----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:14:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.309493758350636 -1.832982170000000 0.000000000000000 b 6.309493758350636 1.832982170000000 0.000000000000000 c -3.270184712444663 0.000000000000000 5.802454648488032 Atomic positions (fractional): *1 Cl 0.36819429639987 0.36819429639987 0.03474542281194 35.453 2 Cl 0.63180570360013 0.63180570360013 0.96525457718806 35.453 *3 Rh 0.25107380620630 0.25107380620630 0.24499061516807 102.906 4 Rh 0.74892619379370 0.74892619379370 0.75500938483193 102.906 *5 Te 0.86878286694607 0.86878286694607 0.53557527692414 127.600 6 Te 0.13121713305392 0.13121713305392 0.46442472307586 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.618987516701273 0.000000000000000 0.000000000000000 b 0.000000000000000 3.665964339999999 0.000000000000000 c -3.270184712444663 0.000000000000000 5.802454648488032 Atomic positions (fractional): *1 Cl 0.36819429639987 0.00000000000000 0.03474542281194 35.453 > 1 2 Cl 0.13180570360013 0.50000000000000 0.96525457718806 35.453 > 2 3 Cl 0.86819429639987 0.50000000000000 0.03474542281194 35.453 > 1 4 Cl 0.63180570360013 0.00000000000000 0.96525457718806 35.453 > 2 *5 Rh 0.25107380620630 0.00000000000000 0.24499061516807 102.906 > 3 6 Rh 0.24892619379370 0.50000000000000 0.75500938483193 102.906 > 4 7 Rh 0.75107380620630 0.50000000000000 0.24499061516807 102.906 > 3 8 Rh 0.74892619379370 0.00000000000000 0.75500938483193 102.906 > 4 *9 Te 0.36878286694607 0.50000000000000 0.53557527692414 127.600 > 5 10 Te 0.13121713305392 0.00000000000000 0.46442472307586 127.600 > 6 11 Te 0.86878286694607 0.00000000000000 0.53557527692414 127.600 > 5 12 Te 0.63121713305393 0.50000000000000 0.46442472307586 127.600 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.618987516701273 0.000000000000000 0.000000000000000 b 0.000000000000000 14.663857359999996 0.000000000000000 c -6.540369424889326 0.000000000000000 11.604909296976064 Atomic positions (fractional): *1 Cl 0.36819429639987 0.00000000000000 0.01737271140597 35.453 > 1 2 Cl 0.36819429639987 0.25000000000000 0.01737271140597 35.453 > 1 3 Cl 0.36819429639987 0.50000000000000 0.01737271140597 35.453 > 1 4 Cl 0.36819429639987 0.75000000000000 0.01737271140597 35.453 > 1 5 Cl 0.36819429639987 0.00000000000000 0.51737271140597 35.453 > 1 6 Cl 0.36819429639987 0.25000000000000 0.51737271140597 35.453 > 1 7 Cl 0.36819429639987 0.50000000000000 0.51737271140597 35.453 > 1 8 Cl 0.36819429639987 0.75000000000000 0.51737271140597 35.453 > 1 9 Cl 0.13180570360013 0.12500000000000 0.48262728859403 35.453 > 2 10 Cl 0.13180570360013 0.37500000000000 0.48262728859403 35.453 > 2 11 Cl 0.13180570360013 0.62500000000000 0.48262728859403 35.453 > 2 12 Cl 0.13180570360013 0.87500000000000 0.48262728859403 35.453 > 2 13 Cl 0.13180570360013 0.12500000000000 0.98262728859403 35.453 > 2 14 Cl 0.13180570360013 0.37500000000000 0.98262728859403 35.453 > 2 15 Cl 0.13180570360013 0.62500000000000 0.98262728859403 35.453 > 2 16 Cl 0.13180570360013 0.87500000000000 0.98262728859403 35.453 > 2 17 Cl 0.86819429639987 0.12500000000000 0.01737271140597 35.453 > 1 18 Cl 0.86819429639987 0.37500000000000 0.01737271140597 35.453 > 1 19 Cl 0.86819429639987 0.62500000000000 0.01737271140597 35.453 > 1 20 Cl 0.86819429639987 0.87500000000000 0.01737271140597 35.453 > 1 21 Cl 0.86819429639987 0.12500000000000 0.51737271140597 35.453 > 1 22 Cl 0.86819429639987 0.37500000000000 0.51737271140597 35.453 > 1 23 Cl 0.86819429639987 0.62500000000000 0.51737271140597 35.453 > 1 24 Cl 0.86819429639987 0.87500000000000 0.51737271140597 35.453 > 1 25 Cl 0.63180570360013 0.00000000000000 0.48262728859403 35.453 > 2 26 Cl 0.63180570360013 0.25000000000000 0.48262728859403 35.453 > 2 27 Cl 0.63180570360013 0.50000000000000 0.48262728859403 35.453 > 2 28 Cl 0.63180570360013 0.75000000000000 0.48262728859403 35.453 > 2 29 Cl 0.63180570360013 0.00000000000000 0.98262728859403 35.453 > 2 30 Cl 0.63180570360013 0.25000000000000 0.98262728859403 35.453 > 2 31 Cl 0.63180570360013 0.50000000000000 0.98262728859403 35.453 > 2 32 Cl 0.63180570360013 0.75000000000000 0.98262728859403 35.453 > 2 *33 Rh 0.25107380620630 0.00000000000000 0.12249530758403 102.906 > 3 34 Rh 0.25107380620630 0.25000000000000 0.12249530758403 102.906 > 3 35 Rh 0.25107380620630 0.50000000000000 0.12249530758403 102.906 > 3 36 Rh 0.25107380620630 0.75000000000000 0.12249530758403 102.906 > 3 37 Rh 0.25107380620630 0.00000000000000 0.62249530758404 102.906 > 3 38 Rh 0.25107380620630 0.25000000000000 0.62249530758404 102.906 > 3 39 Rh 0.25107380620630 0.50000000000000 0.62249530758404 102.906 > 3 40 Rh 0.25107380620630 0.75000000000000 0.62249530758404 102.906 > 3 41 Rh 0.24892619379370 0.12500000000000 0.37750469241597 102.906 > 4 42 Rh 0.24892619379370 0.37500000000000 0.37750469241597 102.906 > 4 43 Rh 0.24892619379370 0.62500000000000 0.37750469241597 102.906 > 4 44 Rh 0.24892619379370 0.87500000000000 0.37750469241597 102.906 > 4 45 Rh 0.24892619379370 0.12500000000000 0.87750469241597 102.906 > 4 46 Rh 0.24892619379370 0.37500000000000 0.87750469241597 102.906 > 4 47 Rh 0.24892619379370 0.62500000000000 0.87750469241597 102.906 > 4 48 Rh 0.24892619379370 0.87500000000000 0.87750469241597 102.906 > 4 49 Rh 0.75107380620630 0.12500000000000 0.12249530758403 102.906 > 3 50 Rh 0.75107380620630 0.37500000000000 0.12249530758403 102.906 > 3 51 Rh 0.75107380620630 0.62500000000000 0.12249530758403 102.906 > 3 52 Rh 0.75107380620630 0.87500000000000 0.12249530758403 102.906 > 3 53 Rh 0.75107380620630 0.12500000000000 0.62249530758404 102.906 > 3 54 Rh 0.75107380620630 0.37500000000000 0.62249530758404 102.906 > 3 55 Rh 0.75107380620630 0.62500000000000 0.62249530758404 102.906 > 3 56 Rh 0.75107380620630 0.87500000000000 0.62249530758404 102.906 > 3 57 Rh 0.74892619379370 0.00000000000000 0.37750469241597 102.906 > 4 58 Rh 0.74892619379370 0.25000000000000 0.37750469241597 102.906 > 4 59 Rh 0.74892619379370 0.50000000000000 0.37750469241597 102.906 > 4 60 Rh 0.74892619379370 0.75000000000000 0.37750469241597 102.906 > 4 61 Rh 0.74892619379370 0.00000000000000 0.87750469241597 102.906 > 4 62 Rh 0.74892619379370 0.25000000000000 0.87750469241597 102.906 > 4 63 Rh 0.74892619379370 0.50000000000000 0.87750469241597 102.906 > 4 64 Rh 0.74892619379370 0.75000000000000 0.87750469241597 102.906 > 4 *65 Te 0.36878286694607 0.12500000000000 0.26778763846207 127.600 > 5 66 Te 0.36878286694607 0.37500000000000 0.26778763846207 127.600 > 5 67 Te 0.36878286694607 0.62500000000000 0.26778763846207 127.600 > 5 68 Te 0.36878286694607 0.87500000000000 0.26778763846207 127.600 > 5 69 Te 0.36878286694607 0.12500000000000 0.76778763846207 127.600 > 5 70 Te 0.36878286694607 0.37500000000000 0.76778763846207 127.600 > 5 71 Te 0.36878286694607 0.62500000000000 0.76778763846207 127.600 > 5 72 Te 0.36878286694607 0.87500000000000 0.76778763846207 127.600 > 5 73 Te 0.13121713305392 0.00000000000000 0.23221236153793 127.600 > 6 74 Te 0.13121713305392 0.25000000000000 0.23221236153793 127.600 > 6 75 Te 0.13121713305392 0.50000000000000 