.384) 12.002 5.962 ( -0.093 -9.264 -6.595) 11.373 5.962 ( -0.093 9.264 -6.595) 11.373 6.716 ( 8.749 -10.691 4.696) 14.591 6.716 ( 8.749 10.691 4.696) 14.591 6.973 ( 4.667 -8.528 3.160) 10.222 6.973 ( 4.667 8.528 3.160) 10.222 7.438 ( -1.049 -10.329 4.759) 11.421 7.438 ( -1.049 10.329 4.759) 11.421 7.829 ( -8.527 -6.014 2.801) 10.804 7.829 ( -8.527 6.014 2.801) 10.804 8.289 ( 8.339 -3.751 8.042) 12.177 8.289 ( 8.339 3.751 8.042) 12.177 8.581 ( -0.650 -6.539 11.732) 13.447 8.581 ( -0.650 6.539 11.732) 13.447 9.288 ( 19.143 -16.849 -7.348) 26.540 9.288 ( 19.143 16.849 -7.348) 26.540 9.886 ( -4.898 -10.593 4.984) 12.690 9.886 ( -4.898 10.593 4.984) 12.690 10.465 ( 7.616 -5.717 2.416) 9.825 10.465 ( 7.616 5.717 2.416) 9.825 10.921 ( 10.939 -14.561 2.420) 18.373 10.921 ( 10.939 14.561 2.420) 18.373 11.323 ( -10.298 -12.992 -13.077) 21.115 11.323 ( -10.298 12.992 -13.077) 21.115 11.898 ( -11.863 -11.468 -7.403) 18.085 11.898 ( -11.863 11.468 -7.403) 18.085 13.697 ( 0.120 -7.437 6.504) 9.880 13.697 ( 0.120 7.437 6.504) 9.880 13.743 ( -0.841 -5.370 9.237) 10.717 13.743 ( -0.841 5.370 9.237) 10.717 15.788 ( 7.913 -7.014 -12.338) 16.249 15.788 ( 7.913 7.014 -12.338) 16.249 16.471 ( -5.922 -12.791 -7.055) 15.762 16.471 ( -5.922 12.791 -7.055) 15.762 16.668 ( 4.451 -11.813 2.188) 12.812 16.668 ( 4.451 11.813 2.188) 12.812 17.056 ( -11.395 -10.040 -12.449) 19.637 17.056 ( -11.395 10.040 -12.449) 19.637 21.998 ( 13.139 -7.039 7.356) 16.622 21.998 ( 13.139 7.039 7.356) 16.622 22.776 ( -10.719 -8.882 -5.372) 14.921 22.776 ( -10.719 8.882 -5.372) 14.921 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.793 ( 5.454 -6.976 1.316) 8.953 2.793 ( 5.454 6.976 1.316) 8.953 2.890 ( -2.768 -6.250 -2.970) 7.453 2.890 ( -2.768 6.250 -2.970) 7.453 2.953 ( 9.604 -8.315 2.895) 13.029 2.953 ( 9.604 8.315 2.895) 13.029 3.198 ( -13.029 -5.286 -5.368) 15.051 3.198 ( -13.029 5.286 -5.368) 15.051 3.736 ( 10.375 -2.547 0.741) 10.709 3.736 ( 10.375 2.547 0.741) 10.709 4.013 ( -16.888 -3.718 5.429) 18.125 4.013 ( -16.888 3.718 5.429) 18.125 4.944 ( 6.966 -4.349 -11.766) 14.349 4.944 ( 6.966 4.349 -11.766) 14.349 5.060 ( -4.548 -4.376 -12.629) 14.118 5.060 ( -4.548 4.376 -12.629) 14.118 5.809 ( 8.129 -9.862 -9.651) 16.015 5.809 ( 8.129 9.862 -9.651) 16.015 5.930 ( -3.749 -11.029 -8.825) 14.614 5.930 ( -3.749 11.029 -8.825) 14.614 6.870 ( 7.469 -12.458 2.267) 14.701 6.870 ( 7.469 12.458 2.267) 14.701 6.991 ( -3.705 -10.665 0.769) 11.317 6.991 ( -3.705 10.665 0.769) 11.317 7.486 ( 6.406 -9.267 8.539) 14.136 7.486 ( 6.406 9.267 8.539) 14.136 7.650 ( -9.404 -7.415 7.090) 13.917 7.650 ( -9.404 7.415 7.090) 13.917 8.436 ( 6.470 -3.105 9.502) 11.907 8.436 ( 6.470 3.105 9.502) 11.907 8.537 ( -3.781 -5.682 11.215) 13.128 8.537 ( -3.781 5.682 11.215) 13.128 9.585 ( 11.543 -15.543 -3.229) 19.628 9.585 ( 11.543 15.543 -3.229) 19.628 9.764 ( -7.472 -12.694 2.482) 14.938 9.764 ( -7.472 12.694 2.482) 14.938 10.682 ( 13.791 -10.382 0.019) 17.262 10.682 ( 13.791 10.382 0.019) 17.262 10.951 ( -11.362 -14.858 -2.777) 18.909 10.951 ( -11.362 14.858 -2.777) 18.909 11.321 ( 13.192 -10.924 -7.586) 18.732 11.321 ( 13.192 10.924 -7.586) 18.732 11.625 ( -15.701 -11.277 -6.284) 20.327 11.625 ( -15.701 11.277 -6.284) 20.327 13.707 ( 0.890 -5.663 6.436) 8.619 13.707 ( 0.890 5.663 6.436) 8.619 13.727 ( -0.977 -5.110 7.332) 8.990 13.727 ( -0.977 5.110 7.332) 8.990 15.993 ( 12.887 -5.745 -18.281) 23.092 15.993 ( 12.887 5.745 -18.281) 23.092 16.264 ( -13.751 -6.216 -17.168) 22.857 16.264 ( -13.751 6.216 -17.168) 22.857 16.770 ( 5.439 -19.036 0.036) 19.798 16.770 ( 5.439 19.036 0.036) 19.798 16.883 ( -6.656 -18.590 -4.615) 20.277 16.883 ( -6.656 18.590 -4.615) 20.277 22.268 ( 14.249 -7.476 3.397) 16.446 22.268 ( 14.249 7.476 3.397) 16.446 22.540 ( -13.332 -8.384 -1.363) 15.808 22.540 ( -13.332 8.384 -1.363) 15.808 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.922 ( 0.000 0.000 26.531) 26.531 2.040 ( 0.000 0.000 25.710) 25.710 2.831 ( 0.000 0.000 2.189) 2.189 3.042 ( 0.000 0.000 0.811) 0.811 3.059 ( 0.000 0.000 -8.613) 8.613 3.288 ( 0.000 0.000 10.558) 10.558 3.404 ( 0.000 0.000 19.330) 19.330 3.462 ( 0.000 0.000 0.633) 0.633 3.699 ( 0.000 0.000 -8.943) 8.943 3.727 ( 0.000 0.000 -12.667) 12.667 4.078 ( 0.000 0.000 -16.910) 16.910 4.226 ( 0.000 0.000 -13.560) 13.560 4.375 ( 0.000 0.000 6.452) 6.452 4.928 ( 0.000 0.000 7.594) 7.594 5.009 ( 0.000 0.000 -8.143) 8.143 5.595 ( 0.000 0.000 8.852) 8.852 5.756 ( 0.000 0.000 -5.545) 5.545 5.850 ( 0.000 0.000 9.952) 9.952 6.100 ( 0.000 0.000 8.103) 8.103 6.266 ( 0.000 0.000 -3.035) 3.035 6.283 ( 0.000 0.000 -5.115) 5.115 6.401 ( 0.000 0.000 -3.522) 3.522 6.823 ( 0.000 0.000 4.494) 4.494 6.993 ( 0.000 0.000 -7.618) 7.618 7.116 ( 0.000 0.000 5.170) 5.170 7.305 ( 0.000 0.000 -9.875) 9.875 7.511 ( 0.000 0.000 -4.557) 4.557 7.684 ( 0.000 0.000 -16.766) 16.766 7.743 ( 0.000 0.000 9.814) 9.814 7.997 ( 0.000 0.000 21.687) 21.687 8.156 ( 0.000 0.000 0.338) 0.338 8.535 ( 0.000 0.000 16.625) 16.625 8.979 ( 0.000 0.000 -10.168) 10.168 9.681 ( 0.000 0.000 -6.006) 6.006 9.778 ( 0.000 0.000 5.314) 5.314 9.806 ( 0.000 0.000 3.399) 3.399 10.220 ( 0.000 0.000 -3.324) 3.324 10.236 ( 0.000 0.000 -7.529) 7.529 10.667 ( 0.000 0.000 5.637) 5.637 10.764 ( 0.000 0.000 22.104) 22.104 11.317 ( 0.000 0.000 -7.089) 7.089 11.588 ( 0.000 0.000 -1.399) 1.399 11.900 ( 0.000 0.000 -13.213) 13.213 12.312 ( 0.000 0.000 -18.659) 18.659 13.609 ( 0.000 0.000 12.369) 12.369 14.118 ( 0.000 0.000 -1.143) 1.143 14.186 ( 0.000 0.000 5.701) 5.701 14.198 ( 0.000 0.000 6.818) 6.818 15.237 ( 0.000 0.000 6.924) 6.924 15.453 ( 0.000 0.000 1.955) 1.955 15.962 ( 0.000 0.000 14.936) 14.936 16.207 ( 0.000 0.000 18.155) 18.155 16.621 ( 0.000 0.000 19.460) 19.460 17.199 ( 0.000 0.000 -17.589) 17.589 17.390 ( 0.000 0.000 -17.124) 17.124 17.493 ( 0.000 0.000 -6.579) 6.579 21.724 ( 0.000 0.000 13.785) 13.785 22.384 ( 0.000 0.000 15.122) 15.122 22.662 ( 0.000 0.000 -14.147) 14.147 23.391 ( 0.000 0.000 -12.890) 12.890 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.962 ( 3.866 0.000 23.627) 23.942 2.101 ( 4.972 0.000 23.433) 23.955 2.838 ( 0.289 0.000 -1.482) 1.510 3.037 ( -1.865 0.000 -5.945) 6.231 3.096 ( 3.383 0.000 -6.236) 7.094 3.326 ( 1.376 0.000 3.860) 4.098 3.398 ( 0.905 0.000 11.667) 11.702 3.525 ( 5.890 0.000 6.313) 8.633 3.718 ( 3.201 0.000 -3.138) 4.483 3.764 ( 4.505 0.000 -7.252) 8.538 4.029 ( -5.119 0.000 -13.656) 14.584 4.194 ( -14.619 0.000 5.546) 15.636 4.330 ( 8.789 0.000 -11.919) 14.810 4.885 ( -3.885 0.000 4.409) 5.876 4.945 ( -7.786 0.000 -12.924) 15.088 5.459 ( -6.014 0.000 3.235) 6.829 5.674 ( -11.637 0.000 13.044) 17.480 5.885 ( 0.864 0.000 3.910) 4.005 6.152 ( -3.497 0.000 -3.982) 5.299 6.172 ( 1.998 0.000 3.024) 3.624 6.265 ( -4.706 0.000 -6.921) 8.370 6.448 ( 5.188 0.000 -0.662) 5.230 6.815 ( 3.177 0.000 5.381) 6.249 7.028 ( -3.854 0.000 2.014) 4.349 7.135 ( 10.170 0.000 -1.792) 10.327 7.392 ( 2.287 0.000 -3.656) 4.312 7.435 ( -4.462 0.000 -5.093) 6.771 7.658 ( -0.923 0.000 -13.531) 13.562 7.917 ( 10.474 0.000 7.069) 12.636 8.077 ( 7.725 0.000 18.666) 20.202 8.286 ( 15.196 0.000 0.917) 15.224 8.556 ( 2.731 0.000 9.173) 9.571 8.967 ( -1.503 0.000 -9.694) 9.809 9.569 ( -12.345 0.000 -16.385) 20.515 9.804 ( 2.617 0.000 15.157) 15.382 9.878 ( 10.316 0.000 4.897) 11.419 10.253 ( 3.348 0.000 -1.047) 3.508 10.371 ( 10.412 0.000 -8.093) 13.188 10.674 ( 0.984 0.000 5.525) 5.612 10.758 ( -0.558 0.000 21.029) 21.037 11.305 ( -0.906 0.000 -6.059) 6.127 11.535 ( -5.130 0.000 -0.332) 5.140 11.902 ( -0.063 0.000 -14.182) 14.182 12.273 ( -4.167 0.000 -18.147) 18.619 13.576 ( -3.037 0.000 12.345) 12.713 14.053 ( -8.172 0.000 4.453) 9.307 14.129 ( -2.445 0.000 4.222) 4.879 14.201 ( -0.387 0.000 5.668) 5.682 15.234 ( -0.632 0.000 6.884) 6.913 15.408 ( -4.377 0.000 2.489) 5.035 15.858 ( -7.666 0.000 9.276) 12.034 16.124 ( -7.286 0.000 13.827) 15.629 16.769 ( 11.405 0.000 17.168) 20.611 16.982 ( -16.452 0.000 -16.416) 23.241 17.260 ( -12.880 0.000 -18.855) 22.835 17.610 ( 7.394 0.000 -6.098) 9.585 21.837 ( 9.845 0.000 10.873) 14.668 22.422 ( 3.842 0.000 14.662) 15.157 22.639 ( -2.402 0.000 -12.979) 13.199 23.375 ( -1.674 0.000 -12.182) 12.297 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.058 ( 5.480 0.000 15.494) 16.435 2.196 ( 4.822 0.000 17.449) 18.103 2.792 ( -6.766 0.000 -11.151) 13.043 3.025 ( 2.012 0.000 0.105) 2.015 3.080 ( -4.967 0.000 -11.019) 12.087 3.290 ( -4.271 0.000 -3.314) 5.406 3.425 ( -0.864 0.000 -2.603) 2.743 3.637 ( 3.437 0.000 6.012) 6.925 3.705 ( -15.910 0.000 1.044) 15.944 3.847 ( 0.229 0.000 -11.223) 11.225 3.996 ( 15.387 0.000 16.559) 22.605 4.060 ( 5.366 0.000 1.640) 5.611 4.551 ( 12.161 0.000 -10.062) 15.785 4.706 ( -13.786 0.000 -17.483) 22.265 4.813 ( -2.939 0.000 -3.475) 4.551 5.403 ( -0.788 0.000 2.990) 3.092 5.511 ( -4.590 0.000 13.483) 14.243 5.702 ( -13.394 0.000 2.848) 13.693 6.057 ( -9.130 0.000 -13.694) 16.458 6.133 ( -5.143 0.000 -3.093) 6.002 6.274 ( 4.442 0.000 7.940) 9.098 6.597 ( 9.834 0.000 0.776) 9.864 6.958 ( 10.070 0.000 11.097) 14.985 7.000 ( 0.121 0.000 0.667) 0.678 7.284 ( -8.854 0.000 2.945) 9.331 7.316 ( 7.820 0.000 3.486) 8.562 7.422 ( 0.988 0.000 -5.837) 5.920 7.659 ( -0.647 0.000 -16.482) 16.494 8.070 ( 6.298 0.000 7.147) 9.526 8.265 ( 10.582 0.000 12.352) 16.265 8.649 ( 11.281 0.000 4.951) 12.320 8.716 ( 20.810 0.000 -2.758) 20.992 8.913 ( -3.848 0.000 -8.099) 8.967 9.276 ( -16.343 0.000 -15.771) 22.711 9.859 ( 2.244 0.000 15.131) 15.296 10.161 ( 16.985 0.000 3.661) 17.375 10.357 ( 8.214 0.000 4.534) 9.382 10.544 ( 5.935 0.000 -6.696) 8.948 10.714 ( 2.878 0.000 3.727) 4.709 10.742 ( -1.024 0.000 17.876) 17.906 11.308 ( 2.066 0.000 -3.657) 4.201 11.404 ( -7.936 0.000 2.212) 8.238 11.886 ( -1.767 0.000 -15.477) 15.578 12.146 ( -8.960 0.000 -16.497) 18.773 13.518 ( -2.032 0.000 11.871) 12.043 13.875 ( -8.348 0.000 9.623) 12.739 14.083 ( -2.569 0.000 2.222) 3.396 14.179 ( -2.006 0.000 4.253) 4.703 15.184 ( -4.871 0.000 4.396) 6.562 15.329 ( -2.191 0.000 0.730) 2.309 15.738 ( -4.382 0.000 1.918) 4.783 15.977 ( -6.724 0.000 3.910) 7.778 16.555 ( -22.400 0.000 -21.793) 31.252 16.922 ( -20.601 0.000 -22.181) 30.272 17.070 ( 14.485 0.000 16.924) 22.277 17.722 ( 3.800 0.000 -3.713) 5.312 22.032 ( 8.849 0.000 6.429) 10.937 22.529 ( 7.055 0.000 12.897) 14.700 22.568 ( -4.750 0.000 -10.291) 11.334 23.321 ( -3.984 0.000 -10.058) 10.819 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.152 ( 3.714 0.000 3.754) 5.280 2.313 ( 7.735 0.000 8.042) 11.158 2.579 ( -13.453 0.000 -11.762) 17.870 2.938 ( -9.222 0.000 -11.348) 14.623 3.102 ( 3.739 0.000 -3.056) 4.829 3.202 ( -4.063 0.000 -6.716) 7.850 3.356 ( -4.554 0.000 -2.581) 5.235 3.413 ( -9.295 0.000 4.710) 10.420 3.543 ( -9.384 0.000 -2.057) 9.607 3.969 ( 12.153 0.000 0.660) 12.171 4.030 ( -12.046 0.000 -12.297) 17.214 4.412 ( 17.277 0.000 21.900) 27.895 4.581 ( 4.395 0.000 -4.651) 6.399 4.771 ( 7.598 0.000 -7.863) 10.934 4.794 ( 3.807 0.000 -13.710) 14.229 5.381 ( -2.716 0.000 2.778) 3.885 5.483 ( -7.099 0.000 0.711) 7.135 5.493 ( 2.847 0.000 7.994) 8.486 5.883 ( -8.568 0.000 -17.948) 19.888 5.997 ( -8.476 0.000 -4.653) 9.669 6.338 ( 3.106 0.000 13.461) 13.814 6.766 ( 2.940 0.000 6.831) 7.436 6.987 ( 0.009 0.000 0.375) 0.375 7.163 ( 10.263 0.000 13.479) 16.941 7.167 ( -1.289 0.000 -2.427) 2.748 7.427 ( 3.230 0.000 7.544) 8.207 7.448 ( 1.434 0.000 -4.998) 5.200 7.614 ( -3.583 0.000 -13.603) 14.067 8.191 ( 6.605 0.000 -2.384) 7.022 8.459 ( 8.924 0.000 6.451) 11.012 8.827 ( -4.846 0.000 -5.760) 7.527 8.842 ( 1.858 0.000 -0.400) 1.901 8.926 ( -4.442 0.000 -9.003) 10.039 9.141 ( 11.241 0.000 3.556) 11.790 9.917 ( 5.569 0.000 9.722) 11.204 10.402 ( 7.858 0.000 9.018) 11.961 10.573 ( -3.877 0.000 -7.345) 8.305 10.631 ( 11.463 0.000 15.520) 19.294 10.753 ( 9.127 0.000 1.848) 9.312 10.772 ( 4.030 0.000 6.365) 7.534 11.235 ( -9.139 0.000 4.145) 10.035 11.409 ( 7.893 0.000 -3.356) 8.577 11.830 ( -4.051 0.000 -14.865) 15.407 11.919 ( -14.393 0.000 -13.656) 19.841 13.519 ( 2.225 0.000 9.999) 10.243 13.749 ( -4.758 0.000 9.375) 10.513 14.033 ( -2.301 0.000 1.732) 2.880 14.122 ( -3.711 0.000 2.734) 4.610 15.102 ( -1.850 0.000 -5.268) 5.583 15.307 ( -1.099 0.000 -2.109) 2.378 15.680 ( -1.766 0.000 -1.113) 2.088 15.891 ( -1.494 0.000 -6.508) 6.677 16.119 ( -21.019 0.000 -21.715) 30.222 16.506 ( -20.884 0.000 -23.695) 31.585 17.340 ( 12.845 0.000 12.300) 17.785 17.754 ( -0.512 0.000 -0.842) 0.986 22.167 ( 5.235 0.000 2.811) 5.943 22.461 ( -5.950 0.000 -7.265) 9.390 22.690 ( 9.172 0.000 9.287) 13.053 23.217 ( -6.701 0.000 -6.486) 9.326 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.212 ( 3.541 0.000 -6.926) 7.779 2.337 ( -9.913 0.000 -11.199) 14.956 2.501 ( 11.229 0.000 -1.744) 11.364 2.730 ( -11.707 0.000 -8.541) 14.491 3.106 ( -0.945 0.000 0.600) 1.119 3.127 ( -3.222 0.000 -4.083) 5.201 3.307 ( 0.439 0.000 -1.714) 1.769 3.379 ( -6.584 0.000 -2.309) 6.977 3.456 ( 11.022 0.000 -6.016) 12.557 3.730 ( -15.941 0.000 -14.180) 21.336 4.226 ( 13.190 0.000 4.667) 13.991 4.448 ( -8.429 0.000 10.339) 13.339 4.723 ( 7.456 0.000 -0.939) 7.515 4.823 ( -1.965 0.000 -2.835) 3.450 5.049 ( 15.308 0.000 -2.344) 15.486 5.264 ( -8.041 0.000 3.517) 8.777 5.491 ( 7.042 0.000 -9.148) 11.545 5.617 ( 9.148 0.000 0.785) 9.182 5.694 ( -11.235 0.000 -17.134) 20.489 5.813 ( -10.171 0.000 -3.362) 10.713 6.440 ( 7.871 0.000 13.754) 15.847 6.635 ( -11.146 0.000 12.672) 16.877 7.093 ( 6.789 0.000 -3.011) 7.427 7.170 ( -0.826 0.000 -3.261) 3.364 7.339 ( 7.308 0.000 13.184) 15.073 7.435 ( -2.377 0.000 10.951) 11.206 7.478 ( 2.059 0.000 -6.489) 6.808 7.538 ( -3.837 0.000 -9.890) 10.609 8.345 ( 9.706 0.000 -10.935) 14.621 8.582 ( -14.536 0.000 -15.820) 21.484 8.610 ( 6.720 0.000 1.479) 6.881 8.727 ( -5.426 0.000 -2.654) 6.040 9.099 ( 9.851 0.000 11.269) 14.968 9.233 ( -2.557 0.000 10.984) 11.278 10.120 ( 14.227 0.000 0.571) 14.238 10.399 ( -12.840 0.000 -4.598) 13.638 10.532 ( 5.817 0.000 14.178) 15.325 10.627 ( -3.781 0.000 17.347) 17.754 10.890 ( 7.643 0.000 7.280) 10.555 11.055 ( -9.083 0.000 5.930) 10.848 11.161 ( 23.324 0.000 -6.534) 24.222 11.578 ( 8.607 0.000 -7.403) 11.353 11.585 ( -19.715 0.000 -10.064) 22.135 11.727 ( -6.492 0.000 -11.836) 13.500 13.590 ( 4.404 0.000 8.350) 9.440 13.671 ( -3.764 0.000 8.415) 9.219 14.009 ( 0.267 0.000 1.429) 1.453 14.048 ( -3.408 0.000 1.682) 3.800 15.137 ( 5.113 0.000 -12.815) 13.797 15.253 ( -5.028 0.000 -9.560) 10.802 15.674 ( 1.784 0.000 -4.229) 4.590 15.791 ( -11.414 0.000 -13.455) 17.644 15.937 ( 6.485 0.000 -15.310) 16.626 16.148 ( -15.076 0.000 -21.391) 26.170 17.559 ( 9.378 0.000 7.140) 11.787 17.700 ( -5.043 0.000 2.686) 5.714 22.255 ( 4.332 0.000 -0.722) 4.392 22.348 ( -5.383 0.000 -4.137) 6.789 22.878 ( 9.852 0.000 4.096) 10.670 23.063 ( -8.932 0.000 -1.560) 9.067 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.048 ( 0.000 10.311 21.079) 23.465 2.135 ( 0.000 8.781 23.801) 25.369 2.821 ( 0.000 -0.903 3.691) 3.800 3.052 ( 0.000 -1.163 -14.840) 14.885 3.153 ( 0.000 7.534 -2.103) 7.822 3.167 ( 0.000 -8.877 5.972) 10.699 3.338 ( 0.000 -10.223 2.416) 10.505 3.338 ( 0.000 -5.436 14.219) 15.223 3.729 ( 0.000 -4.118 -3.845) 5.634 3.796 ( 0.000 7.945 -8.949) 11.967 3.918 ( 0.000 -3.728 -11.526) 12.114 4.239 ( 0.000 0.616 -12.426) 12.442 4.583 ( 0.000 12.705 2.593) 12.967 4.946 ( 0.000 2.865 8.357) 8.835 5.065 ( 0.000 3.675 -7.928) 8.738 5.680 ( 0.000 8.389 9.932) 13.001 5.685 ( 0.000 -6.017 -0.743) 6.062 5.772 ( 0.000 -7.186 6.378) 9.608 6.075 ( 0.000 -1.805 1.923) 2.637 6.097 ( 0.000 -7.241 0.956) 7.303 6.317 ( 0.000 0.535 -5.755) 5.780 6.439 ( 0.000 3.442 -2.489) 4.248 6.978 ( 0.000 -2.615 -9.653) 10.001 7.083 ( 0.000 6.852 6.771) 9.633 7.106 ( 0.000 7.063 0.425) 7.076 7.404 ( 0.000 7.940 -4.382) 9.069 7.531 ( 0.000 3.611 -2.950) 4.663 7.621 ( 0.000 -6.272 8.117) 10.258 7.697 ( 0.000 1.589 -18.414) 18.483 8.068 ( 0.000 -7.822 -2.070) 8.092 8.136 ( 0.000 8.409 19.557) 21.288 8.576 ( 0.000 4.457 18.193) 18.731 8.876 ( 0.000 -8.907 -8.273) 12.156 9.423 ( 0.000 -12.143 5.961) 13.527 9.818 ( 0.000 1.182 4.829) 4.971 10.127 ( 0.000 19.443 -6.455) 20.487 10.139 ( 0.000 -4.989 -6.279) 8.019 10.276 ( 0.000 1.802 -3.402) 3.850 10.621 ( 0.000 -4.078 5.106) 6.534 10.790 ( 0.000 2.197 21.574) 21.686 11.394 ( 0.000 6.123 -9.615) 11.399 11.601 ( 0.000 0.746 -1.806) 1.954 11.878 ( 0.000 -1.423 -11.204) 11.294 12.274 ( 0.000 -3.668 -16.188) 16.599 13.618 ( 0.000 1.254 12.064) 12.129 14.090 ( 0.000 -3.138 -1.016) 3.299 14.147 ( 0.000 -2.849 6.955) 7.516 14.156 ( 0.000 -3.155 8.522) 9.087 15.447 ( 0.000 19.050 5.829) 19.921 15.610 ( 0.000 12.240 4.200) 12.940 16.027 ( 0.000 6.539 10.861) 12.677 16.183 ( 0.000 -2.184 18.340) 18.469 16.619 ( 0.000 -0.315 17.847) 17.850 17.215 ( 0.000 1.430 -17.424) 17.482 17.378 ( 0.000 -1.257 -17.098) 17.144 17.406 ( 0.000 -8.277 -5.527) 9.953 21.673 ( 0.000 -3.725 14.951) 15.408 22.274 ( 0.000 -9.706 14.383) 17.352 22.673 ( 0.000 0.982 -14.223) 14.257 23.294 ( 0.000 -8.669 -13.270) 15.850 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.097 ( 4.834 10.305 18.557) 21.770 2.198 ( 5.162 9.179 21.231) 23.699 2.830 ( 0.935 -0.799 1.455) 1.905 2.997 ( -4.170 -0.877 -12.272) 12.991 3.157 ( -1.914 -5.468 -5.534) 8.011 3.204 ( 1.921 -3.336 0.954) 3.966 3.368 ( 5.214 -2.541 15.987) 17.007 3.440 ( 7.533 -6.476 2.207) 10.176 3.671 ( -1.638 -4.652 -2.089) 5.356 3.866 ( -1.208 -2.090 -8.513) 8.848 3.883 ( 2.035 5.172 -10.988) 12.313 4.338 ( 9.079 1.061 -11.018) 14.316 4.442 ( -11.445 14.701 2.859) 18.849 4.901 ( -4.370 2.415 6.643) 8.310 4.991 ( -7.875 2.459 -10.777) 13.573 5.455 ( -8.016 -0.287 3.384) 8.706 5.652 ( -8.810 -1.807 10.208) 13.605 5.902 ( -1.593 1.312 3.054) 3.686 6.020 ( -0.102 -6.453 -0.062) 6.454 6.127 ( 1.280 -4.594 -0.001) 4.769 6.267 ( -1.442 -0.302 -4.427) 4.666 6.484 ( 4.036 3.779 -1.292) 5.678 6.793 ( -7.119 -2.899 -0.511) 7.704 7.199 ( 8.663 14.652 -0.296) 17.024 7.220 ( 3.664 -0.984 4.648) 6.000 7.423 ( -5.119 2.018 -0.915) 5.578 7.451 ( 3.486 6.018 -5.723) 9.006 7.695 ( 1.353 4.442 -12.722) 13.543 7.830 ( 12.452 -3.956 2.228) 13.254 8.156 ( 8.332 -1.282 7.819) 11.498 8.284 ( 15.150 3.760 8.823) 17.930 8.563 ( -0.136 1.807 11.068) 11.215 8.859 ( -2.170 -8.546 -6.913) 11.204 9.488 ( 5.362 -8.207 1.210) 9.877 9.763 ( -5.538 1.689 6.904) 9.010 10.054 ( 1.769 7.324 -1.696) 7.723 10.272 ( 2.617 2.700 -2.581) 4.561 10.355 ( 9.920 0.873 -6.978) 12.160 10.628 ( 1.037 -4.231 5.091) 6.701 10.784 ( -0.628 2.261 21.012) 21.143 11.377 ( -1.645 5.418 -8.856) 10.511 11.551 ( -4.825 1.213 -0.759) 5.033 11.872 ( -0.931 -2.263 -11.706) 11.959 12.235 ( -3.993 -3.568 -16.034) 16.905 13.594 ( -2.109 2.052 11.696) 12.061 14.038 ( -7.112 -1.197 4.752) 8.637 14.094 ( -1.860 -3.360 4.408) 5.846 14.161 ( -0.465 -3.158 6.950) 7.648 15.432 ( -2.464 17.059 6.722) 18.500 15.557 ( -4.388 12.593 4.264) 14.001 15.950 ( -5.457 9.027 5.255) 11.785 16.098 ( -7.568 -2.391 14.273) 16.331 16.755 ( 10.612 -1.448 15.948) 19.211 16.990 ( -16.270 0.549 -15.888) 22.747 17.248 ( -12.811 -1.082 -18.852) 22.818 17.530 ( 7.009 -7.550 -5.792) 11.819 21.780 ( 9.472 -4.324 12.452) 16.231 22.315 ( 4.113 -9.409 13.980) 17.346 22.649 ( -2.459 0.919 -13.091) 13.352 23.278 ( -1.721 -8.728 -12.517) 15.356 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.215 ( 6.320 10.583 12.408) 17.490 2.299 ( 5.254 9.837 15.039) 18.723 2.845 ( -1.380 3.418 -7.097) 7.998 2.906 ( -3.988 -4.030 -6.594) 8.696 3.085 ( -4.740 -5.247 -6.962) 9.924 3.181 ( -3.475 -5.060 0.227) 6.143 3.392 ( -5.043 -6.393 4.064) 9.100 3.600 ( 7.530 -3.500 -0.227) 8.307 3.720 ( -5.269 -3.756 -2.370) 6.891 3.812 ( 11.005 -7.502 0.979) 13.355 3.909 ( -6.263 12.336 -7.347) 15.664 4.294 ( 2.001 10.129 1.545) 10.440 4.563 ( 8.593 0.250 -8.482) 12.076 4.769 ( -4.921 4.629 -10.113) 12.162 4.850 ( -4.295 5.015 0.933) 6.669 5.357 ( -2.761 -3.526 4.202) 6.141 5.495 ( -7.402 -0.993 9.684) 12.229 5.689 ( -12.206 -0.915 0.981) 12.279 6.003 ( -4.016 -5.605 -9.845) 12.020 6.033 ( -9.437 -6.448 -6.163) 12.985 6.372 ( 7.868 7.468 7.752) 13.333 6.599 ( 7.965 0.768 0.516) 8.018 6.795 ( 6.006 -3.857 3.746) 8.061 7.218 ( -3.485 0.198 4.906) 6.021 7.327 ( -2.820 1.842 2.341) 4.102 7.384 ( 8.470 13.369 1.471) 15.894 7.531 ( 4.071 9.217 -3.024) 10.520 7.696 ( -1.896 3.544 -14.133) 14.693 8.065 ( 11.174 0.852 4.896) 12.230 8.343 ( 9.363 6.141 12.475) 16.764 8.575 ( 8.515 -5.422 2.368) 10.369 8.691 ( 13.339 -2.664 -2.296) 13.795 8.813 ( 2.217 -5.737 -3.124) 6.899 9.463 ( -9.980 12.793 -12.757) 20.640 9.743 ( 4.729 -9.681 17.878) 20.874 10.193 ( 11.995 1.561 0.590) 12.110 10.321 ( 2.858 -2.152 1.908) 4.054 10.541 ( 8.269 -0.275 -4.744) 9.537 10.682 ( 4.601 -3.269 2.117) 6.028 10.765 ( -1.349 2.938 19.307) 19.576 11.339 ( -2.107 1.106 -6.268) 6.704 11.434 ( -6.250 3.370 0.939) 7.162 11.830 ( -3.708 -4.596 -11.976) 13.353 12.120 ( -7.774 -2.632 -15.620) 17.645 13.556 ( -1.245 3.569 10.711) 11.359 13.880 ( -7.583 0.636 9.122) 11.879 14.055 ( -2.347 -2.722 2.370) 4.305 14.139 ( -1.861 -3.424 5.257) 6.543 15.318 ( -7.620 10.407 4.243) 13.579 15.509 ( -0.674 17.021 1.332) 17.087 15.863 ( -3.698 11.651 1.559) 12.323 15.948 ( -6.379 -2.373 3.094) 7.476 16.576 ( -21.513 1.756 -20.979) 30.100 16.912 ( -20.383 -0.866 -22.066) 30.051 17.035 ( 13.051 -3.483 15.422) 20.501 17.631 ( 3.312 -8.668 -3.511) 9.922 21.975 ( 9.310 -4.479 8.130) 13.147 22.427 ( 7.083 -8.822 12.060) 16.536 22.578 ( -4.639 0.740 -10.152) 11.186 23.223 ( -4.018 -8.825 -10.312) 14.155 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.317 ( 4.226 10.964 4.841) 12.709 2.419 ( 6.953 9.895 6.136) 13.561 2.703 ( -10.450 10.459 -9.753) 17.712 2.852 ( -5.231 -5.196 -4.162) 8.467 3.000 ( -2.816 -5.108 -4.529) 7.385 3.127 ( -2.707 -4.333 -6.883) 8.572 3.293 ( -0.677 -6.779 4.021) 7.911 3.526 ( -8.213 0.576 -7.308) 11.009 3.691 ( -11.573 9.111 -7.632) 16.589 3.759 ( 3.376 -3.881 2.605) 5.766 4.055 ( 8.467 -6.833 3.668) 11.482 4.356 ( -1.424 3.070 -5.776) 6.694 4.583 ( 5.058 -7.047 -5.177) 10.102 4.789 ( -2.577 4.864 -1.067) 5.607 4.948 ( 13.562 10.643 -1.997) 17.355 5.322 ( -1.601 -5.442 3.450) 6.639 5.385 ( -1.768 -3.785 2.437) 4.836 5.511 ( -5.614 -0.910 0.833) 5.748 5.852 ( -8.368 -8.958 -7.037) 14.134 5.913 ( -4.884 1.203 -15.515) 16.310 6.485 ( 4.636 11.265 12.660) 17.569 6.759 ( 6.190 -1.761 3.858) 7.503 6.950 ( 8.316 -3.877 2.642) 9.548 7.105 ( -5.701 3.521 2.196) 7.051 7.326 ( 1.755 2.514 5.282) 6.108 7.505 ( 2.676 10.555 5.884) 12.377 7.597 ( 2.526 9.824 -1.211) 10.215 7.634 ( -3.163 2.871 -10.582) 11.411 8.252 ( 8.126 6.022 -1.270) 10.193 8.511 ( 8.711 5.925 6.672) 12.470 8.641 ( -4.503 -8.278 -7.513) 12.052 8.805 ( 10.558 -4.720 6.131) 13.090 9.088 ( 12.236 -2.598 2.600) 12.776 9.217 ( -13.463 16.053 -8.730) 22.698 9.856 ( 7.775 -6.170 9.087) 13.457 10.363 ( 1.380 -4.933 4.866) 7.066 10.460 ( 10.815 -4.759 0.054) 11.816 10.714 ( 0.289 0.675 11.416) 11.440 10.739 ( 9.907 3.309 3.925) 11.158 10.773 ( 4.703 -0.727 2.403) 5.331 11.258 ( -6.774 0.935 0.125) 6.840 11.393 ( 3.445 -0.963 -3.487) 4.996 11.718 ( -8.138 -7.843 -10.410) 15.365 11.935 ( -10.933 -0.700 -14.549) 18.212 13.562 ( 1.989 3.933 9.137) 10.144 13.764 ( -4.345 1.579 8.865) 9.998 14.008 ( -2.138 -2.311 2.079) 3.773 14.088 ( -3.307 -3.059 3.443) 5.670 15.211 ( -2.172 9.009 -5.566) 10.810 15.493 ( -1.794 16.814 -2.680) 17.120 15.794 ( -2.721 7.066 0.270) 7.577 15.884 ( -0.351 3.214 -7.494) 8.162 16.158 ( -19.825 3.505 -20.444) 28.693 16.499 ( -20.747 -0.439 -23.626) 31.445 17.281 ( 11.692 -5.817 11.211) 17.211 17.658 ( -0.564 -9.240 -0.843) 9.295 22.125 ( 6.296 -3.229 4.050) 8.153 22.463 ( -5.856 0.367 -7.038) 9.163 22.595 ( 8.861 -8.442 8.615) 14.967 23.118 ( -6.711 -8.873 -6.701) 12.987 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.390 ( 3.825 13.266 -4.357) 14.478 2.500 ( -7.284 12.526 -8.703) 16.902 2.570 ( 6.568 7.012 -0.067) 9.608 2.715 ( -7.554 -0.500 -3.627) 8.395 2.989 ( 1.383 -5.646 -1.697) 6.055 3.047 ( -4.258 -4.506 -3.215) 6.983 3.351 ( 2.561 -2.335 -3.088) 4.642 3.435 ( -4.975 -0.060 -3.714) 6.209 3.540 ( 3.960 8.505 -9.405) 13.284 3.718 ( -8.459 0.809 -7.270) 11.183 4.167 ( 6.270 -7.602 4.002) 10.636 4.295 ( -5.193 -9.783 5.608) 12.415 4.704 ( 4.506 -5.396 -5.783) 9.103 4.751 ( -1.311 1.248 -4.932) 5.253 5.138 ( 6.358 2.528 5.655) 8.877 5.249 ( -5.471 -2.180 4.520) 7.424 5.473 ( 7.265 -1.784 -8.367) 11.224 5.494 ( 2.593 -6.584 -2.369) 7.462 5.724 ( -3.167 -2.248 -8.599) 9.436 5.797 ( -7.227 5.990 -15.251) 17.908 6.593 ( 6.989 10.487 13.837) 18.716 6.744 ( -6.942 5.122 11.766) 14.590 7.074 ( 3.683 -0.546 -0.372) 3.742 7.086 ( 2.355 -3.438 -3.778) 5.625 7.373 ( 3.190 2.472 5.857) 7.113 7.460 ( -5.210 3.092 4.421) 7.500 7.622 ( 0.798 9.067 -1.426) 9.213 7.627 ( 0.569 8.554 -0.522) 8.588 8.397 ( 7.021 4.320 -5.878) 10.125 8.528 ( -6.350 -2.335 -6.855) 9.631 8.699 ( 10.401 8.844 -0.783) 13.675 8.907 ( -8.557 10.993 -6.515) 15.378 9.061 ( 5.315 -1.264 9.201) 10.701 9.173 ( -2.637 -5.136 10.571) 12.045 10.077 ( 13.731 -4.838 0.151) 14.559 10.309 ( -8.042 -7.428 -0.586) 10.964 10.572 ( 2.900 0.708 8.344) 8.862 10.635 ( -3.985 2.906 15.158) 15.940 10.896 ( 8.180 1.002 5.684) 10.011 11.021 ( 3.046 -2.747 1.221) 4.280 11.175 ( 8.344 1.384 -2.480) 8.814 11.475 ( -10.658 -8.427 -8.791) 16.184 11.539 ( 4.129 -4.195 -6.705) 8.922 11.719 ( -10.579 -1.864 -12.161) 16.226 13.624 ( 3.833 3.115 7.906) 9.322 13.695 ( -3.325 2.256 8.012) 8.963 13.986 ( 0.243 -2.117 1.896) 2.852 14.021 ( -3.072 -2.415 2.256) 4.512 15.252 ( 6.138 9.559 -13.959) 17.997 15.406 ( -7.540 13.024 -12.139) 19.334 15.777 ( 1.118 7.697 -3.140) 8.388 15.861 ( -8.555 6.425 -10.310) 14.858 15.940 ( 5.719 2.826 -14.764) 16.083 16.144 ( -14.845 0.389 -21.169) 25.858 17.480 ( 8.517 -7.696 6.445) 13.164 17.608 ( -4.604 -8.898 2.380) 10.298 22.235 ( 5.345 -1.451 -0.032) 5.538 22.344 ( -5.972 -0.076 -3.893) 7.129 22.780 ( 9.769 -8.740 3.801) 13.648 22.965 ( -8.902 -8.851 -1.798) 12.681 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.296 ( 0.000 12.756 14.430) 19.260 2.391 ( 0.000 14.952 19.745) 24.767 2.784 ( 0.000 -3.906 7.802) 8.725 2.967 ( 0.000 -8.326 5.246) 9.841 2.981 ( 0.000 -6.011 -15.643) 16.759 3.145 ( 0.000 -4.518 -2.447) 5.138 3.146 ( 0.000 -11.712 1.901) 11.865 3.240 ( 0.000 -3.895 -1.704) 4.251 3.707 ( 0.000 8.541 -5.305) 10.054 3.944 ( 0.000 4.556 -11.968) 12.806 3.956 ( 0.000 2.916 -11.969) 12.319 4.205 ( 0.000 -5.571 -11.202) 12.511 4.828 ( 0.000 10.418 7.093) 12.603 5.083 ( 0.000 -2.015 -0.649) 2.117 5.087 ( 0.000 9.998 6.624) 11.993 5.526 ( 0.000 -9.205 -0.645) 9.227 5.712 ( 0.000 4.819 5.994) 7.691 5.931 ( 0.000 12.922 11.416) 17.243 6.029 ( 0.000 -0.616 0.403) 0.736 6.035 ( 0.000 -0.776 0.105) 0.784 6.250 ( 0.000 -6.037 -4.350) 7.441 6.512 ( 0.000 1.835 3.930) 4.337 6.884 ( 0.000 -5.426 -10.182) 11.538 6.919 ( 0.000 -12.310 8.177) 14.779 7.376 ( 0.000 9.818 -5.211) 11.115 7.483 ( 0.000 1.309 -6.170) 6.307 7.560 ( 0.000 -0.726 -11.322) 11.346 7.744 ( 0.000 10.796 5.525) 12.128 7.823 ( 0.000 10.321 -2.568) 10.635 7.868 ( 0.000 -8.799 -8.522) 12.249 8.256 ( 0.000 3.182 11.730) 12.154 8.641 ( 0.000 -12.816 -3.762) 13.357 8.736 ( 0.000 10.152 21.146) 23.457 9.187 ( 0.000 -10.720 13.643) 17.351 9.855 ( 0.000 2.489 2.613) 3.609 10.029 ( 0.000 -5.266 -3.787) 6.486 10.321 ( 0.000 2.665 -2.986) 4.002 10.486 ( 0.000 3.453 -1.804) 3.895 10.541 ( 0.000 7.218 -2.020) 7.495 10.835 ( 0.000 1.183 16.585) 16.627 11.498 ( 0.000 2.443 -12.415) 12.653 11.592 ( 0.000 -2.009 -1.246) 2.364 11.891 ( 0.000 3.807 -6.765) 7.763 12.165 ( 0.000 -6.357 -11.728) 13.340 13.680 ( 0.000 4.774 9.917) 11.007 13.974 ( 0.000 -7.277 3.018) 7.878 14.098 ( 0.000 -1.916 9.355) 9.549 14.101 ( 0.000 -1.559 6.453) 6.639 15.843 ( 0.000 8.710 13.971) 16.464 15.955 ( 0.000 23.606 4.770) 24.083 16.134 ( 0.000 0.907 17.540) 17.563 16.236 ( 0.000 11.867 3.283) 12.313 16.598 ( 0.000 -1.853 12.942) 13.074 17.130 ( 0.000 -17.832 -2.909) 18.067 17.255 ( 0.000 2.241 -17.164) 17.310 17.347 ( 0.000 -1.841 -17.138) 17.237 21.633 ( 0.000 1.298 15.485) 15.539 22.016 ( 0.000 -13.669 13.912) 19.504 22.715 ( 0.000 3.562 -15.077) 15.492 23.065 ( 0.000 -11.870 -14.283) 18.572 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.316 ( 2.879 10.920 12.787) 17.060 2.470 ( 5.509 15.114 16.935) 23.358 2.790 ( 0.619 -4.332 5.781) 7.250 2.942 ( -0.976 -7.592 -4.585) 8.923 3.023 ( 1.234 -1.086 -8.929) 9.079 3.082 ( -1.993 -6.133 1.948) 6.736 3.267 ( 8.234 -11.155 1.250) 13.921 3.288 ( 3.482 -5.734 -2.611) 7.198 3.649 ( -3.272 4.370 -3.416) 6.440 3.828 ( -8.768 -1.324 -11.205) 14.289 4.044 ( 7.098 7.224 -13.086) 16.547 4.342 ( 10.421 -2.586 -11.069) 15.421 4.737 ( -8.133 12.443 5.998) 16.030 4.977 ( -8.653 -0.064 -1.172) 8.733 5.045 ( -3.918 8.323 7.583) 11.922 5.418 ( -8.027 -4.386 2.898) 9.595 5.664 ( -5.283 4.134 4.934) 8.328 5.906 ( -8.578 -1.497 -1.868) 8.906 5.936 ( -5.259 -1.813 -0.689) 5.605 6.077 ( -3.745 -2.731 -0.401) 4.652 6.261 ( 9.283 3.506 3.657) 10.575 6.540 ( 3.061 0.053 5.206) 6.039 6.761 ( -2.753 0.141 -5.478) 6.133 7.067 ( 5.448 -11.039 4.300) 13.039 7.395 ( -0.068 4.230 -2.604) 4.967 7.529 ( 4.392 8.647 -13.697) 16.783 7.567 ( 3.929 -0.347 1.942) 4.397 7.846 ( 2.041 10.359 -6.948) 12.639 7.896 ( 12.078 6.095 2.669) 13.789 8.029 ( 13.954 -3.657 -4.949) 15.251 8.344 ( 10.126 -0.766 8.161) 13.027 8.574 ( -3.665 -8.817 0.575) 9.566 8.774 ( 1.125 8.202 16.404) 18.375 9.274 ( 8.240 -11.361 14.727) 20.343 9.832 ( -2.672 4.237 1.764) 5.311 10.055 ( 3.011 -4.676 -3.534) 6.589 10.314 ( -0.475 2.117 -1.677) 2.742 10.511 ( 0.352 -6.228 3.275) 7.045 10.550 ( 3.212 13.578 -7.520) 15.850 10.835 ( 0.098 1.570 15.909) 15.986 11.453 ( -4.771 1.142 -9.867) 11.019 11.561 ( -2.954 -1.508 -2.284) 4.027 11.863 ( -2.952 3.104 -6.543) 7.821 12.130 ( -3.483 -6.120 -12.280) 14.155 13.673 ( -0.609 5.406 9.246) 10.728 13.970 ( -0.734 -6.641 1.863) 6.936 14.033 ( -4.914 -0.382 9.704) 10.884 14.097 ( -1.400 -2.735 7.459) 8.067 15.728 ( -9.642 9.328 12.374) 18.251 15.958 ( -1.791 13.434 5.623) 14.673 16.057 ( -5.345 9.651 10.754) 15.406 16.227 ( -0.685 15.105 2.026) 15.256 16.698 ( 8.036 -4.210 12.044) 15.078 16.966 ( -13.167 -5.344 -11.374) 18.202 17.217 ( -12.004 -1.695 -18.507) 22.124 17.319 ( 2.820 -10.286 -8.569) 13.681 21.721 ( 8.120 0.224 14.044) 16.224 22.066 ( 4.908 -13.107 13.585) 19.505 22.691 ( -2.484 3.611 -14.013) 14.682 23.047 ( -1.918 -12.018 -13.404) 18.105 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.402 ( 5.323 8.326 8.043) 12.741 2.560 ( 4.022 12.769 11.243) 17.483 2.802 ( 0.548 -4.078 1.543) 4.395 2.922 ( -2.711 -7.096 -0.269) 7.601 2.991 ( 0.096 4.676 -10.777) 11.748 3.081 ( -1.138 -3.316 1.454) 3.795 3.272 ( -4.874 -5.193 -3.167) 7.795 3.437 ( 5.877 -8.100 1.487) 10.117 3.624 ( -5.520 -6.590 -15.341) 17.586 3.690 ( 1.863 -3.963 3.056) 5.340 4.174 ( 4.315 10.313 -13.617) 17.619 4.498 ( 2.845 0.247 -7.477) 8.004 4.564 ( -8.540 9.704 0.681) 12.945 4.882 ( 1.176 6.363 -4.086) 7.653 4.975 ( -0.834 4.111 10.669) 11.464 5.259 ( -8.242 -6.105 6.403) 12.092 5.504 ( -9.359 2.328 2.835) 10.052 5.693 ( -11.187 0.020 -4.465) 12.045 5.829 ( -6.601 -6.157 -4.761) 10.205 5.951 ( -4.117 -3.490 -8.851) 10.367 6.506 ( 11.513 4.474 5.428) 13.492 6.653 ( 8.045 2.494 6.040) 10.364 6.766 ( 2.368 2.050 -3.517) 4.710 7.130 ( 1.587 -7.551 1.980) 7.966 7.380 ( -0.252 4.729 2.479) 5.346 7.633 ( 5.203 2.654 -5.388) 7.947 7.679 ( 5.650 6.279 2.429) 8.789 7.828 ( -3.302 10.844 -2.484) 11.605 8.162 ( 14.209 4.444 3.033) 15.193 8.353 ( 17.280 -0.475 -6.183) 18.359 8.504 ( 1.028 -8.392 3.141) 9.019 8.649 ( 11.979 -1.712 -2.635) 12.385 8.787 ( 3.566 9.335 16.493) 19.284 9.457 ( 9.169 -14.493 15.864) 23.362 9.745 ( -6.196 10.878 -3.098) 12.897 10.145 ( 5.329 -6.643 -2.222) 8.802 10.317 ( 1.748 2.347 1.070) 3.116 10.528 ( 3.053 -4.514 3.567) 6.513 10.654 ( 6.444 5.528 -6.241) 10.537 10.849 ( 1.697 3.348 12.985) 13.517 11.319 ( -8.240 -1.606 -5.173) 9.861 11.482 ( -5.181 -2.367 -3.910) 6.909 11.772 ( -6.483 2.017 -5.874) 8.978 12.033 ( -6.487 -5.537 -13.177) 15.696 13.663 ( -0.174 6.361 7.958) 10.189 13.904 ( -5.363 1.046 6.146) 8.224 13.968 ( -1.669 -4.807 5.357) 7.388 14.057 ( -2.450 -3.970 6.690) 8.156 15.534 ( -8.962 9.428 5.203) 14.010 15.847 ( -7.084 -4.492 4.474) 9.506 16.005 ( -1.615 25.665 0.791) 25.728 16.219 ( -0.140 19.279 -0.289) 19.281 16.611 ( -18.289 0.809 -17.814) 25.543 16.896 ( -13.215 -1.476 -14.735) 19.848 16.914 ( 3.018 -6.749 4.561) 8.687 17.359 ( 1.115 -16.778 -3.963) 17.276 21.903 ( 9.592 -0.878 10.680) 14.382 22.194 ( 7.878 -12.142 11.996) 18.799 22.619 ( -4.814 3.743 -11.304) 12.844 22.988 ( -4.194 -12.304 -10.952) 16.998 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.509 ( 5.594 7.275 2.301) 9.461 2.636 ( 3.553 9.146 5.626) 11.311 2.807 ( -1.121 2.207 -1.321) 2.806 2.855 ( -1.280 -4.195 -0.298) 4.396 3.002 ( -6.658 9.851 -2.563) 12.163 3.068 ( 3.430 -2.463 -8.950) 9.896 3.147 ( -3.275 -5.504 1.687) 6.622 3.421 ( -5.704 -6.260 -3.009) 8.987 3.552 ( 0.425 -6.999 -8.760) 11.221 3.792 ( 4.560 -12.793 3.028) 13.915 4.106 ( -10.571 13.752 -9.452) 19.754 4.389 ( -11.489 -2.060 -8.922) 14.691 4.555 ( 6.034 6.589 -0.124) 8.935 4.869 ( -2.791 4.694 -1.096) 5.570 5.080 ( 4.401 -0.492 5.158) 6.799 5.121 ( -3.605 -12.637 3.975) 13.729 5.412 ( 1.222 4.694 -0.433) 4.870 5.522 ( -3.894 2.688 -6.271) 7.856 5.725 ( -3.530 -1.292 -6.977) 7.925 5.915 ( -1.016 -2.389 -12.492) 12.759 6.670 ( 5.813 3.103 5.489) 8.576 6.785 ( 4.025 7.842 3.297) 9.411 6.858 ( 6.914 -4.835 -2.025) 8.676 7.131 ( -1.431 -3.345 -1.631) 3.987 7.411 ( 3.546 7.153 8.666) 11.782 7.684 ( -2.191 1.262 2.233) 3.374 7.741 ( 1.529 9.053 2.588) 9.539 7.787 ( 0.757 8.024 1.666) 8.230 8.414 ( 10.123 5.254 2.972) 11.786 8.491 ( 1.127 -3.695 -0.211) 3.869 8.672 ( 8.037 -5.730 4.371) 10.794 8.767 ( 10.483 16.184 -0.558) 19.291 8.979 ( 7.878 -5.516 9.106) 13.244 9.562 ( -7.119 9.277 -0.735) 11.717 9.654 ( 6.876 -7.345 0.395) 10.069 10.187 ( -1.840 -10.935 0.137) 11.090 10.432 ( 9.073 1.836 2.801) 9.671 10.653 ( 9.392 -5.297 4.308) 11.611 10.793 ( 8.312 4.710 -1.234) 9.634 10.886 ( -0.123 8.228 7.915) 11.418 11.194 ( -1.524 -6.516 -4.889) 8.288 11.360 ( -7.232 -5.872 -3.983) 10.131 11.611 ( -9.949 1.351 -4.810) 11.133 11.870 ( -10.370 -5.242 -12.687) 17.204 13.673 ( 1.304 6.211 7.016) 9.461 13.816 ( -3.381 3.191 7.215) 8.583 13.936 ( -1.498 -4.427 3.469) 5.821 14.005 ( -2.806 -4.444 4.996) 7.252 15.419 ( -2.120 9.768 -5.214) 11.274 15.750 ( -2.148 -5.232 -4.625) 7.306 15.929 ( -7.818 19.994 -8.200) 22.981 16.197 ( -6.683 12.663 -7.830) 16.319 16.274 ( -9.654 13.014 -10.632) 19.381 16.533 ( -16.620 6.723 -19.344) 26.375 17.084 ( 8.313 -13.173 7.940) 17.483 17.361 ( -0.950 -18.949 -1.209) 19.011 22.077 ( 8.156 -0.197 6.280) 10.296 22.362 ( 9.104 -11.575 8.414) 16.961 22.507 ( -6.439 3.548 -7.689) 10.638 22.881 ( -6.735 -12.458 -7.200) 15.887 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.618 ( 5.405 7.028 -2.104) 9.112 2.683 ( 0.246 7.120 1.824) 7.354 2.765 ( -0.700 5.577 -3.759) 6.762 2.837 ( -7.338 12.322 -1.404) 14.410 2.906 ( 4.429 -1.901 -0.368) 4.833 3.007 ( -5.173 0.455 -3.530) 6.279 3.242 ( 5.917 -7.467 -0.572) 9.544 3.336 ( -3.783 -7.311 -0.771) 8.268 3.609 ( 7.672 -0.557 -10.973) 13.401 3.829 ( -9.517 5.929 -4.179) 11.966 3.918 ( 3.111 -11.979 -1.884) 12.519 4.121 ( -14.088 -7.319 -2.717) 16.106 4.689 ( 6.545 3.871 -4.009) 8.596 4.796 ( -4.513 4.018 -3.807) 7.141 5.075 ( 0.755 -8.633 3.595) 9.382 5.110 ( -1.921 -9.434 2.049) 9.843 5.464 ( 3.627 5.380 -3.221) 7.244 5.529 ( -1.223 7.856 -4.766) 9.270 5.741 ( 6.398 0.080 -11.063) 12.780 5.868 ( -4.595 -0.983 -13.010) 13.833 6.759 ( 3.752 4.339 6.218) 8.460 6.812 ( -1.133 5.313 4.220) 6.879 6.987 ( 5.904 -5.194 -3.580) 8.640 7.081 ( -3.664 -2.999 -3.392) 5.825 7.500 ( 5.016 9.476 10.036) 14.685 7.598 ( -5.052 9.595 7.549) 13.213 7.774 ( 1.431 3.316 4.156) 5.507 7.794 ( -0.472 5.494 2.943) 6.251 8.507 ( 1.376 1.541 1.262) 2.420 8.519 ( 0.615 7.226 3.728) 8.154 8.820 ( 9.008 -7.004 10.415) 15.449 8.955 ( -1.511 -5.015 4.248) 6.744 9.082 ( 11.094 12.340 0.777) 16.612 9.339 ( -13.201 18.750 -8.090) 24.316 9.877 ( 12.603 -14.501 -2.189) 19.336 10.087 ( -8.251 -13.792 -1.248) 16.120 10.598 ( 7.810 3.692 6.584) 10.861 10.747 ( -6.223 6.494 7.671) 11.821 10.901 ( 9.101 -4.278 4.997) 11.229 10.982 ( 7.211 2.721 -2.090) 7.986 11.206 ( -2.721 -2.651 -0.599) 3.845 11.296 ( 0.226 -4.658 -9.548) 10.627 11.431 ( -1.460 -4.204 -4.447) 6.291 11.633 ( -13.445 -6.065 -10.781) 18.269 13.713 ( 2.574 5.046 6.589) 8.689 13.763 ( -2.470 4.065 6.820) 8.315 13.922 ( 0.356 -3.906 3.130) 5.018 13.952 ( -2.449 -4.016 3.638) 5.946 15.469 ( 7.353 9.934 -14.679) 19.189 15.686 ( -13.526 11.171 -18.685) 25.630 15.788 ( 5.245 -4.252 -11.910) 13.691 15.964 ( -11.716 -0.777 -14.557) 18.703 16.254 ( 1.359 23.655 -3.145) 23.902 16.314 ( -5.889 19.671 -8.618) 22.269 17.226 ( 6.083 -16.622 4.359) 18.229 17.319 ( -3.446 -18.672 1.352) 19.036 22.227 ( 7.392 1.550 1.346) 7.672 22.369 ( -7.187 3.084 -3.336) 8.502 22.549 ( 9.490 -12.008 3.117) 15.620 22.729 ( -8.750 -12.343 -2.333) 15.309 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.575 ( 0.000 -12.513 9.781) 15.882 2.575 ( 0.000 12.513 9.781) 15.882 2.740 ( 0.000 -14.884 14.072) 20.483 2.740 ( 0.000 14.884 14.072) 20.483 2.939 ( 0.000 -3.623 0.291) 3.634 2.939 ( 0.000 3.623 0.291) 3.634 3.148 ( 0.000 -3.292 -13.496) 13.892 3.148 ( 0.000 3.292 -13.496) 13.892 3.972 ( 0.000 -8.797 -10.245) 13.504 3.972 ( 0.000 8.797 -10.245) 13.504 3.996 ( 0.000 -5.301 -13.033) 14.070 3.996 ( 0.000 5.301 -13.033) 14.070 5.006 ( 0.000 -5.882 7.254) 9.339 5.006 ( 0.000 5.882 7.254) 9.339 5.314 ( 0.000 -10.724 2.600) 11.035 5.314 ( 0.000 10.724 2.600) 11.035 5.898 ( 0.000 -9.175 -0.326) 9.181 5.898 ( 0.000 9.175 -0.326) 9.181 6.058 ( 0.000 -3.688 -0.817) 3.777 6.058 ( 0.000 3.688 -0.817) 3.777 6.364 ( 0.000 -15.784 17.108) 23.277 6.364 ( 0.000 15.784 17.108) 23.277 6.789 ( 0.000 -2.064 -7.238) 7.526 6.789 ( 0.000 2.064 -7.238) 7.526 7.504 ( 0.000 -0.028 -4.306) 4.306 7.504 ( 0.000 0.028 -4.306) 4.306 7.619 ( 0.000 -9.346 -15.149) 17.800 7.619 ( 0.000 9.346 -15.149) 17.800 7.952 ( 0.000 -2.199 4.883) 5.356 7.952 ( 0.000 2.199 4.883) 5.356 8.375 ( 0.000 -10.556 2.111) 10.765 8.375 ( 0.000 10.556 2.111) 10.765 8.962 ( 0.000 -10.767 19.121) 21.943 8.962 ( 0.000 10.767 19.121) 21.943 9.927 ( 0.000 -4.254 -0.362) 4.270 9.927 ( 0.000 4.254 -0.362) 4.270 10.395 ( 0.000 -4.462 -0.702) 4.517 10.395 ( 0.000 4.462 -0.702) 4.517 10.782 ( 0.000 -7.434 2.419) 7.817 10.782 ( 0.000 7.434 2.419) 7.817 11.534 ( 0.000 -2.433 -4.429) 5.053 11.534 ( 0.000 2.433 -4.429) 5.053 12.020 ( 0.000 -7.156 -8.279) 10.943 12.020 ( 0.000 7.156 -8.279) 10.943 13.813 ( 0.000 -7.459 6.504) 9.897 13.813 ( 0.000 7.459 6.504) 9.897 14.081 ( 0.000 -0.205 7.979) 7.981 14.081 ( 0.000 0.205 7.979) 7.981 15.990 ( 0.000 -5.576 17.367) 18.240 15.990 ( 0.000 5.576 17.367) 18.240 16.424 ( 0.000 -1.465 6.637) 6.797 16.424 ( 0.000 1.465 6.637) 6.797 16.681 ( 0.000 -20.772 1.077) 20.800 16.681 ( 0.000 20.772 1.077) 20.800 17.303 ( 0.000 -2.254 -17.134) 17.282 17.303 ( 0.000 2.254 -17.134) 17.282 21.754 ( 0.000 -9.957 14.408) 17.514 21.754 ( 0.000 9.957 14.408) 17.514 22.841 ( 0.000 -8.612 -15.208) 17.477 22.841 ( 0.000 8.612 -15.208) 17.477 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.574 ( 0.653 -12.714 7.859) 14.961 2.574 ( 0.653 12.714 7.859) 14.961 2.779 ( 1.835 -10.845 10.701) 15.346 2.779 ( 1.835 10.845 10.701) 15.346 3.002 ( 5.145 -4.396 3.491) 7.614 3.002 ( 5.145 4.396 3.491) 7.614 3.169 ( 3.067 -4.374 -14.093) 15.071 3.169 ( 3.067 4.374 -14.093) 15.071 3.761 ( -10.505 -4.972 -9.083) 14.751 3.761 ( -10.505 4.972 -9.083) 14.751 4.209 ( 10.698 -8.407 -13.089) 18.880 4.209 ( 10.698 8.407 -13.089) 18.880 4.929 ( -6.162 -5.216 6.478) 10.351 4.929 ( -6.162 5.216 6.478) 10.351 5.262 ( -5.394 -9.935 4.241) 12.074 5.262 ( -5.394 9.935 4.241) 12.074 5.799 ( -9.666 -7.207 -0.816) 12.084 5.799 ( -9.666 7.207 -0.816) 12.084 5.978 ( -6.826 -4.596 -2.651) 8.646 5.978 ( -6.826 4.596 -2.651) 8.646 6.434 ( 7.379 -9.429 11.279) 16.449 6.434 ( 7.379 9.429 11.279) 16.449 6.844 ( 4.319 -8.190 -2.722) 9.651 6.844 ( 4.319 8.190 -2.722) 9.651 7.492 ( 0.178 -4.855 -4.816) 6.841 7.492 ( 0.178 4.855 -4.816) 6.841 7.734 ( 9.214 -10.606 -9.229) 16.810 7.734 ( 9.214 10.606 -9.229) 16.810 8.092 ( 12.166 -4.587 1.046) 13.044 8.092 ( 12.166 4.587 1.046) 13.044 8.349 ( -0.446 -7.017 2.291) 7.395 8.349 ( -0.446 7.017 2.291) 7.395 9.021 ( 4.919 -12.508 19.786) 23.919 9.021 ( 4.919 12.508 19.786) 23.919 9.938 ( 1.158 -5.706 -1.004) 5.908 9.938 ( 1.158 5.706 -1.004) 5.908 10.389 ( -0.338 -4.947 0.254) 4.965 10.389 ( -0.338 4.947 0.254) 4.965 10.786 ( 0.623 -7.244 1.135) 7.359 10.786 ( 0.623 7.244 1.135) 7.359 11.489 ( -4.592 -3.492 -3.314) 6.653 11.489 ( -4.592 3.492 -3.314) 6.653 11.987 ( -3.245 -7.124 -8.690) 11.696 11.987 ( -3.245 7.124 -8.690) 11.696 13.813 ( -0.013 -7.542 5.843) 9.540 13.813 ( -0.013 7.542 5.843) 9.540 14.049 ( -3.012 -1.664 8.171) 8.866 14.049 ( -3.012 1.664 8.171) 8.866 15.889 ( -8.710 -6.455 13.692) 17.465 15.889 ( -8.710 6.455 13.692) 17.465 16.466 ( 2.889 -2.552 4.813) 6.166 16.466 ( 2.889 2.552 4.813) 6.166 16.674 ( -0.796 -15.048 0.821) 15.091 16.674 ( -0.796 15.048 0.821) 15.091 17.206 ( -9.182 -1.482 -16.961) 19.344 17.206 ( -9.182 1.482 -16.961) 19.344 21.820 ( 6.287 -9.008 13.820) 17.654 21.820 ( 6.287 9.008 13.820) 17.654 22.819 ( -2.245 -8.776 -14.197) 16.841 22.819 ( -2.245 8.776 -14.197) 16.841 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.603 ( 2.159 -10.393 4.463) 11.515 2.603 ( 2.159 10.393 4.463) 11.515 2.804 ( 1.507 -7.347 5.494) 9.297 2.804 ( 1.507 7.347 5.494) 9.297 3.043 ( -0.765 -5.624 0.101) 5.677 3.043 ( -0.765 5.624 0.101) 5.677 3.269 ( 4.393 -7.773 -8.117) 12.066 3.269 ( 4.393 7.773 -8.117) 12.066 3.594 ( -6.154 -3.752 -5.523) 9.080 3.594 ( -6.154 3.752 -5.523) 9.080 4.364 ( 3.929 -8.269 -14.033) 16.755 4.364 ( 3.929 8.269 -14.033) 16.755 4.847 ( -1.704 -10.539 5.490) 12.005 4.847 ( -1.704 10.539 5.490) 12.005 5.106 ( -9.180 -8.137 6.606) 13.933 5.106 ( -9.180 8.137 6.606) 13.933 5.593 ( -9.170 -5.990 -3.466) 11.489 5.593 ( -9.170 5.990 -3.466) 11.489 5.860 ( -4.316 -4.946 -6.273) 9.080 5.860 ( -4.316 4.946 -6.273) 9.080 6.600 ( 8.364 -4.800 4.109) 10.482 6.600 ( 8.364 4.800 4.109) 10.482 6.930 ( 4.227 -10.395 0.110) 11.222 6.930 ( 4.227 10.395 0.110) 11.222 7.519 ( 2.419 -7.572 1.408) 8.073 7.519 ( 2.419 7.572 1.408) 8.073 7.887 ( 4.326 -8.277 -3.588) 10.005 7.887 ( 4.326 8.277 -3.588) 10.005 8.260 ( 5.904 -11.645 4.200) 13.715 8.260 ( 5.904 11.645 4.200) 13.715 8.513 ( 15.655 -9.440 -4.408) 18.805 8.513 ( 15.655 9.440 -4.408) 18.805 9.114 ( 4.497 -17.340 18.589) 25.816 9.114 ( 4.497 17.340 18.589) 25.816 9.962 ( 0.538 -9.777 -1.947) 9.984 9.962 ( 0.538 9.777 -1.947) 9.984 10.406 ( 2.929 -5.625 2.197) 6.712 10.406 ( 2.929 5.625 2.197) 6.712 10.820 ( 3.338 -6.658 -1.681) 7.635 10.820 ( 3.338 6.658 -1.681) 7.635 11.359 ( -8.550 -5.986 -0.858) 10.472 11.359 ( -8.550 5.986 -0.858) 10.472 11.894 ( -6.412 -7.273 -9.253) 13.402 11.894 ( -6.412 7.273 -9.253) 13.402 13.810 ( -0.279 -7.187 4.682) 8.582 13.810 ( -0.279 7.187 4.682) 8.582 13.979 ( -3.781 -3.324 8.035) 9.482 13.979 ( -3.781 3.324 8.035) 9.482 15.713 ( -8.169 -7.569 5.332) 12.347 15.713 ( -8.169 7.569 5.332) 12.347 16.456 ( -6.693 -9.880 -6.317) 13.502 16.456 ( -6.693 9.880 -6.317) 13.502 16.665 ( 1.061 -12.720 2.279) 12.967 16.665 ( 1.061 12.720 2.279) 12.967 17.009 ( -8.947 -12.336 -12.115) 19.468 17.009 ( -8.947 12.336 -12.115) 19.468 21.973 ( 8.861 -7.591 11.692) 16.518 21.973 ( 8.861 7.591 11.692) 16.518 22.753 ( -4.540 -9.131 -11.498) 15.369 22.753 ( -4.540 9.131 -11.498) 15.369 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.656 ( 3.319 -6.835 -0.330) 7.605 2.656 ( 3.319 6.835 -0.330) 7.605 2.856 ( 3.669 -5.113 2.759) 6.871 2.856 ( 3.669 5.113 2.759) 6.871 3.003 ( -2.720 -6.904 0.099) 7.421 3.003 ( -2.720 6.904 0.099) 7.421 3.276 ( -3.480 -11.374 -4.157) 12.600 3.276 ( -3.480 11.374 -4.157) 12.600 3.539 ( 1.221 -8.525 -3.987) 9.490 3.539 ( 1.221 8.525 -3.987) 9.490 4.305 ( -11.420 -5.852 -12.567) 17.961 4.305 ( -11.420 5.852 -12.567) 17.961 4.805 ( -1.223 -14.780 6.141) 16.051 4.805 ( -1.223 14.780 6.141) 16.051 4.999 ( -2.705 -5.809 1.138) 6.508 4.999 ( -2.705 5.809 1.138) 6.508 5.518 ( 2.351 -4.209 -5.062) 6.990 5.518 ( 2.351 4.209 -5.062) 6.990 5.805 ( -2.051 -6.917 -8.360) 11.043 5.805 ( -2.051 6.917 -8.360) 11.043 6.742 ( 6.452 -4.930 0.572) 8.141 6.742 ( 6.452 4.930 0.572) 8.141 6.988 ( 1.062 -9.084 -2.077) 9.378 6.988 ( 1.062 9.084 -2.077) 9.378 7.587 ( 4.617 -8.083 8.263) 12.447 7.587 ( 4.617 8.083 8.263) 12.447 7.889 ( -2.965 -1.677 2.164) 4.035 7.889 ( -2.965 1.677 2.164) 4.035 8.423 ( 9.938 -3.842 5.941) 12.199 8.423 ( 9.938 3.842 5.941) 12.199 8.750 ( 5.735 -9.611 1.687) 11.319 8.750 ( 5.735 9.611 1.687) 11.319 9.241 ( 10.100 -20.740 5.640) 23.748 9.241 ( 10.100 20.740 5.640) 23.748 9.916 ( -5.792 -14.340 -2.775) 15.713 9.916 ( -5.792 14.340 -2.775) 15.713 10.525 ( 8.995 -6.105 3.638) 11.464 10.525 ( 8.995 6.105 3.638) 11.464 10.941 ( 9.549 -6.986 -4.691) 12.727 10.941 ( 9.549 6.986 -4.691) 12.727 11.168 ( -10.718 -8.655 2.083) 13.933 11.168 ( -10.718 8.655 2.083) 13.933 11.731 ( -10.499 -7.380 -8.870) 15.600 11.731 ( -10.499 7.380 -8.870) 15.600 13.806 ( 0.119 -5.899 4.336) 7.322 13.806 ( 0.119 5.899 4.336) 7.322 13.912 ( -2.964 -3.999 6.781) 8.412 13.912 ( -2.964 3.999 6.781) 8.412 15.607 ( -1.955 -8.012 -4.783) 9.534 15.607 ( -1.955 8.012 -4.783) 9.534 16.201 ( -17.059 -6.166 -18.041) 25.583 16.201 ( -17.059 6.166 -18.041) 25.583 16.717 ( 3.477 -20.233 2.559) 20.689 16.717 ( 3.477 20.233 2.559) 20.689 16.893 ( -3.560 -22.975 -4.172) 23.620 16.893 ( -3.560 22.975 -4.172) 23.620 22.150 ( 9.115 -7.326 7.704) 14.004 22.150 ( 9.115 7.326 7.704) 14.004 22.643 ( -6.737 -9.308 -7.649) 13.804 22.643 ( -6.737 9.308 -7.649) 13.804 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.739 ( 5.378 -4.864 -3.597) 8.094 2.739 ( 5.378 4.864 -3.597) 8.094 2.853 ( -5.201 -5.646 -1.697) 7.862 2.853 ( -5.201 5.646 -1.697) 7.862 3.028 ( 6.277 -6.059 3.089) 9.255 3.028 ( 6.277 6.059 3.089) 9.255 3.166 ( -6.976 -7.898 1.807) 10.692 3.166 ( -6.976 7.898 1.807) 10.692 3.668 ( 12.019 -7.773 -6.339) 15.654 3.668 ( 12.019 7.773 -6.339) 15.654 3.981 ( -18.652 -6.193 -8.703) 21.495 3.981 ( -18.652 6.193 -8.703) 21.495 4.844 ( 4.078 -9.637 1.250) 10.538 4.844 ( 4.078 9.637 1.250) 10.538 4.930 ( -4.310 -7.123 -0.983) 8.383 4.930 ( -4.310 7.123 -0.983) 8.383 5.633 ( 7.247 -7.233 -6.749) 12.263 5.633 ( 7.247 7.233 -6.749) 12.263 5.749 ( -4.276 -8.503 -8.297) 12.626 5.749 ( -4.276 8.503 -8.297) 12.626 6.862 ( 5.836 -6.083 -1.091) 8.500 6.862 ( 5.836 6.083 -1.091) 8.500 6.960 ( -3.732 -7.358 -2.657) 8.667 6.960 ( -3.732 7.358 -2.657) 8.667 7.694 ( 5.965 -6.410 9.600) 12.994 7.694 ( 5.965 6.410 9.600) 12.994 7.805 ( -5.230 -4.378 6.618) 9.503 7.805 ( -5.230 4.378 6.618) 9.503 8.609 ( 8.608 -7.737 7.900) 14.013 8.609 ( 8.608 7.737 7.900) 14.013 8.743 ( -4.682 -10.403 8.548) 14.256 8.743 ( -4.682 10.403 8.548) 14.256 9.491 ( 13.894 -20.376 -5.013) 25.167 9.491 ( 13.894 20.376 -5.013) 25.167 9.743 ( -11.456 -18.096 -5.011) 21.996 9.743 ( -11.456 18.096 -5.011) 21.996 10.726 ( 11.079 -7.344 4.219) 13.946 10.726 ( 11.079 7.344 4.219) 13.946 10.946 ( -11.352 -8.133 2.609) 14.207 10.946 ( -11.352 8.133 2.609) 14.207 11.191 ( 14.852 -6.223 -5.119) 16.897 11.191 ( 14.852 6.223 -5.119) 16.897 11.486 ( -14.439 -7.059 -7.464) 17.720 11.486 ( -14.439 7.059 -7.464) 17.720 13.822 ( 1.478 -4.574 4.659) 6.694 13.822 ( 1.478 4.574 4.659) 6.694 13.861 ( -2.393 -4.047 5.409) 7.167 13.861 ( -2.393 4.047 5.409) 7.167 15.655 ( 7.009 -7.613 -13.812) 17.259 15.655 ( 7.009 7.613 -13.812) 17.259 15.874 ( -14.980 -6.604 -19.134) 25.182 15.874 ( -14.980 6.604 -19.134) 25.182 16.783 ( 3.153 -22.917 1.032) 23.156 16.783 ( 3.153 22.917 1.032) 23.156 16.838 ( -2.570 -24.450 -0.794) 24.597 16.838 ( -2.570 24.450 -0.794) 24.597 22.326 ( 8.926 -8.073 2.463) 12.285 22.326 ( 8.926 8.073 2.463) 12.285 22.495 ( -8.283 -8.943 -2.909) 12.532 22.495 ( -8.283 8.943 -2.909) 12.532 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.400 ( 0.000 0.000 20.780) 20.780 2.501 ( 0.000 0.000 20.107) 20.107 2.748 ( 0.000 0.000 -13.003) 13.003 2.848 ( 0.000 0.000 -14.316) 14.316 3.011 ( 0.000 0.000 6.869) 6.869 3.230 ( 0.000 0.000 -12.584) 12.584 3.459 ( 0.000 0.000 3.545) 3.545 3.626 ( 0.000 0.000 -6.645) 6.645 3.708 ( 0.000 0.000 4.647) 4.647 3.728 ( 0.000 0.000 10.427) 10.427 3.778 ( 0.000 0.000 -5.093) 5.093 3.966 ( 0.000 0.000 -12.386) 12.386 4.568 ( 0.000 0.000 11.591) 11.591 4.808 ( 0.000 0.000 -11.514) 11.514 5.221 ( 0.000 0.000 18.187) 18.187 5.557 ( 0.000 0.000 -13.998) 13.998 5.876 ( 0.000 0.000 18.625) 18.625 6.056 ( 0.000 0.000 9.368) 9.368 6.176 ( 0.000 0.000 -1.357) 1.357 6.204 ( 0.000 