0.23221236153793 127.600 > 6 76 Te 0.13121713305392 0.75000000000000 0.23221236153793 127.600 > 6 77 Te 0.13121713305392 0.00000000000000 0.73221236153793 127.600 > 6 78 Te 0.13121713305392 0.25000000000000 0.73221236153793 127.600 > 6 79 Te 0.13121713305392 0.50000000000000 0.73221236153793 127.600 > 6 80 Te 0.13121713305392 0.75000000000000 0.73221236153793 127.600 > 6 81 Te 0.86878286694607 0.00000000000000 0.26778763846207 127.600 > 5 82 Te 0.86878286694607 0.25000000000000 0.26778763846207 127.600 > 5 83 Te 0.86878286694607 0.50000000000000 0.26778763846207 127.600 > 5 84 Te 0.86878286694607 0.75000000000000 0.26778763846207 127.600 > 5 85 Te 0.86878286694607 0.00000000000000 0.76778763846207 127.600 > 5 86 Te 0.86878286694607 0.25000000000000 0.76778763846207 127.600 > 5 87 Te 0.86878286694607 0.50000000000000 0.76778763846207 127.600 > 5 88 Te 0.86878286694607 0.75000000000000 0.76778763846207 127.600 > 5 89 Te 0.63121713305393 0.12500000000000 0.23221236153793 127.600 > 6 90 Te 0.63121713305393 0.37500000000000 0.23221236153793 127.600 > 6 91 Te 0.63121713305393 0.62500000000000 0.23221236153793 127.600 > 6 92 Te 0.63121713305393 0.87500000000000 0.23221236153793 127.600 > 6 93 Te 0.63121713305393 0.12500000000000 0.73221236153793 127.600 > 6 94 Te 0.63121713305393 0.37500000000000 0.73221236153793 127.600 > 6 95 Te 0.63121713305393 0.62500000000000 0.73221236153793 127.600 > 6 96 Te 0.63121713305393 0.87500000000000 0.73221236153793 127.600 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.8607849 0.0000000 -2.4958326 0.0000000 14.6370571 0.0000000 -2.4958408 0.0000000 11.8597259 -------------------------- Born effective charges -------------------------- 1 Cl -1.1847290 0.0000000 0.9058366 0.0000000 -2.3676959 0.0000000 0.5314643 0.0000000 -2.1182076 2 Cl -1.1847290 0.0000000 0.9058366 0.0000000 -2.3676959 0.0000000 0.5314643 0.0000000 -2.1182076 3 Rh -0.2018877 0.0000000 -1.0501407 0.0000000 0.3211931 0.0000000 -0.6091177 0.0000000 0.8841928 4 Rh -0.2018877 0.0000000 -1.0501407 0.0000000 0.3211931 0.0000000 -0.6091177 0.0000000 0.8841928 5 Te 1.3866166 0.0000000 0.1443041 0.0000000 2.0465028 0.0000000 0.0776534 0.0000000 1.2340148 6 Te 1.3866166 0.0000000 0.1443041 0.0000000 2.0465028 0.0000000 0.0776534 0.0000000 1.2340148 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 3204/3204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 756 Number of blocks in projector: 756 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: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (756, 742), data: False |-- (108, 108), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (180, 175), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.601 Solver_block: 200 / 240 - Time: 0.617 Solver_block: 240 / 240 - Time: 0.303 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.537 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 3204/3204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 756 Number of blocks in projector: 756 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: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (756, 742), data: False |-- (108, 108), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (180, 175), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:14:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:14:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.309493758350636 -1.832982170000000 0.000000000000000 b 6.309493758350636 1.832982170000000 0.000000000000000 c -3.270184712444663 0.000000000000000 5.802454648488032 Atomic positions (fractional): 1 Cl 0.36819429639987 0.36819429639987 0.03474542281194 35.453 2 Cl 0.63180570360013 0.63180570360013 0.96525457718806 35.453 3 Rh 0.25107380620630 0.25107380620630 0.24499061516807 102.906 4 Rh 0.74892619379370 0.74892619379370 0.75500938483193 102.906 5 Te 0.86878286694607 0.86878286694607 0.53557527692414 127.600 6 Te 0.13121713305392 0.13121713305392 0.46442472307586 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.618987516701273 0.000000000000000 0.000000000000000 b 0.000000000000000 14.663857359999996 0.000000000000000 c -6.540369424889326 0.000000000000000 11.604909296976064 Atomic positions (fractional): 1 Cl 0.36819429639987 0.00000000000000 0.01737271140597 35.453 > 1 2 Cl 0.36819429639987 0.25000000000000 0.01737271140597 35.453 > 1 3 Cl 0.36819429639987 0.50000000000000 0.01737271140597 35.453 > 1 4 Cl 0.36819429639987 0.75000000000000 0.01737271140597 35.453 > 1 5 Cl 0.36819429639987 0.00000000000000 0.51737271140597 35.453 > 1 6 Cl 0.36819429639987 0.25000000000000 0.51737271140597 35.453 > 1 7 Cl 0.36819429639987 0.50000000000000 0.51737271140597 35.453 > 1 8 Cl 0.36819429639987 0.75000000000000 0.51737271140597 35.453 > 1 9 Cl 0.13180570360013 0.12500000000000 0.48262728859403 35.453 > 9 10 Cl 0.13180570360013 0.37500000000000 0.48262728859403 35.453 > 9 11 Cl 0.13180570360013 0.62500000000000 0.48262728859403 35.453 > 9 12 Cl 0.13180570360013 0.87500000000000 0.48262728859403 35.453 > 9 13 Cl 0.13180570360013 0.12500000000000 0.98262728859403 35.453 > 9 14 Cl 0.13180570360013 0.37500000000000 0.98262728859403 35.453 > 9 15 Cl 0.13180570360013 0.62500000000000 0.98262728859403 35.453 > 9 16 Cl 0.13180570360013 0.87500000000000 0.98262728859403 35.453 > 9 17 Cl 0.86819429639987 0.12500000000000 0.01737271140597 35.453 > 1 18 Cl 0.86819429639987 0.37500000000000 0.01737271140597 35.453 > 1 19 Cl 0.86819429639987 0.62500000000000 0.01737271140597 35.453 > 1 20 Cl 0.86819429639987 0.87500000000000 0.01737271140597 35.453 > 1 21 Cl 0.86819429639987 0.12500000000000 0.51737271140597 35.453 > 1 22 Cl 0.86819429639987 0.37500000000000 0.51737271140597 35.453 > 1 23 Cl 0.86819429639987 0.62500000000000 0.51737271140597 35.453 > 1 24 Cl 0.86819429639987 0.87500000000000 0.51737271140597 35.453 > 1 25 Cl 0.63180570360013 0.00000000000000 0.48262728859403 35.453 > 9 26 Cl 0.63180570360013 0.25000000000000 0.48262728859403 35.453 > 9 27 Cl 0.63180570360013 0.50000000000000 0.48262728859403 35.453 > 9 28 Cl 0.63180570360013 0.75000000000000 0.48262728859403 35.453 > 9 29 Cl 0.63180570360013 0.00000000000000 0.98262728859403 35.453 > 9 30 Cl 0.63180570360013 0.25000000000000 0.98262728859403 35.453 > 9 31 Cl 0.63180570360013 0.50000000000000 0.98262728859403 35.453 > 9 32 Cl 0.63180570360013 0.75000000000000 0.98262728859403 35.453 > 9 33 Rh 0.25107380620630 0.00000000000000 0.12249530758403 102.906 > 33 34 Rh 0.25107380620630 0.25000000000000 0.12249530758403 102.906 > 33 35 Rh 0.25107380620630 0.50000000000000 0.12249530758403 102.906 > 33 36 Rh 0.25107380620630 0.75000000000000 0.12249530758403 102.906 > 33 37 Rh 0.25107380620630 0.00000000000000 0.62249530758404 102.906 > 33 38 Rh 0.25107380620630 0.25000000000000 0.62249530758404 102.906 > 33 39 Rh 0.25107380620630 0.50000000000000 0.62249530758404 102.906 > 33 40 Rh 0.25107380620630 0.75000000000000 0.62249530758404 102.906 > 33 41 Rh 0.24892619379370 0.12500000000000 0.37750469241597 102.906 > 41 42 Rh 0.24892619379370 0.37500000000000 0.37750469241597 102.906 > 41 43 Rh 0.24892619379370 0.62500000000000 