0.000 -4.342) 4.342 6.216 ( 0.000 0.000 -1.550) 1.550 6.252 ( 0.000 0.000 -11.027) 11.027 6.866 ( 0.000 0.000 0.399) 0.399 6.883 ( 0.000 0.000 -2.693) 2.693 7.146 ( 0.000 0.000 -4.681) 4.681 7.150 ( 0.000 0.000 -3.151) 3.151 7.384 ( 0.000 0.000 -3.646) 3.646 7.425 ( 0.000 0.000 -4.134) 4.134 7.995 ( 0.000 0.000 9.862) 9.862 8.127 ( 0.000 0.000 -3.598) 3.598 8.401 ( 0.000 0.000 18.365) 18.365 8.732 ( 0.000 0.000 -14.373) 14.373 8.924 ( 0.000 0.000 20.976) 20.976 9.345 ( 0.000 0.000 -20.119) 20.119 9.897 ( 0.000 0.000 6.787) 6.787 9.965 ( 0.000 0.000 6.717) 6.717 10.058 ( 0.000 0.000 -9.070) 9.070 10.093 ( 0.000 0.000 -6.567) 6.567 10.874 ( 0.000 0.000 13.432) 13.432 11.136 ( 0.000 0.000 -11.344) 11.344 11.323 ( 0.000 0.000 29.150) 29.150 11.591 ( 0.000 0.000 1.911) 1.911 11.683 ( 0.000 0.000 -7.724) 7.724 11.873 ( 0.000 0.000 -24.897) 24.897 13.846 ( 0.000 0.000 10.749) 10.749 14.029 ( 0.000 0.000 -7.111) 7.111 14.280 ( 0.000 0.000 2.902) 2.902 14.290 ( 0.000 0.000 2.070) 2.070 15.358 ( 0.000 0.000 5.011) 5.011 15.437 ( 0.000 0.000 -2.732) 2.732 16.343 ( 0.000 0.000 21.458) 21.458 16.600 ( 0.000 0.000 20.452) 20.452 16.775 ( 0.000 0.000 -19.302) 19.302 17.012 ( 0.000 0.000 -20.066) 20.066 17.022 ( 0.000 0.000 14.934) 14.934 17.308 ( 0.000 0.000 -11.918) 11.918 22.027 ( 0.000 0.000 15.971) 15.971 22.354 ( 0.000 0.000 -16.140) 16.140 22.725 ( 0.000 0.000 18.140) 18.140 23.086 ( 0.000 0.000 -17.065) 17.065 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.393 ( -1.026 0.000 18.841) 18.869 2.531 ( 2.018 0.000 19.229) 19.334 2.707 ( -4.338 0.000 -11.948) 12.711 2.869 ( 0.984 0.000 -14.248) 14.282 3.019 ( 0.883 0.000 5.215) 5.290 3.203 ( -2.531 0.000 -11.367) 11.645 3.441 ( -1.459 0.000 3.703) 3.980 3.621 ( -0.621 0.000 -10.719) 10.737 3.729 ( 2.318 0.000 6.115) 6.540 3.831 ( 8.935 0.000 10.117) 13.497 3.833 ( 6.545 0.000 -3.099) 7.241 4.060 ( 8.164 0.000 -12.006) 14.518 4.407 ( -13.877 0.000 12.001) 18.346 4.673 ( -13.041 0.000 -13.836) 19.013 5.142 ( -6.811 0.000 17.299) 18.591 5.431 ( -7.044 0.000 -8.633) 11.142 5.933 ( -8.753 0.000 12.018) 14.868 5.980 ( -3.247 0.000 5.522) 6.406 6.066 ( -8.544 0.000 -3.604) 9.273 6.130 ( -5.252 0.000 -6.728) 8.536 6.229 ( 7.163 0.000 4.760) 8.600 6.392 ( 10.255 0.000 -6.625) 12.208 6.942 ( 9.919 0.000 6.916) 12.092 7.043 ( -4.560 0.000 0.981) 4.664 7.068 ( 12.814 0.000 -5.028) 13.765 7.172 ( -2.219 0.000 -13.363) 13.546 7.381 ( 1.380 0.000 0.652) 1.527 7.437 ( 0.083 0.000 -4.973) 4.974 8.157 ( 13.407 0.000 10.068) 16.767 8.279 ( 14.652 0.000 -2.511) 14.866 8.434 ( 3.102 0.000 16.490) 16.780 8.735 ( 0.088 0.000 -13.318) 13.318 8.822 ( -8.175 0.000 16.977) 18.843 9.201 ( -12.625 0.000 -19.477) 23.211 9.987 ( 9.119 0.000 6.113) 10.978 10.040 ( 6.157 0.000 9.025) 10.925 10.127 ( 6.982 0.000 -7.679) 10.379 10.206 ( 9.010 0.000 -8.068) 12.095 10.875 ( 0.332 0.000 13.193) 13.198 11.136 ( 0.187 0.000 -11.232) 11.234 11.302 ( -2.116 0.000 28.593) 28.671 11.559 ( -3.029 0.000 2.938) 4.219 11.669 ( -1.413 0.000 -8.456) 8.573 11.842 ( -3.160 0.000 -24.446) 24.650 13.811 ( -3.193 0.000 10.683) 11.150 13.992 ( -3.654 0.000 -6.880) 7.790 14.245 ( -3.148 0.000 4.287) 5.319 14.276 ( -1.590 0.000 1.219) 2.003 15.349 ( -1.034 0.000 4.505) 4.622 15.413 ( -2.613 0.000 -1.716) 3.126 16.145 ( -16.197 0.000 18.356) 24.481 16.459 ( -13.213 0.000 18.827) 23.001 16.551 ( -19.264 0.000 -20.874) 28.405 16.859 ( -14.788 0.000 -20.436) 25.225 17.158 ( 11.179 0.000 16.188) 19.673 17.437 ( 9.325 0.000 -11.241) 14.605 22.082 ( 4.872 0.000 13.303) 14.168 22.362 ( 0.551 0.000 -14.171) 14.182 22.748 ( 2.263 0.000 17.170) 17.319 23.088 ( 0.134 0.000 -16.043) 16.043 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.345 ( -4.275 0.000 12.691) 13.392 2.538 ( -1.591 0.000 16.236) 16.313 2.574 ( -9.370 0.000 -10.573) 14.128 2.837 ( -4.729 0.000 -13.285) 14.102 3.045 ( 1.529 0.000 2.585) 3.003 3.149 ( -2.579 0.000 -7.561) 7.989 3.410 ( -1.970 0.000 3.245) 3.796 3.571 ( -4.789 0.000 -11.677) 12.621 3.845 ( 10.098 0.000 10.723) 14.729 3.865 ( -13.561 0.000 11.555) 17.816 4.055 ( 15.964 0.000 -7.941) 17.830 4.060 ( -8.270 0.000 -4.490) 9.410 4.368 ( 10.592 0.000 -4.695) 11.586 4.433 ( -2.598 0.000 -8.968) 9.336 5.010 ( -5.951 0.000 18.371) 19.311 5.342 ( -2.635 0.000 -11.535) 11.832 5.761 ( -13.215 0.000 4.334) 13.908 5.781 ( -6.483 0.000 12.713) 14.271 5.862 ( -11.995 0.000 -5.860) 13.349 6.005 ( -6.947 0.000 -9.147) 11.486 6.458 ( 10.803 0.000 10.339) 14.954 6.605 ( 11.353 0.000 -1.997) 11.527 6.987 ( -1.384 0.000 0.146) 1.392 7.119 ( -2.664 0.000 -13.478) 13.739 7.174 ( 12.455 0.000 9.481) 15.653 7.313 ( 11.509 0.000 -3.819) 12.126 7.398 ( 0.146 0.000 1.313) 1.321 7.446 ( 0.628 0.000 -4.480) 4.524 8.334 ( 0.218 0.000 16.704) 16.705 8.509 ( 4.153 0.000 11.591) 12.312 8.618 ( 14.472 0.000 -8.568) 16.818 8.728 ( -0.852 0.000 -10.161) 10.197 8.764 ( 7.000 0.000 5.947) 9.186 8.949 ( -8.465 0.000 -14.069) 16.419 10.137 ( 2.632 0.000 11.961) 12.247 10.237 ( 15.684 0.000 3.979) 16.181 10.321 ( 12.710 0.000 -4.095) 13.353 10.355 ( 4.788 0.000 -10.241) 11.305 10.898 ( 2.163 0.000 12.501) 12.687 11.155 ( 1.907 0.000 -11.405) 11.564 11.241 ( -4.128 0.000 26.797) 27.113 11.488 ( -3.742 0.000 5.667) 6.791 11.633 ( -1.995 0.000 -9.369) 9.579 11.748 ( -6.590 0.000 -22.866) 23.796 13.742 ( -3.287 0.000 10.019) 10.545 13.901 ( -4.980 0.000 -5.066) 7.104 14.170 ( -4.265 0.000 4.992) 6.566 14.226 ( -3.584 0.000 -0.150) 3.588 15.286 ( -7.416 0.000 4.593) 8.723 15.337 ( -4.235 0.000 -0.582) 4.275 15.842 ( -12.629 0.000 9.525) 15.818 16.135 ( -21.530 0.000 -18.822) 28.597 16.154 ( -16.303 0.000 13.262) 21.016 16.492 ( -21.205 0.000 -19.772) 28.993 17.377 ( 10.490 0.000 13.334) 16.966 17.599 ( 6.799 0.000 -8.571) 10.940 22.176 ( 3.965 0.000 8.128) 9.044 22.360 ( -0.994 0.000 -10.015) 10.064 22.807 ( 3.585 0.000 14.245) 14.689 23.086 ( -0.501 0.000 -13.097) 13.107 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.223 ( -7.677 0.000 4.075) 8.691 2.353 ( -12.523 0.000 -9.352) 15.629 2.490 ( -2.430 0.000 9.673) 9.973 2.703 ( -8.116 0.000 -11.395) 13.990 3.063 ( -0.016 0.000 0.676) 0.676 3.112 ( -1.207 0.000 -3.456) 3.661 3.359 ( -2.974 0.000 2.824) 4.101 3.455 ( -6.273 0.000 -5.885) 8.601 3.557 ( -12.639 0.000 8.805) 15.404 3.768 ( -16.650 0.000 -12.307) 20.705 4.096 ( 14.632 0.000 11.958) 18.896 4.402 ( 17.248 0.000 -16.935) 24.172 4.550 ( 10.711 0.000 1.372) 10.799 4.626 ( 10.921 0.000 -5.890) 12.408 4.917 ( -3.253 0.000 20.816) 21.069 5.288 ( -3.960 0.000 -14.350) 14.887 5.548 ( -7.749 0.000 5.122) 9.289 5.643 ( -9.744 0.000 -5.482) 11.181 5.685 ( -3.188 0.000 9.943) 10.442 5.869 ( -6.944 0.000 -7.944) 10.552 6.599 ( 4.839 0.000 12.775) 13.661 6.825 ( 10.003 0.000 -6.021) 11.675 6.955 ( -2.767 0.000 2.574) 3.779 7.085 ( 0.018 0.000 -7.030) 7.030 7.396 ( 9.892 0.000 8.920) 13.320 7.403 ( 0.228 0.000 0.385) 0.448 7.436 ( -1.720 0.000 -3.697) 4.078 7.498 ( 7.180 0.000 -0.794) 7.224 8.247 ( -5.082 0.000 8.853) 10.208 8.527 ( -13.651 0.000 -17.494) 22.190 8.582 ( 3.236 0.000 5.908) 6.736 8.703 ( -1.549 0.000 -6.194) 6.385 9.032 ( 16.007 0.000 6.952) 17.452 9.139 ( 17.344 0.000 -3.174) 17.632 10.140 ( -1.370 0.000 11.551) 11.632 10.369 ( -3.142 0.000 -11.153) 11.587 10.537 ( 14.087 0.000 5.423) 15.095 10.632 ( 18.724 0.000 -4.174) 19.184 10.959 ( 3.916 0.000 11.132) 11.800 11.142 ( -6.000 0.000 23.557) 24.309 11.187 ( 0.057 0.000 -9.973) 9.973 11.441 ( -0.187 0.000 6.701) 6.704 11.583 ( -10.410 0.000 -19.630) 22.219 11.595 ( -2.025 0.000 -8.755) 8.986 13.703 ( -0.388 0.000 8.052) 8.061 13.819 ( -3.259 0.000 -2.321) 4.001 14.088 ( -3.921 0.000 3.687) 5.382 14.142 ( -4.734 0.000 -1.019) 4.842 15.089 ( -10.321 0.000 4.037) 11.083 15.220 ( -8.807 0.000 -6.882) 11.177 15.683 ( -4.487 0.000 1.749) 4.816 15.788 ( -12.435 0.000 -10.190) 16.077 15.877 ( -11.103 0.000 5.169) 12.248 16.095 ( -18.164 0.000 -16.209) 24.345 17.555 ( 7.624 0.000 8.920) 11.734 17.696 ( 3.115 0.000 -4.987) 5.880 22.226 ( 1.304 0.000 3.599) 3.828 22.323 ( -2.595 0.000 -6.073) 6.604 22.881 ( 3.905 0.000 9.518) 10.288 23.065 ( -1.727 0.000 -8.524) 8.697 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.098 ( -3.379 0.000 -2.859) 4.426 2.139 ( -7.686 0.000 -6.978) 10.381 2.475 ( 1.442 0.000 0.454) 1.512 2.554 ( -6.426 0.000 -7.325) 9.745 3.057 ( 0.139 0.000 -1.186) 1.194 3.082 ( -2.034 0.000 -2.628) 3.323 3.319 ( -0.469 0.000 1.871) 1.929 3.352 ( -3.827 0.000 -1.151) 3.996 3.435 ( -0.230 0.000 2.183) 2.195 3.518 ( -8.494 0.000 -6.619) 10.769 4.378 ( 13.339 0.000 10.166) 16.771 4.566 ( -3.402 0.000 -3.780) 5.086 4.723 ( 6.109 0.000 0.955) 6.183 4.763 ( 2.495 0.000 -2.826) 3.770 4.968 ( 9.917 0.000 2.879) 10.326 5.169 ( -8.453 0.000 -12.172) 14.819 5.461 ( -1.373 0.000 2.245) 2.631 5.497 ( -4.970 0.000 -2.309) 5.480 5.668 ( 1.609 0.000 3.572) 3.918 5.743 ( -5.613 0.000 -3.637) 6.689 6.695 ( 5.709 0.000 10.869) 12.278 6.822 ( -6.728 0.000 2.031) 7.028 7.026 ( 6.898 0.000 -0.529) 6.919 7.099 ( -0.332 0.000 -4.259) 4.272 7.391 ( -1.046 0.000 -2.212) 2.447 7.399 ( -1.482 0.000 -3.366) 3.678 7.544 ( 5.008 0.000 6.577) 8.266 7.582 ( 1.258 0.000 3.008) 3.260 8.201 ( 0.941 0.000 -1.840) 2.067 8.296 ( -8.821 0.000 -10.765) 13.918 8.634 ( 2.146 0.000 1.196) 2.457 8.671 ( -1.750 0.000 -2.555) 3.097 9.304 ( 10.412 0.000 8.022) 13.144 9.375 ( 4.538 0.000 1.900) 4.920 10.141 ( 2.972 0.000 2.915) 4.163 10.257 ( -7.364 0.000 -7.800) 10.727 10.788 ( 11.521 0.000 11.349) 16.172 10.950 ( 2.371 0.000 4.042) 4.686 11.045 ( 4.845 0.000 7.319) 8.777 11.052 ( 7.302 0.000 5.146) 8.933 11.139 ( -4.329 0.000 -0.212) 4.335 11.340 ( -14.487 0.000 -14.298) 20.354 11.482 ( 3.499 0.000 -0.740) 3.576 11.548 ( -2.929 0.000 -6.134) 6.797 13.724 ( 2.146 0.000 4.860) 5.313 13.769 ( -2.217 0.000 1.039) 2.448 14.035 ( -0.992 0.000 1.368) 1.690 14.059 ( -3.246 0.000 -0.587) 3.299 14.960 ( -1.717 0.000 -3.069) 3.516 15.031 ( -8.320 0.000 -9.378) 12.537 15.635 ( -0.820 0.000 -0.461) 0.941 15.651 ( -2.897 0.000 -2.507) 3.831 15.748 ( -1.648 0.000 -2.986) 3.411 15.822 ( -9.212 0.000 -10.271) 13.797 17.671 ( 4.276 0.000 4.025) 5.872 17.720 ( -0.639 0.000 -0.738) 0.976 22.243 ( 0.910 0.000 0.108) 0.916 22.273 ( -2.217 0.000 -2.886) 3.640 22.955 ( 3.615 0.000 3.559) 5.073 23.019 ( -2.882 0.000 -2.751) 3.985 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.419 ( 0.000 2.266 15.516) 15.681 2.561 ( 0.000 5.671 16.436) 17.387 2.721 ( 0.000 -2.050 -9.830) 10.041 2.929 ( 0.000 5.865 -14.588) 15.723 2.995 ( 0.000 -2.000 7.493) 7.756 3.147 ( 0.000 -5.995 -6.054) 8.520 3.397 ( 0.000 -5.847 3.608) 6.870 3.507 ( 0.000 -11.924 -4.189) 12.639 3.682 ( 0.000 0.218 -1.236) 1.255 3.691 ( 0.000 -0.537 -1.852) 1.928 3.814 ( 0.000 0.308 6.160) 6.168 4.004 ( 0.000 2.305 -10.927) 11.167 4.706 ( 0.000 11.137 8.393) 13.945 4.889 ( 0.000 6.644 -9.292) 11.423 5.226 ( 0.000 0.808 16.379) 16.399 5.524 ( 0.000 -2.912 -12.351) 12.690 5.957 ( 0.000 6.448 14.504) 15.873 5.969 ( 0.000 -7.725 9.395) 12.163 6.099 ( 0.000 -4.541 -0.043) 4.542 6.103 ( 0.000 -3.492 2.321) 4.193 6.200 ( 0.000 -0.950 -5.426) 5.508 6.334 ( 0.000 7.303 -9.212) 11.755 6.843 ( 0.000 -3.380 -2.354) 4.119 6.941 ( 0.000 3.250 -11.556) 12.004 7.236 ( 0.000 3.654 5.568) 6.660 7.324 ( 0.000 8.672 -3.682) 9.422 7.453 ( 0.000 9.337 -3.124) 9.846 7.469 ( 0.000 8.406 -2.897) 8.891 7.828 ( 0.000 -12.242 10.081) 15.859 7.992 ( 0.000 -11.649 -5.854) 13.037 8.453 ( 0.000 1.978 12.852) 13.003 8.685 ( 0.000 -4.359 -10.548) 11.413 8.989 ( 0.000 5.897 20.733) 21.555 9.342 ( 0.000 -0.658 -12.613) 12.630 9.919 ( 0.000 0.448 4.448) 4.470 10.015 ( 0.000 -2.264 -5.551) 5.995 10.071 ( 0.000 10.816 1.387) 10.905 10.155 ( 0.000 4.317 -6.112) 7.483 10.827 ( 0.000 -4.769 14.089) 14.874 11.109 ( 0.000 -4.184 -9.752) 10.612 11.336 ( 0.000 2.654 19.382) 19.563 11.572 ( 0.000 -0.876 -2.083) 2.260 11.726 ( 0.000 3.622 -2.775) 4.563 11.907 ( 0.000 2.179 -19.019) 19.144 13.846 ( 0.000 0.172 10.216) 10.218 14.015 ( 0.000 -1.278 -6.302) 6.430 14.252 ( 0.000 -2.407 3.173) 3.983 14.263 ( 0.000 -2.243 2.243) 3.172 15.547 ( 0.000 17.193 4.115) 17.678 15.613 ( 0.000 15.637 -2.305) 15.806 16.369 ( 0.000 2.401 20.610) 20.749 16.578 ( 0.000 -1.917 20.170) 20.261 16.789 ( 0.000 1.108 -16.989) 17.025 16.995 ( 0.000 -2.656 11.798) 12.093 16.998 ( 0.000 -1.302 -20.159) 20.201 17.246 ( 0.000 -6.124 -10.558) 12.206 21.998 ( 0.000 -2.082 17.018) 17.145 22.340 ( 0.000 -0.994 -16.159) 16.190 22.623 ( 0.000 -9.044 17.357) 19.572 22.983 ( 0.000 -9.252 -17.272) 19.594 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.427 ( 0.652 2.969 13.936) 14.264 2.581 ( 0.989 4.828 14.579) 15.390 2.696 ( -2.432 -0.838 -9.677) 10.013 2.867 ( -3.822 -0.196 -7.790) 8.679 3.064 ( 3.167 2.312 2.574) 4.690 3.169 ( 1.872 -1.949 -4.495) 5.245 3.411 ( 1.311 -4.158 0.732) 4.421 3.529 ( 0.280 -10.436 -10.406) 14.741 3.632 ( -1.186 -4.990 4.993) 7.158 3.737 ( 3.235 -2.617 -4.712) 6.286 3.864 ( 4.841 0.143 10.441) 11.509 4.106 ( 9.251 2.157 -12.108) 15.389 4.561 ( -12.504 12.389 8.339) 19.478 4.758 ( -12.093 7.010 -10.869) 17.706 5.178 ( -4.121 3.019 16.042) 16.836 5.435 ( -5.594 0.090 -7.443) 9.311 5.857 ( -7.306 -5.527 8.772) 12.684 5.930 ( -7.179 -3.786 -0.095) 8.116 6.000 ( -9.294 -4.185 0.744) 10.220 6.100 ( -7.464 -3.777 -6.104) 10.355 6.277 ( 12.732 5.209 8.253) 16.042 6.435 ( 8.412 4.810 -4.581) 10.718 6.815 ( 0.408 -5.042 4.003) 6.451 7.024 ( 6.992 1.236 -15.706) 17.236 7.288 ( 2.007 2.568 2.381) 4.036 7.325 ( -0.011 5.460 -2.006) 5.817 7.439 ( 1.917 12.590 0.813) 12.761 7.488 ( 2.805 9.728 -4.811) 11.209 8.001 ( 13.850 -10.333 9.487) 19.713 8.150 ( 14.052 -10.478 -4.543) 18.107 8.501 ( 5.305 1.570 9.158) 10.700 8.668 ( -1.633 -4.823 -7.211) 8.827 8.930 ( -5.133 9.235 18.453) 21.264 9.296 ( -4.949 6.551 -15.894) 17.889 9.947 ( 4.024 -2.578 7.677) 9.043 10.040 ( 4.648 -1.274 -1.214) 4.970 10.181 ( 7.019 5.427 -2.467) 9.209 10.227 ( 7.038 2.577 -5.449) 9.266 10.825 ( 0.033 -5.070 13.564) 14.480 11.102 ( -0.594 -4.755 -9.657) 10.780 11.317 ( -1.941 2.791 19.198) 19.497 11.546 ( -2.579 -0.393 -0.889) 2.756 11.707 ( -1.878 3.156 -3.698) 5.212 11.872 ( -3.558 1.803 -18.771) 19.191 13.816 ( -2.725 0.610 10.009) 10.391 13.983 ( -3.220 -0.838 -6.190) 7.027 14.219 ( -2.970 -2.222 4.358) 5.723 14.249 ( -1.636 -2.372 1.492) 3.245 15.537 ( -1.347 16.919 3.799) 17.392 15.587 ( -2.864 15.439 -1.016) 15.735 16.182 ( -14.947 3.520 16.976) 22.891 16.439 ( -13.119 -1.611 18.602) 22.819 16.572 ( -18.642 1.796 -19.637) 27.136 16.846 ( -14.673 -1.197 -20.513) 25.249 17.117 ( 10.188 -4.107 14.651) 18.312 17.370 ( 8.708 -6.458 -10.257) 14.925 22.053 ( 4.845 -2.177 14.503) 15.445 22.351 ( 0.761 -0.714 -14.582) 14.619 22.646 ( 2.241 -9.145 16.710) 19.180 22.985 ( 0.164 -9.226 -16.215) 18.657 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.432 ( -0.621 6.246 9.201) 11.139 2.572 ( -1.662 3.566 10.745) 11.443 2.627 ( -4.772 4.182 -8.992) 11.005 2.793 ( -3.962 -1.956 -8.544) 9.619 3.072 ( -1.652 0.067 6.087) 6.308 3.180 ( -1.375 3.522 -0.794) 3.864 3.405 ( -3.590 -1.837 -2.148) 4.569 3.482 ( -3.782 -8.284 -11.643) 14.781 3.672 ( 2.782 -11.145 6.488) 13.192 3.798 ( -0.689 -4.475 -5.444) 7.081 3.966 ( 6.785 -1.954 10.689) 12.810 4.240 ( -3.221 4.941 -14.442) 15.600 4.398 ( 3.113 6.727 4.910) 8.891 4.564 ( -1.805 9.768 -9.752) 13.921 5.108 ( -2.052 7.581 16.860) 18.599 5.370 ( -1.248 1.625 -6.457) 6.775 5.700 ( -12.404 -5.601 8.007) 15.791 5.711 ( -9.099 -4.237 4.016) 10.810 5.808 ( -10.184 -3.964 -6.252) 12.590 5.902 ( -10.698 -8.144 -8.141) 15.718 6.531 ( 11.487 5.048 7.478) 14.607 6.611 ( 9.391 1.080 -0.312) 9.458 6.888 ( 5.595 -3.978 6.409) 9.392 7.117 ( 0.390 -0.063 -14.953) 14.958 7.329 ( 3.283 3.442 1.216) 4.910 7.357 ( 4.767 2.440 -1.457) 5.550 7.515 ( 4.505 14.611 2.372) 15.472 7.567 ( 3.959 12.026 -2.570) 12.919 8.230 ( 7.345 -5.966 10.404) 14.064 8.428 ( 10.308 -10.067 -7.128) 16.075 8.629 ( 1.521 1.772 5.169) 5.672 8.687 ( 10.119 -2.724 -0.492) 10.491 8.866 ( 2.289 9.358 10.378) 14.160 9.160 ( -7.922 15.695 -16.317) 23.986 10.056 ( 4.455 -7.263 12.009) 14.725 10.190 ( 10.178 -4.253 -1.735) 11.167 10.313 ( 6.965 0.634 0.111) 6.995 10.391 ( 9.575 2.402 -7.452) 12.369 10.843 ( 2.185 -5.310 11.879) 13.194 11.096 ( 0.325 -6.195 -8.455) 10.487 11.260 ( -3.910 2.611 17.934) 18.540 11.480 ( -3.882 0.139 1.489) 4.160 11.655 ( -3.469 1.579 -5.061) 6.336 11.771 ( -6.652 1.173 -17.756) 18.997 13.758 ( -2.685 1.603 9.087) 9.610 13.903 ( -4.392 0.209 -4.648) 6.398 14.148 ( -4.119 -2.017 4.953) 6.750 14.198 ( -3.497 -2.426 0.243) 4.263 15.438 ( -10.204 12.793 6.212) 17.503 15.516 ( -4.219 16.088 -1.282) 16.681 15.921 ( -9.663 7.698 6.751) 14.079 16.134 ( -16.444 -1.175 13.026) 21.012 16.174 ( -20.149 3.338 -16.729) 26.400 16.481 ( -21.093 -0.830 -19.948) 29.043 17.316 ( 9.490 -6.010 12.175) 16.565 17.518 ( 6.093 -7.822 -7.830) 12.634 22.149 ( 4.258 -2.026 9.397) 10.514 22.354 ( -0.786 -0.292 -10.739) 10.772 22.705 ( 3.639 -9.138 14.069) 17.166 22.984 ( -0.468 -9.164 -13.202) 16.077 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.387 ( -3.859 11.966 3.021) 12.930 2.501 ( -7.876 12.005 -8.696) 16.786 2.541 ( -1.302 4.594 6.854) 8.354 2.700 ( -5.572 0.647 -8.632) 10.294 3.044 ( -0.533 -3.093 6.825) 7.512 3.131 ( -3.149 3.541 2.959) 5.587 3.315 ( -2.697 -5.471 -3.809) 7.192 3.382 ( -6.126 -5.354 -6.261) 10.266 3.581 ( -10.881 -0.634 2.074) 11.095 3.714 ( -7.119 -1.677 -7.194) 10.259 4.127 ( 7.209 -2.824 4.886) 9.155 4.237 ( 9.437 -7.278 -5.936) 13.314 4.528 ( 6.181 -0.044 1.550) 6.373 4.647 ( 3.766 3.988 -8.898) 10.453 5.127 ( 4.407 12.962 14.130) 19.674 5.352 ( -1.733 2.498 -5.064) 5.907 5.472 ( -8.229 -6.409 5.625) 11.851 5.577 ( -6.098 -6.279 3.681) 9.495 5.620 ( -7.132 -1.491 -7.697) 10.598 5.729 ( -7.196 -9.338 -7.349) 13.892 6.704 ( 6.961 5.977 9.023) 12.868 6.804 ( 9.785 -2.478 -0.142) 10.095 6.984 ( 3.811 -2.591 1.514) 4.851 7.064 ( -4.535 1.990 -5.930) 7.726 7.401 ( 3.510 3.948 2.578) 5.878 7.461 ( 3.251 5.420 -4.212) 7.595 7.593 ( 3.753 12.152 3.459) 13.180 7.628 ( 2.618 10.114 0.400) 10.455 8.288 ( 0.225 3.783 5.686) 6.833 8.458 ( -3.818 -3.111 -9.900) 11.057 8.668 ( 1.742 7.515 8.706) 11.632 8.842 ( 1.369 4.465 -6.218) 7.776 9.051 ( 8.457 4.877 1.836) 9.934 9.129 ( 12.207 0.702 -3.407) 12.693 10.079 ( -0.980 -6.461 11.751) 13.445 10.293 ( -1.290 -6.846 -8.885) 11.291 10.518 ( 13.533 -1.403 5.214) 14.571 10.630 ( 15.039 -0.080 -5.872) 16.145 10.909 ( 4.073 -4.069 10.201) 11.713 11.114 ( 0.765 -4.470 0.852) 4.615 11.171 ( -4.656 0.320 8.848) 10.004 11.411 ( -2.618 -1.489 1.932) 3.578 11.555 ( -7.775 -1.677 -6.470) 10.253 11.630 ( -6.928 1.007 -13.601) 15.297 13.729 ( -0.146 2.344 7.199) 7.572 13.831 ( -2.789 1.199 -2.029) 3.652 14.068 ( -3.738 -1.772 3.698) 5.549 14.118 ( -4.447 -2.141 -0.646) 4.977 15.205 ( -11.281 9.698 4.914) 15.667 15.370 ( -11.203 12.725 -9.323) 19.348 15.810 ( -3.144 10.200 -0.266) 10.677 15.856 ( -11.015 0.091 6.476) 12.777 15.869 ( -9.675 7.631 -7.460) 14.404 16.087 ( -17.930 0.002 -16.433) 24.321 17.476 ( 6.872 -7.648 8.112) 13.097 17.604 ( 2.751 -8.838 -4.545) 10.312 22.207 ( 1.867 -1.297 4.582) 5.115 22.320 ( -2.437 0.035 -6.603) 7.038 22.780 ( 3.887 -9.080 9.374) 13.617 22.963 ( -1.743 -9.143 -8.601) 12.673 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.315 ( -2.082 16.569 -1.863) 16.803 2.351 ( -5.855 16.721 -5.309) 18.495 2.541 ( 1.458 5.916 -0.494) 6.113 2.598 ( -4.318 4.071 -5.764) 8.273 3.052 ( 0.906 -1.376 5.664) 5.899 3.076 ( -1.943 1.146 3.740) 4.368 3.292 ( -1.305 -4.319 -3.542) 5.736 3.332 ( -0.776 0.450 -8.160) 8.209 3.409 ( -0.855 -2.735 2.442) 3.765 3.542 ( -9.317 1.433 -8.957) 13.004 4.301 ( 9.421 -10.372 7.999) 16.134 4.401 ( 2.685 -19.154 1.293) 19.384 4.590 ( 1.365 1.473 -2.917) 3.541 4.643 ( -2.601 0.007 -5.456) 6.044 5.237 ( 4.606 9.387 4.329) 11.316 5.299 ( -2.851 2.776 -0.716) 4.043 5.403 ( 1.137 -2.571 1.510) 3.191 5.473 ( -4.532 -0.127 -3.806) 5.920 5.560 ( 0.289 -4.615 -2.161) 5.104 5.614 ( -4.668 -6.840 -4.957) 9.651 6.829 ( 6.207 6.182 9.521) 12.938 6.935 ( -1.780 -1.600 6.726) 7.139 6.988 ( 1.873 2.980 -6.212) 7.140 7.030 ( 0.327 -3.833 -3.113) 4.949 7.442 ( 1.009 7.244 1.569) 7.480 7.466 ( -1.419 8.256 -1.203) 8.463 7.659 ( 2.301 8.089 2.714) 8.837 7.669 ( 1.169 7.256 1.910) 7.594 8.299 ( 1.787 8.930 -1.562) 9.240 8.365 ( -4.726 5.963 -7.412) 10.622 8.709 ( 2.691 7.086 1.894) 7.813 8.777 ( -4.283 9.496 -4.970) 11.542 9.256 ( 9.460 -4.114 8.173) 13.161 9.327 ( 3.765 -4.418 2.368) 6.269 10.085 ( 3.158 -6.124 2.497) 7.329 10.199 ( -6.945 -6.142 -7.641) 12.014 10.763 ( 11.043 -2.174 9.572) 14.774 10.911 ( 4.636 -5.266 2.674) 7.508 10.946 ( 3.899 -0.083 4.121) 5.674 11.089 ( -3.419 -1.165 3.021) 4.709 11.147 ( 4.801 0.677 2.188) 5.319 11.347 ( -11.960 -0.563 -7.675) 14.222 11.414 ( 2.772 -5.933 -1.336) 6.684 11.509 ( -5.893 -3.345 -7.915) 10.419 13.750 ( 1.974 2.342 4.485) 5.431 13.789 ( -1.869 1.887 1.118) 2.882 14.018 ( -0.923 -1.529 1.488) 2.324 14.041 ( -3.017 -1.662 -0.334) 3.461 15.068 ( -1.714 9.177 -2.976) 9.798 15.147 ( -9.220 9.724 -10.205) 16.844 15.717 ( -2.091 -2.419 -1.951) 3.746 15.755 ( -4.095 4.104 -3.377) 6.709 15.788 ( -0.214 14.044 -1.342) 14.110 15.832 ( -6.885 7.054 -8.313) 12.895 17.581 ( 3.863 -8.725 3.645) 10.214 17.625 ( -0.602 -9.140 -0.681) 9.185 22.235 ( 1.372 -0.384 0.592) 1.543 22.271 ( -2.324 0.111 -2.957) 3.762 22.853 ( 3.575 -9.148 3.425) 10.402 22.917 ( -2.898 -9.177 -2.856) 10.038 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.498 ( 0.000 4.784 6.101) 7.753 2.656 ( 0.000 -1.065 -11.614) 11.663 2.760 ( 0.000 9.751 15.861) 18.618 2.932 ( 0.000 -2.878 6.341) 6.964 2.982 ( 0.000 -2.265 -3.383) 4.072 3.069 ( 0.000 -1.092 -8.370) 8.441 3.243 ( 0.000 -7.549 7.137) 10.389 3.267 ( 0.000 -9.541 3.765) 10.257 3.674 ( 0.000 0.550 -4.177) 4.213 3.703 ( 0.000 1.410 -10.040) 10.138 3.796 ( 0.000 -1.712 2.918) 3.383 3.979 ( 0.000 -5.891 -11.172) 12.630 4.957 ( 0.000 11.180 5.245) 12.349 5.041 ( 0.000 6.825 -3.227) 7.549 5.271 ( 0.000 3.342 10.110) 10.648 5.448 ( 0.000 -4.174 -6.827) 8.002 5.860 ( 0.000 -1.090 7.531) 7.610 5.965 ( 0.000 -2.974 -2.702) 4.018 6.035 ( 0.000 -2.048 0.838) 2.213 6.093 ( 0.000 -3.087 -4.050) 5.093 6.346 ( 0.000 17.363 16.188) 23.739 6.521 ( 0.000 9.141 -1.626) 9.284 6.759 ( 0.000 -4.193 -0.280) 4.202 7.013 ( 0.000 5.220 -22.409) 23.009 7.158 ( 0.000 -11.652 12.126) 16.817 7.353 ( 0.000 -2.439 -7.365) 7.758 7.535 ( 0.000 -6.011 5.104) 7.886 7.686 ( 0.000 -11.813 -9.040) 14.875 7.804 ( 0.000 13.290 1.037) 13.330 7.811 ( 0.000 13.996 -0.046) 13.996 8.439 ( 0.000 -2.766 6.961) 7.491 8.554 ( 0.000 -7.723 -4.815) 9.101 9.133 ( 0.000 6.655 15.702) 17.054 9.311 ( 0.000 -2.215 -1.537) 2.696 9.923 ( 0.000 0.274 3.148) 3.160 9.972 ( 0.000 -1.900 -2.118) 2.846 10.277 ( 0.000 7.499 0.369) 7.508 10.361 ( 0.000 15.270 -7.234) 16.897 10.675 ( 0.000 -9.158 12.830) 15.763 10.945 ( 0.000 -10.698 -9.609) 14.380 11.434 ( 0.000 5.500 8.131) 9.816 11.565 ( 0.000 -0.321 -2.631) 2.651 11.813 ( 0.000 4.238 -0.133) 4.240 11.929 ( 0.000 -0.432 -10.767) 10.776 13.861 ( 0.000 1.443 7.697) 7.831 13.973 ( 0.000 -2.738 -3.042) 4.093 14.199 ( 0.000 -2.011 3.089) 3.686 14.212 ( 0.000 -2.252 2.205) 3.152 16.012 ( 0.000 19.593 2.492) 19.750 16.014 ( 0.000 24.507 1.494) 24.553 16.446 ( 0.000 5.200 17.192) 17.962 16.527 ( 0.000 -2.420 20.297) 20.440 16.791 ( 0.000 -2.781 -2.983) 4.078 16.923 ( 0.000 -2.682 -6.029) 6.599 16.954 ( 0.000 -3.819 -19.311) 19.684 17.044 ( 0.000 -12.216 -7.711) 14.446 21.982 ( 0.000 1.571 18.465) 18.532 22.299 ( 0.000 -6.324 1.317) 6.460 22.424 ( 0.000 -4.440 -1.290) 4.624 22.737 ( 0.000 -12.785 -17.842) 21.950 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.509 ( 1.273 4.663 6.307) 7.946 2.664 ( 0.730 -1.224 -11.185) 11.275 2.742 ( -1.966 8.629 10.120) 13.444 2.868 ( -3.826 0.815 -1.287) 4.118 3.063 ( 3.701 -0.703 5.429) 6.608 3.139 ( 5.064 -2.955 -0.206) 5.867 3.241 ( 1.094 -10.268 2.315) 10.583 3.299 ( 3.197 -9.553 -0.153) 10.075 3.581 ( -6.963 0.255 -1.815) 7.200 3.729 ( 0.771 0.399 -10.910) 10.945 3.839 ( 5.505 -0.930 6.492) 8.563 4.087 ( 8.313 -4.871 -13.779) 16.813 4.844 ( -9.770 12.863 4.686) 16.818 4.927 ( -9.618 8.035 -3.503) 13.013 5.254 ( -1.477 3.787 10.739) 11.483 5.414 ( -2.751 -2.565 -4.227) 5.659 5.780 ( -7.000 -1.060 5.600) 9.027 5.855 ( -9.796 -3.182 -2.555) 10.612 5.925 ( -10.401 -2.418 0.844) 10.711 6.000 ( -10.002 -5.023 -5.467) 12.456 6.447 ( 8.054 9.903 10.583) 16.582 6.586 ( 5.206 9.213 -2.845) 10.958 6.736 ( 1.592 -3.013 8.150) 8.834 7.059 ( 1.488 -1.206 -16.946) 17.054 7.242 ( 9.033 -1.497 1.707) 9.314 7.334 ( 0.648 -0.818 -4.544) 4.662 7.649 ( 8.431 -1.826 5.665) 10.320 7.763 ( 5.102 4.907 -4.557) 8.419 7.924 ( 11.573 6.211 0.450) 13.142 7.946 ( 13.268 1.722 -2.521) 13.614 8.463 ( 3.238 -4.374 4.340) 6.961 8.534 ( -1.171 -7.908 -2.912) 8.508 9.156 ( 1.403 10.561 17.290) 20.309 9.386 ( 6.438 0.984 -4.085) 7.688 9.909 ( -1.705 -0.604 4.802) 5.131 9.988 ( 2.230 -3.174 -3.275) 5.076 10.297 ( 2.007 6.062 1.429) 6.544 10.389 ( 2.917 12.013 -7.262) 14.337 10.667 ( -0.418 -9.356 12.073) 15.280 10.929 ( -1.430 -10.909 -9.987) 14.859 11.416 ( -1.970 5.540 9.182) 10.903 11.549 ( -1.733 -0.001 -1.659) 2.399 11.780 ( -3.350 3.459 -0.949) 4.908 11.885 ( -4.355 -0.776 -10.962) 11.820 13.843 ( -1.638 2.012 7.355) 7.800 13.954 ( -1.884 -2.020 -3.334) 4.330 14.169 ( -2.887 -1.988 3.996) 5.316 14.193 ( -2.003 -2.578 1.780) 3.718 15.947 ( -7.173 17.138 6.970) 19.843 16.004 ( -1.850 22.361 0.053) 22.438 16.288 ( -11.663 5.552 12.511) 17.983 16.425 ( -9.688 3.027 17.467) 20.202 16.611 ( -16.648 1.244 -17.166) 23.945 16.819 ( -13.417 -0.825 -20.241) 24.298 16.974 ( 7.089 -9.766 10.017) 15.683 17.160 ( 6.577 -13.321 -8.180) 16.959 22.033 ( 4.603 1.309 16.445) 17.128 22.334 ( 3.014 -4.022 -2.238) 5.501 22.427 ( 0.513 -6.407 2.900) 7.051 22.740 ( 0.213 -12.780 -16.681) 21.014 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.544 ( 1.937 4.817 5.817) 7.797 2.685 ( 1.207 1.082 -9.133) 9.275 2.695 ( -2.107 6.588 4.569) 8.289 2.809 ( -1.690 2.475 -6.129) 6.823 3.032 ( -4.170 -2.430 9.768) 10.895 3.226 ( -0.690 -4.319 7.850) 8.986 3.274 ( 2.133 -7.926 -7.011) 10.795 3.322 ( -3.108 -4.511 -5.389) 7.684 3.490 ( -0.767 -2.499 6.865) 7.346 3.750 ( 1.544 -2.520 -9.212) 9.675 3.943 ( 3.191 1.074 3.491) 4.850 4.209 ( 1.887 -5.550 -16.403) 17.419 4.666 ( -5.834 15.089 6.417) 17.404 4.791 ( -2.300 10.757 -5.539) 12.316 5.233 ( -0.241 2.409 11.725) 11.973 5.357 ( -3.679 -4.068 0.641) 5.522 5.597 ( -11.860 -2.628 5.621) 13.385 5.634 ( -10.747 -3.332 -0.037) 11.252 5.727 ( -8.028 -3.381 -4.955) 10.021 5.767 ( -10.893 -2.558 -8.464) 14.030 6.602 ( 7.710 2.669 4.472) 9.304 6.686 ( 5.119 4.348 -3.650) 7.644 6.832 ( 5.737 -1.287 10.750) 12.252 7.060 ( -0.743 -5.658 -9.451) 11.041 7.409 ( 6.635 5.293 0.994) 8.546 7.457 ( 11.360 7.653 -5.332) 14.699 7.784 ( 4.657 3.800 4.633) 7.589 7.832 ( 1.618 10.642 -0.118) 10.765 8.187 ( 13.714 3.956 1.017) 14.309 8.244 ( 14.480 -3.675 -4.546) 15.616 8.554 ( 5.118 -7.408 2.499) 9.345 8.601 ( 10.540 -5.755 -2.146) 12.199 9.158 ( -1.180 15.845 18.246) 24.195 9.476 ( 0.365 11.694 -12.125) 16.849 9.872 ( -1.355 -8.385 12.505) 15.117 10.061 ( 4.276 -7.842 -6.271) 10.914 10.361 ( 5.090 4.183 3.920) 7.666 10.477 ( 6.295 6.282 -7.031) 11.337 10.687 ( 3.178 -8.743 9.329) 13.174 10.910 ( 0.252 -10.779 -10.014) 14.715 11.349 ( -5.139 5.256 11.880) 13.970 11.495 ( -3.774 0.352 0.459) 3.818 11.683 ( -6.748 1.190 -2.515) 7.300 11.769 ( -7.198 -1.441 -11.782) 13.882 13.809 ( -1.473 3.129 6.373) 7.251 13.907 ( -2.582 -0.149 -3.013) 3.971 14.098 ( -4.108 -2.172 4.739) 6.637 14.136 ( -3.609 -3.093 1.019) 4.861 15.711 ( -15.530 11.040 11.449) 22.229 15.907 ( -9.570 14.195 -4.321) 17.656 16.050 ( -13.909 2.314 7.333) 15.893 16.233 ( -11.993 8.085 -4.176) 15.055 16.295 ( -9.413 13.919 -4.335) 17.353 16.501 ( -16.581 5.858 -17.154) 24.566 17.113 ( 6.542 -13.564 8.804) 17.445 17.261 ( 3.905 -16.615 -5.982) 18.086 22.129 ( 4.671 1.167 11.795) 12.740 22.373 ( 0.015 2.600 -11.469) 11.760 22.463 ( 3.502 -12.320 12.989) 18.241 22.740 ( -0.399 -12.745 -13.419) 18.511 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.572 ( 1.110 5.323 3.806) 6.637 2.658 ( -0.967 4.166 -2.369) 4.889 2.713 ( 0.250 7.323 -2.147) 7.635 2.803 ( -0.373 6.559 -8.647) 10.860 2.970 ( -0.734 -1.378 8.987) 9.121 3.138 ( -4.104 -5.935 0.910) 7.273 3.257 ( -2.840 -6.956 1.607) 7.683 3.276 ( -1.150 6.008 -2.671) 6.675 3.461 ( -3.998 -6.369 4.538) 8.782 3.753 ( -3.588 0.782 -16.410) 16.816 3.944 ( -1.175 -7.041 5.953) 9.295 4.151 ( -5.659 -5.767 -12.520) 14.901 4.649 ( 2.173 10.892 7.319) 13.302 4.792 ( -0.176 8.820 -6.066) 10.706 5.218 ( -3.839 -6.232 5.045) 8.889 5.244 ( -5.926 -11.094 4.193) 13.258 5.452 ( -0.132 5.194 4.887) 7.133 5.487 ( -3.783 -0.914 4.279) 5.784 5.596 ( -4.534 -0.405 -6.138) 7.641 5.661 ( -1.520 1.197 -12.306) 12.457 6.743 ( 6.431 -0.754 2.605) 6.979 6.786 ( 5.033 0.815 -1.664) 5.364 6.913 ( 2.681 -2.648 5.482) 6.652 7.039 ( -1.470 -4.407 -6.444) 7.944 7.555 ( 7.394 9.125 5.576) 13.001 7.645 ( 7.397 9.481 -3.624) 12.560 7.815 ( -0.874 7.628 3.891) 8.607 7.847 ( 0.295 7.534 1.134) 7.625 8.413 ( 8.612 5.424 -0.428) 10.187 8.443 ( 7.192 5.685 -3.345) 9.759 8.751 ( 12.849 -6.853 5.086) 15.425 8.816 ( 8.574 -1.143 -0.030) 8.650 9.151 ( 2.165 9.589 9.773) 13.861 9.382 ( -8.343 17.898 -12.158) 23.190 9.848 ( -1.552 -15.117 13.143) 20.092 10.087 ( -2.744 -12.777 -9.391) 16.093 10.520 ( 11.023 2.456 5.854) 12.720 10.650 ( 11.560 2.383 -6.364) 13.409 10.795 ( 7.468 -6.237 7.079) 12.033 10.969 ( 6.073 -8.543 -8.825) 13.702 11.217 ( -7.952 4.099 14.017) 16.628 11.400 ( -6.025 -0.653 2.352) 6.501 11.513 ( -10.492 -1.367 -4.217) 11.390 11.614 ( -8.795 -2.402 -11.491) 14.669 13.796 ( 0.210 3.775 5.082) 6.335 13.866 ( -1.487 1.782 -1.393) 2.707 14.020 ( -3.578 -2.441 3.897) 5.826 14.060 ( -3.994 -3.152 0.269) 5.095 15.426 ( -12.048 10.160 6.024) 16.872 15.640 ( -15.927 9.989 -13.283) 23.019 15.771 ( -12.087 -3.849 3.500) 13.159 15.951 ( -15.205 -2.435 -12.410) 19.777 16.232 ( -0.839 24.673 0.706) 24.697 16.284 ( -5.161 21.681 -5.574) 22.973 17.223 ( 4.717 -16.640 5.792) 18.240 17.315 ( 1.675 -18.693 -3.398) 19.073 22.203 ( 2.955 1.764 6.575) 7.422 22.348 ( -2.125 3.236 -7.737) 8.652 22.540 ( 3.881 -12.441 9.004) 15.840 22.720 ( -1.758 -12.723 -8.688) 15.507 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.604 ( 2.452 8.179 0.791) 8.575 2.659 ( -0.798 8.195 -4.499) 9.383 2.680 ( -0.787 7.566 0.242) 7.611 2.742 ( -4.734 8.765 -5.483) 11.371 3.034 ( 5.873 0.512 10.750) 12.260 3.111 ( -1.465 0.340 8.593) 8.724 3.222 ( 0.857 -2.254 -2.528) 3.494 3.322 ( -4.105 -2.831 -10.031) 11.202 3.346 ( 4.931 1.605 0.050) 5.186 3.577 ( -12.682 3.600 -15.350) 20.234 3.963 ( 2.808 -18.400 3.184) 18.884 4.042 ( -5.105 -15.257 -4.512) 16.709 4.697 ( 2.548 8.398 3.231) 9.352 4.753 ( -3.069 7.912 -1.724) 8.660 5.145 ( -1.411 -10.406 2.379) 10.767 5.162 ( -2.845 -10.646 1.054) 11.070 5.466 ( 0.862 2.567 2.792) 3.890 5.490 ( -0.438 4.569 1.040) 4.706 5.579 ( 3.614 3.567 -4.586) 6.842 5.642 ( -1.694 3.202 -8.969) 9.673 6.841 ( 3.459 -1.878 2.381) 4.600 6.862 ( 1.801 -1.322 0.499) 2.289 6.952 ( 2.045 -3.671 0.582) 4.243 7.001 ( -2.441 -3.577 -3.722) 5.710 7.672 ( 4.316 11.160 6.259) 13.504 7.720 ( -0.140 11.988 2.707) 12.290 7.809 ( 1.147 6.113 1.172) 6.330 7.837 ( -1.193 6.186 -0.010) 6.300 8.524 ( 3.802 9.396 1.000) 10.185 8.549 ( 2.168 13.632 -0.705) 13.821 8.907 ( 3.918 8.554 0.347) 9.415 8.946 ( 3.509 -0.963 -0.392) 3.660 9.220 ( 1.793 0.077 3.506) 3.938 9.240 ( -3.365 6.947 0.457) 7.732 9.849 ( 3.219 -16.192 1.864) 16.613 9.971 ( -7.766 -15.422 -8.327) 19.170 10.747 ( 11.190 1.863 7.760) 13.744 10.874 ( 5.102 1.859 -1.891) 5.751 10.939 ( 7.719 -2.091 4.787) 9.320 11.061 ( -2.867 -1.811 1.926) 3.900 11.139 ( 6.358 -0.735 0.546) 6.424 11.267 ( -7.708 -5.263 5.773) 10.975 11.314 ( -5.823 -2.700 -7.912) 10.188 11.422 ( -10.513 -4.653 -9.469) 14.894 13.816 ( 1.577 3.653 3.508) 5.304 13.844 ( -1.116 3.114 1.060) 3.474 13.973 ( -0.859 -2.704 1.947) 3.441 13.992 ( -2.602 -2.827 0.338) 3.857 15.286 ( -1.611 10.396 -2.695) 10.860 15.371 ( -10.001 10.344 -10.856) 18.024 15.632 ( -1.869 -5.497 -2.486) 6.316 15.702 ( -8.907 -5.045 -9.292) 13.825 16.227 ( 0.129 26.244 -0.206) 26.245 16.236 ( -0.932 26.133 -1.259) 26.180 17.295 ( 2.702 -18.577 2.550) 18.945 17.327 ( -0.514 -19.294 -0.564) 19.309 22.253 ( 2.351 2.754 1.617) 3.966 22.300 ( -2.548 3.335 -3.112) 5.225 22.611 ( 3.432 -12.613 3.083) 13.431 22.673 ( -2.902 -12.737 -3.059) 13.417 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.598 ( 0.000 -4.160 -4.144) 5.871 2.598 ( 0.000 4.160 -4.144) 5.871 2.916 ( 0.000 -2.753 0.839) 2.878 2.916 ( 0.000 2.753 0.839) 2.878 2.996 ( 0.000 -8.504 5.914) 10.359 2.996 ( 0.000 8.504 5.914) 10.359 3.136 ( 0.000 -0.366 8.676) 8.683 3.136 ( 0.000 0.366 8.676) 8.683 3.731 ( 0.000 -0.111 -10.916) 10.916 3.731 ( 0.000 0.111 -10.916) 10.916 3.806 ( 0.000 -7.009 -5.536) 8.932 3.806 ( 0.000 7.009 -5.536) 8.932 5.111 ( 0.000 -1.927 2.718) 3.332 5.111 ( 0.000 1.927 2.718) 3.332 5.351 ( 0.000 -4.438 1.015) 4.553 5.351 ( 0.000 4.438 1.015) 4.553 5.901 ( 0.000 -3.336 0.664) 3.402 5.901 ( 0.000 3.336 0.664) 3.402 6.025 ( 0.000 -1.715 -1.658) 2.385 6.025 ( 0.000 1.715 -1.658) 2.385 6.668 ( 0.000 -4.805 0.779) 4.868 6.668 ( 0.000 4.805 0.779) 4.868 6.777 ( 0.000 -21.254 17.160) 27.317 6.777 ( 0.000 21.254 17.160) 27.317 7.206 ( 0.000 -11.055 -19.839) 22.711 7.206 ( 0.000 11.055 -19.839) 22.711 7.499 ( 0.000 -2.834 -1.051) 3.022 7.499 ( 0.000 2.834 -1.051) 3.022 8.002 ( 0.000 -0.459 0.732) 0.864 8.002 ( 0.000 0.459 0.732) 0.864 8.411 ( 0.000 -3.155 1.093) 3.339 8.411 ( 0.000 3.155 1.093) 3.339 9.246 ( 0.000 -4.098 7.490) 8.538 9.246 ( 0.000 4.098 7.490) 8.538 9.938 ( 0.000 -1.193 0.815) 1.445 9.938 ( 0.000 1.193 0.815) 1.445 10.464 ( 0.000 -9.819 8.157) 12.765 10.464 ( 0.000 9.819 8.157) 12.765 10.680 ( 0.000 -14.094 -10.611) 17.642 10.680 ( 0.000 14.094 -10.611) 17.642 11.531 ( 0.000 -3.238 1.985) 3.798 11.531 ( 0.000 3.238 1.985) 3.798 11.891 ( 0.000 -2.951 -3.911) 4.899 11.891 ( 0.000 2.951 -3.911) 4.899 13.909 ( 0.000 -2.971 2.664) 3.990 13.909 ( 0.000 2.971 2.664) 3.990 14.182 ( 0.000 -0.396 2.307) 2.341 14.182 ( 0.000 0.396 2.307) 2.341 16.304 ( 0.000 -4.520 10.173) 11.132 16.304 ( 0.000 4.520 10.173) 11.132 16.586 ( 0.000 -1.075 12.023) 12.071 16.586 ( 0.000 1.075 12.023) 12.071 16.686 ( 0.000 -8.743 -0.215) 8.745 16.686 ( 0.000 8.743 -0.215) 8.745 16.929 ( 0.000 -2.088 -19.357) 19.469 16.929 ( 0.000 2.088 -19.357) 19.469 22.092 ( 0.000 -8.923 17.999) 20.089 22.092 ( 0.000 8.923 17.999) 20.089 22.500 ( 0.000 -8.639 -17.840) 19.821 22.500 ( 0.000 8.639 -17.840) 19.821 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.606 ( 1.200 -4.066 -2.903) 5.138 2.606 ( 1.200 4.066 -2.903) 5.138 2.890 ( -2.777 -1.830 1.419) 3.616 2.890 ( -2.777 1.830 1.419) 3.616 3.078 ( 2.870 -2.970 3.871) 5.661 3.078 ( 2.870 2.970 3.871) 5.661 3.122 ( 2.582 -5.623 4.060) 7.400 3.122 ( 2.582 5.623 4.060) 7.400 3.653 ( -3.636 -5.555 0.112) 6.640 3.653 ( -3.636 5.555 0.112) 6.640 3.933 ( 8.157 -7.995 -12.432) 16.882 3.933 ( 8.157 7.995 -12.432) 16.882 5.019 ( -7.448 -1.675 2.220) 7.950 5.019 ( -7.448 1.675 2.220) 7.950 5.332 ( -2.194 -4.176 2.091) 5.161 5.332 ( -2.194 4.176 2.091) 5.161 5.798 ( -9.959 -2.111 0.688) 10.204 5.798 ( -9.959 2.111 0.688) 10.204 5.919 ( -9.807 -2.054 -2.489) 10.325 5.919 ( -9.807 2.054 -2.489) 10.325 6.621 ( 0.359 -5.925 4.566) 7.489 6.621 ( 0.359 5.925 4.566) 7.489 6.867 ( 3.486 -13.583 5.524) 15.072 6.867 ( 3.486 13.583 5.524) 15.072 7.305 ( 10.285 -3.231 -10.482) 15.036 7.305 ( 10.285 3.231 -10.482) 15.036 7.628 ( 10.870 -4.763 -1.732) 11.994 7.628 ( 10.870 4.763 -1.732) 11.994 8.097 ( 9.272 -1.336 -0.207) 9.370 8.097 ( 9.272 1.336 -0.207) 9.370 8.390 ( -1.016 -1.739 1.203) 2.346 8.390 ( -1.016 1.739 1.203) 2.346 9.332 ( 7.473 -5.766 8.850) 12.939 9.332 ( 7.473 5.766 8.850) 12.939 9.927 ( -1.293 -2.183 -0.124) 2.541 9.927 ( -1.293 2.183 -0.124) 2.541 10.462 ( 0.109 -9.349 7.607) 12.053 10.462 ( 0.109 9.349 7.607) 12.053 10.667 ( -0.920 -13.470 -10.729) 17.245 10.667 ( -0.920 13.470 -10.729) 17.245 11.516 ( -1.711 -3.388 3.240) 4.990 11.516 ( -1.711 3.388 3.240) 4.990 11.846 ( -4.527 -2.700 -4.646) 7.026 11.846 ( -4.527 2.700 -4.646) 7.026 13.898 ( -0.983 -2.986 2.338) 3.918 13.898 ( -0.983 2.986 2.338) 3.918 14.155 ( -2.666 -0.732 2.482) 3.716 14.155 ( -2.666 0.732 2.482) 3.716 16.180 ( -11.928 -5.191 12.958) 18.361 16.180 ( -11.928 5.191 12.958) 18.361 16.499 ( -9.269 -10.187 -2.567) 14.009 16.499 ( -9.269 10.187 -2.567) 14.009 16.701 ( 0.852 -14.304 3.260) 14.696 16.701 ( 0.852 14.304 3.260) 14.696 16.883 ( -3.043 -8.968 -13.059) 16.132 16.883 ( -3.043 8.968 -13.059) 16.132 22.137 ( 4.123 -8.667 16.862) 19.402 22.137 ( 4.123 8.667 16.862) 19.402 22.502 ( 0.122 -8.774 -16.720) 18.883 22.502 ( 0.122 8.774 -16.720) 18.883 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.650 ( 3.023 -4.445 0.081) 5.376 2.650 ( 3.023 4.445 0.081) 5.376 2.805 ( -4.808 -3.003 -2.129) 6.056 2.805 ( -4.808 3.003 -2.129) 6.056 3.075 ( 0.454 -6.833 3.374) 7.634 3.075 ( 0.454 6.833 3.374) 7.634 3.209 ( 1.287 -3.616 -2.182) 4.415 3.209 ( 1.287 3.616 -2.182) 4.415 3.611 ( -1.136 -9.194 7.392) 11.852 3.611 ( -1.136 9.194 7.392) 11.852 4.054 ( 2.844 -7.934 -14.292) 16.593 4.054 ( 2.844 7.934 -14.292) 16.593 4.909 ( -2.700 -3.802 1.220) 4.820 4.909 ( -2.700 3.802 1.220) 4.820 5.242 ( -7.729 -2.835 4.254) 9.267 5.242 ( -7.729 2.835 4.254) 9.267 5.586 ( -9.015 -0.773 2.950) 9.517 5.586 ( -9.015 0.773 2.950) 9.517 5.726 ( -7.929 -1.853 -6.422) 10.371 5.726 ( -7.929 1.853 -6.422) 10.371 6.676 ( 4.181 -3.882 2.734) 6.327 6.676 ( 4.181 3.882 2.734) 6.327 6.911 ( 1.666 -7.434 -1.260) 7.722 6.911 ( 1.666 7.434 -1.260) 7.722 7.533 ( 11.362 -3.781 0.229) 11.977 7.533 ( 11.362 3.781 0.229) 11.977 7.827 ( 7.568 -5.693 -1.869) 9.653 7.827 ( 7.568 5.693 -1.869) 9.653 8.321 ( 11.968 -7.971 1.823) 14.495 8.321 ( 11.968 7.971 1.823) 14.495 8.440 ( 8.170 -7.419 -2.233) 11.260 8.440 ( 8.170 7.419 -2.233) 11.260 9.465 ( 4.340 -11.741 13.080) 18.104 9.465 ( 4.340 11.741 13.080) 18.104 9.879 ( -3.819 -8.292 -5.286) 10.549 9.879 ( -3.819 8.292 -5.286) 10.549 10.490 ( 3.482 -7.673 6.295) 10.517 10.490 ( 3.482 7.673 6.295) 10.517 10.675 ( 2.717 -10.503 -9.584) 14.476 10.675 ( 2.717 10.503 -9.584) 14.476 11.455 ( -4.777 -4.152 6.721) 9.232 11.455 ( -4.777 4.152 6.721) 9.232 11.722 ( -7.882 -2.515 -7.044) 10.865 11.722 ( -7.882 2.515 -7.044) 10.865 13.877 ( -0.964 -2.789 1.814) 3.464 13.877 ( -0.964 2.789 1.814) 3.464 14.085 ( -4.178 -1.264 2.587) 5.074 14.085 ( -4.178 1.264 2.587) 5.074 15.893 ( -15.958 -6.568 11.744) 20.874 15.893 ( -15.958 6.568 11.744) 20.874 16.217 ( -18.452 -5.956 -14.564) 24.250 16.217 ( -18.452 5.956 -14.564) 24.250 16.724 ( 1.711 -16.721 2.860) 17.050 16.724 ( 1.711 16.721 2.860) 17.050 16.849 ( -0.675 -17.316 -4.330) 17.862 16.849 ( -0.675 17.316 -4.330) 17.862 22.228 ( 4.650 -8.350 13.349) 16.418 22.228 ( 4.650 8.350 13.349) 16.418 22.500 ( -0.471 -9.063 -13.349) 16.141 22.500 ( -0.471 9.063 -13.349) 16.141 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.672 ( -0.776 -3.930 2.159) 4.551 2.672 ( -0.776 3.930 2.159) 4.551 2.799 ( 4.537 -3.958 -5.492) 8.149 2.799 ( 4.537 3.958 -5.492) 8.149 3.069 ( -2.639 -8.124 5.529) 10.175 3.069 ( -2.639 8.124 5.529) 10.175 3.195 ( 0.282 -8.123 -5.299) 9.703 3.195 ( 0.282 8.123 -5.299) 9.703 3.585 ( -1.649 -12.304 7.944) 14.738 3.585 ( -1.649 12.304 7.944) 14.738 3.997 ( -9.089 -7.647 -14.443) 18.700 3.997 ( -9.089 7.647 -14.443) 18.700 4.893 ( -0.101 -7.392 1.967) 7.650 4.893 ( -0.101 7.392 1.967) 7.650 5.067 ( -8.218 -3.111 2.835) 9.233 5.067 ( -8.218 3.111 2.835) 9.233 5.506 ( 0.616 -0.720 3.993) 4.104 5.506 ( 0.616 0.720 3.993) 4.104 5.639 ( -1.746 -2.998 -7.994) 8.715 5.639 ( -1.746 2.998 -7.994) 8.715 6.763 ( 4.592 -2.391 1.134) 5.300 6.763 ( 4.592 2.391 1.134) 5.300 6.932 ( 0.283 -4.398 -2.338) 4.989 6.932 ( 0.283 4.398 -2.338) 4.989 7.718 ( 7.492 -4.297 3.982) 9.510 7.718 ( 7.492 4.297 3.982) 9.510 7.902 ( 0.882 -2.504 -0.419) 2.687 7.902 ( 0.882 2.504 -0.419) 2.687 8.545 ( 11.633 -9.350 6.257) 16.184 8.545 ( 11.633 9.350 6.257) 16.184 8.676 ( 12.701 -10.413 -6.272) 17.581 8.676 ( 12.701 10.413 -6.272) 17.581 9.474 ( -2.417 -17.883 14.066) 22.880 9.474 ( -2.417 17.883 14.066) 22.880 9.768 ( -7.817 -16.776 -11.071) 21.566 9.768 ( -7.817 16.776 -11.071) 21.566 10.619 ( 9.687 -6.064 5.310) 12.601 10.619 ( 9.687 6.064 5.310) 12.601 10.792 ( 8.977 -7.050 -7.121) 13.454 10.792 ( 8.977 7.050 -7.121) 13.454 11.326 ( -8.311 -5.472 9.890) 14.030 11.326 ( -8.311 5.472 9.890) 14.030 11.545 ( -10.241 -3.504 -9.389) 14.328 11.545 ( -10.241 3.504 -9.389) 14.328 13.869 ( 0.202 -2.313 1.679) 2.865 13.869 ( 0.202 2.313 1.679) 2.865 14.003 ( -4.082 -1.555 2.158) 4.872 14.003 ( -4.082 1.555 2.158) 4.872 15.614 ( -11.460 -7.511 5.370) 14.717 15.614 ( -11.460 7.511 5.370) 14.717 15.847 ( -17.894 -6.607 -14.954) 24.238 15.847 ( -17.894 6.607 -14.954) 24.238 16.764 ( 2.183 -15.957 1.754) 16.201 16.764 ( 2.183 15.957 1.754) 16.201 16.842 ( -0.366 -17.575 -1.490) 17.641 16.842 ( -0.366 17.575 -1.490) 17.642 22.308 ( 3.605 -8.369 8.003) 12.128 22.308 ( 3.605 8.369 8.003) 12.128 22.479 ( -1.778 -9.184 -8.340) 12.532 22.479 ( -1.778 9.184 -8.340) 12.532 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.701 ( 4.258 -1.800 -0.373) 4.638 2.701 ( 4.258 1.800 -0.373) 4.638 2.813 ( -5.316 -2.325 -1.645) 6.031 2.813 ( -5.316 2.325 -1.645) 6.031 3.087 ( 7.031 -3.498 2.640) 8.285 3.087 ( 7.031 3.498 2.640) 8.285 3.204 ( -2.138 -4.988 0.442) 5.445 3.204 ( -2.138 4.988 0.442) 5.445 3.582 ( 3.253 -15.784 0.364) 16.120 3.582 ( 3.253 15.784 0.364) 16.120 3.753 ( -13.195 -11.195 -10.898) 20.450 3.753 ( -13.195 11.195 -10.898) 20.450 4.900 ( 1.256 -7.788 2.185) 8.185 4.900 ( 1.256 7.788 2.185) 8.185 4.950 ( -4.025 -6.478 1.363) 7.747 4.950 ( -4.025 6.478 1.363) 7.747 5.563 ( 3.680 -3.862 -0.178) 5.337 5.563 ( 3.680 3.862 -0.178) 5.337 5.615 ( -1.535 -4.685 -4.796) 6.878 5.615 ( -1.535 4.685 -4.796) 6.878 6.850 ( 4.109 -2.125 -0.121) 4.628 6.850 ( 4.109 2.125 -0.121) 4.628 6.914 ( -2.224 -2.849 -1.474) 3.903 6.914 ( -2.224 2.849 -1.474) 3.903 7.830 ( 4.220 -2.679 3.676) 6.205 7.830 ( 4.220 2.679 3.676) 6.205 7.889 ( -1.893 -1.094 1.735) 2.791 7.889 ( -1.893 1.094 1.735) 2.791 8.755 ( 8.938 -10.855 6.217) 15.374 8.755 ( 8.938 10.855 6.217) 15.374 8.838 ( 2.046 -10.624 0.064) 10.820 8.838 ( 2.046 10.624 0.064) 10.820 9.454 ( 2.644 -19.175 2.818) 19.561 9.454 ( 2.644 19.175 2.818) 19.561 9.589 ( -9.572 -19.529 -8.892) 23.496 9.589 ( -9.572 19.529 -8.892) 23.496 10.838 ( 11.617 -5.862 6.074) 14.360 10.838 ( 11.617 5.862 6.074) 14.360 10.969 ( 4.425 -6.079 -2.949) 8.077 10.969 ( 4.425 6.079 -2.949) 8.077 11.175 ( -2.825 -4.181 5.160) 7.218 11.175 ( -2.825 4.181 5.160) 7.218 11.326 ( -11.873 -3.782 -8.256) 14.948 11.326 ( -11.873 3.782 -8.256) 14.948 13.887 ( 1.680 -1.863 1.716) 3.039 13.887 ( 1.680 1.863 1.716) 3.039 13.933 ( -2.993 -1.643 1.724) 3.825 13.933 ( -2.993 1.643 1.724) 3.825 15.482 ( -1.402 -7.793 -2.709) 8.369 15.482 ( -1.402 7.793 -2.709) 8.369 15.567 ( -9.926 -7.412 -10.066) 15.962 15.567 ( -9.926 7.412 -10.066) 15.962 16.803 ( 1.746 -16.379 0.736) 16.488 16.803 ( 1.746 16.379 0.736) 16.488 16.830 ( -0.948 -17.032 -0.262) 17.060 16.830 ( -0.948 17.032 -0.262) 17.060 22.373 ( 3.171 -8.649 2.343) 9.505 22.373 ( 3.171 8.649 2.343) 9.505 22.433 ( -2.849 -8.996 -3.003) 9.903 22.433 ( -2.849 8.996 -3.003) 9.903 =================== 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 4401.272 4066.756 5343.652 0.000 0.000 -0.000 3/29160 20.0 767.976 621.654 757.761 0.000 0.000 -0.000 3/29160 30.0 221.885 199.447 219.123 0.000 0.000 -0.000 3/29160 40.0 99.806 92.564 100.084 0.000 0.000 -0.000 3/29160 50.0 57.886 54.896 58.838 0.000 0.000 -0.000 3/29160 60.0 38.871 37.577 39.949 0.000 0.000 -0.000 3/29160 70.0 28.625 28.111 29.676 0.000 0.000 -0.000 3/29160 80.0 22.437 22.311 23.416 0.000 0.000 -0.000 3/29160 90.0 18.382 18.459 19.281 0.000 0.000 -0.000 3/29160 100.0 15.558 15.744 16.382 0.000 0.000 -0.000 3/29160 110.0 13.494 13.739 14.251 0.000 0.000 -0.000 3/29160 120.0 11.927 12.203 12.626 0.000 0.000 -0.000 3/29160 130.0 10.700 10.991 11.349 0.000 0.000 -0.000 3/29160 140.0 9.714 10.011 10.320 0.000 0.000 -0.000 3/29160 150.0 8.904 9.202 9.474 0.000 0.000 -0.000 3/29160 160.0 8.228 8.523 8.765 0.000 0.000 -0.000 3/29160 170.0 7.653 7.944 8.162 0.000 0.000 -0.000 3/29160 180.0 7.159 7.444 7.643 0.000 0.000 -0.000 3/29160 190.0 6.730 7.007 7.191 0.000 0.000 -0.000 3/29160 200.0 6.352 6.622 6.794 0.000 0.000 -0.000 3/29160 210.0 6.017 6.280 6.441 0.000 0.000 -0.000 3/29160 220.0 5.718 5.973 6.125 0.000 0.000 -0.000 3/29160 230.0 5.449 5.697 5.841 0.000 0.000 -0.000 3/29160 240.0 5.206 5.447 5.583 0.000 0.000 -0.000 3/29160 250.0 4.985 5.218 5.349 0.000 0.000 -0.000 3/29160 260.0 4.782 5.009 5.134 0.000 0.000 -0.000 3/29160 270.0 4.597 4.817 4.937 0.000 0.000 -0.000 3/29160 280.0 4.425 4.640 4.755 0.000 0.000 -0.000 3/29160 290.0 4.267 4.475 4.587 0.000 0.000 -0.000 3/29160 300.0 4.120 4.322 4.431 0.000 0.000 -0.000 3/29160 310.0 3.983 4.180 4.285 0.000 0.000 -0.000 3/29160 320.0 3.855 4.047 4.149 0.000 0.000 -0.000 3/29160 330.0 3.736 3.923 4.021 0.000 0.000 -0.000 3/29160 340.0 3.624 3.806 3.902 0.000 0.000 -0.000 3/29160 350.0 3.518 3.696 3.789 0.000 0.000 -0.000 3/29160 360.0 3.419 3.592 3.683 0.000 0.000 -0.000 3/29160 370.0 3.325 3.494 3.583 0.000 0.000 -0.000 3/29160 380.0 3.237 3.401 3.488 0.000 0.000 -0.000 3/29160 390.0 3.153 3.313 3.398 0.000 0.000 -0.000 3/29160 400.0 3.073 3.230 3.313 0.000 0.000 -0.000 3/29160 410.0 2.998 3.151 3.232 0.000 0.000 -0.000 3/29160 420.0 2.926 3.076 3.155 0.000 0.000 -0.000 3/29160 430.0 2.857 3.004 3.081 0.000 0.000 -0.000 3/29160 440.0 2.792 2.935 3.011 0.000 0.000 -0.000 3/29160 450.0 2.729 2.870 2.944 0.000 0.000 -0.000 3/29160 460.0 2.670 2.807 2.880 0.000 0.000 -0.000 3/29160 470.0 2.613 2.748 2.819 0.000 0.000 -0.000 3/29160 480.0 2.558 2.690 2.761 0.000 0.000 -0.000 3/29160 490.0 2.506 2.635 2.704 0.000 0.000 -0.000 3/29160 500.0 2.456 2.583 2.650 0.000 0.000 -0.000 3/29160 510.0 2.407 2.532 2.599 0.000 0.000 -0.000 3/29160 520.0 2.361 2.483 2.549 0.000 0.000 -0.000 3/29160 530.0 2.316 2.437 2.501 0.000 0.000 -0.000 3/29160 540.0 2.273 2.391 2.455 0.000 0.000 -0.000 3/29160 550.0 2.232 2.348 2.410 0.000 0.000 -0.000 3/29160 560.0 2.192 2.306 2.367 0.000 0.000 -0.000 3/29160 570.0 2.154 2.266 2.326 0.000 0.000 -0.000 3/29160 580.0 2.117 2.227 2.286 0.000 0.000 -0.000 3/29160 590.0 2.081 2.189 2.247 0.000 0.000 -0.000 3/29160 600.0 2.046 2.152 2.210 0.000 0.000 -0.000 3/29160 610.0 2.012 2.117 2.174 0.000 0.000 -0.000 3/29160 620.0 1.980 2.083 2.139 0.000 0.000 -0.000 3/29160 630.0 1.949 2.050 2.105 0.000 0.000 -0.000 3/29160 640.0 1.918 2.018 2.072 0.000 0.000 -0.000 3/29160 650.0 1.889 1.987 2.040 0.000 0.000 -0.000 3/29160 660.0 1.860 1.957 2.010 0.000 0.000 -0.000 3/29160 670.0 1.832 1.928 1.980 0.000 0.000 -0.000 3/29160 680.0 1.805 1.900 1.951 0.000 0.000 -0.000 3/29160 690.0 1.779 1.872 1.923 0.000 0.000 -0.000 3/29160 700.0 1.754 1.845 1.895 0.000 0.000 -0.000 3/29160 710.0 1.729 1.819 1.869 0.000 0.000 -0.000 3/29160 720.0 1.705 1.794 1.843 0.000 0.000 -0.000 3/29160 730.0 1.682 1.770 1.818 0.000 0.000 -0.000 3/29160 740.0 1.659 1.746 1.793 0.000 0.000 -0.000 3/29160 750.0 1.637 1.723 1.769 0.000 0.000 -0.000 3/29160 760.0 1.616 1.700 1.746 0.000 0.000 -0.000 3/29160 770.0 1.595 1.678 1.723 0.000 0.000 -0.000 3/29160 780.0 1.574 1.656 1.701 0.000 0.000 -0.000 3/29160 790.0 1.554 1.636 1.680 0.000 0.000 -0.000 3/29160 800.0 1.535 1.615 1.659 0.000 0.000 -0.000 3/29160 810.0 1.516 1.595 1.639 0.000 0.000 -0.000 3/29160 820.0 1.498 1.576 1.619 0.000 0.000 -0.000 3/29160 830.0 1.480 1.557 1.599 0.000 0.000 -0.000 3/29160 840.0 1.462 1.538 1.580 0.000 0.000 -0.000 3/29160 850.0 1.445 1.520 1.562 0.000 0.000 -0.000 3/29160 860.0 1.428 1.503 1.544 0.000 0.000 -0.000 3/29160 870.0 1.412 1.485 1.526 0.000 0.000 -0.000 3/29160 880.0 1.396 1.469 1.509 0.000 0.000 -0.000 3/29160 890.0 1.380 1.452 1.492 0.000 0.000 -0.000 3/29160 900.0 1.365 1.436 1.475 0.000 0.000 -0.000 3/29160 910.0 1.350 1.420 1.459 0.000 0.000 -0.000 3/29160 920.0 1.335 1.405 1.443 0.000 0.000 -0.000 3/29160 930.0 1.321 1.390 1.428 0.000 0.000 -0.000 3/29160 940.0 1.307 1.375 1.413 0.000 0.000 -0.000 3/29160 950.0 1.293 1.361 1.398 0.000 0.000 -0.000 3/29160 960.0 1.279 1.346 1.383 0.000 0.000 -0.000 3/29160 970.0 1.266 1.333 1.369 0.000 0.000 -0.000 3/29160 980.0 1.253 1.319 1.355 0.000 0.000 -0.000 3/29160 990.0 1.241 1.306 1.341 0.000 0.000 -0.000 3/29160 1000.0 1.228 1.293 1.328 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 23:35:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|