0.37750469241597 102.906 > 41 44 Rh 0.24892619379370 0.87500000000000 0.37750469241597 102.906 > 41 45 Rh 0.24892619379370 0.12500000000000 0.87750469241597 102.906 > 41 46 Rh 0.24892619379370 0.37500000000000 0.87750469241597 102.906 > 41 47 Rh 0.24892619379370 0.62500000000000 0.87750469241597 102.906 > 41 48 Rh 0.24892619379370 0.87500000000000 0.87750469241597 102.906 > 41 49 Rh 0.75107380620630 0.12500000000000 0.12249530758403 102.906 > 33 50 Rh 0.75107380620630 0.37500000000000 0.12249530758403 102.906 > 33 51 Rh 0.75107380620630 0.62500000000000 0.12249530758403 102.906 > 33 52 Rh 0.75107380620630 0.87500000000000 0.12249530758403 102.906 > 33 53 Rh 0.75107380620630 0.12500000000000 0.62249530758404 102.906 > 33 54 Rh 0.75107380620630 0.37500000000000 0.62249530758404 102.906 > 33 55 Rh 0.75107380620630 0.62500000000000 0.62249530758404 102.906 > 33 56 Rh 0.75107380620630 0.87500000000000 0.62249530758404 102.906 > 33 57 Rh 0.74892619379370 0.00000000000000 0.37750469241597 102.906 > 41 58 Rh 0.74892619379370 0.25000000000000 0.37750469241597 102.906 > 41 59 Rh 0.74892619379370 0.50000000000000 0.37750469241597 102.906 > 41 60 Rh 0.74892619379370 0.75000000000000 0.37750469241597 102.906 > 41 61 Rh 0.74892619379370 0.00000000000000 0.87750469241597 102.906 > 41 62 Rh 0.74892619379370 0.25000000000000 0.87750469241597 102.906 > 41 63 Rh 0.74892619379370 0.50000000000000 0.87750469241597 102.906 > 41 64 Rh 0.74892619379370 0.75000000000000 0.87750469241597 102.906 > 41 65 Te 0.36878286694607 0.12500000000000 0.26778763846207 127.600 > 65 66 Te 0.36878286694607 0.37500000000000 0.26778763846207 127.600 > 65 67 Te 0.36878286694607 0.62500000000000 0.26778763846207 127.600 > 65 68 Te 0.36878286694607 0.87500000000000 0.26778763846207 127.600 > 65 69 Te 0.36878286694607 0.12500000000000 0.76778763846207 127.600 > 65 70 Te 0.36878286694607 0.37500000000000 0.76778763846207 127.600 > 65 71 Te 0.36878286694607 0.62500000000000 0.76778763846207 127.600 > 65 72 Te 0.36878286694607 0.87500000000000 0.76778763846207 127.600 > 65 73 Te 0.13121713305392 0.00000000000000 0.23221236153793 127.600 > 73 74 Te 0.13121713305392 0.25000000000000 0.23221236153793 127.600 > 73 75 Te 0.13121713305392 0.50000000000000 0.23221236153793 127.600 > 73 76 Te 0.13121713305392 0.75000000000000 0.23221236153793 127.600 > 73 77 Te 0.13121713305392 0.00000000000000 0.73221236153793 127.600 > 73 78 Te 0.13121713305392 0.25000000000000 0.73221236153793 127.600 > 73 79 Te 0.13121713305392 0.50000000000000 0.73221236153793 127.600 > 73 80 Te 0.13121713305392 0.75000000000000 0.73221236153793 127.600 > 73 81 Te 0.86878286694607 0.00000000000000 0.26778763846207 127.600 > 65 82 Te 0.86878286694607 0.25000000000000 0.26778763846207 127.600 > 65 83 Te 0.86878286694607 0.50000000000000 0.26778763846207 127.600 > 65 84 Te 0.86878286694607 0.75000000000000 0.26778763846207 127.600 > 65 85 Te 0.86878286694607 0.00000000000000 0.76778763846207 127.600 > 65 86 Te 0.86878286694607 0.25000000000000 0.76778763846207 127.600 > 65 87 Te 0.86878286694607 0.50000000000000 0.76778763846207 127.600 > 65 88 Te 0.86878286694607 0.75000000000000 0.76778763846207 127.600 > 65 89 Te 0.63121713305393 0.12500000000000 0.23221236153793 127.600 > 73 90 Te 0.63121713305393 0.37500000000000 0.23221236153793 127.600 > 73 91 Te 0.63121713305393 0.62500000000000 0.23221236153793 127.600 > 73 92 Te 0.63121713305393 0.87500000000000 0.23221236153793 127.600 > 73 93 Te 0.63121713305393 0.12500000000000 0.73221236153793 127.600 > 73 94 Te 0.63121713305393 0.37500000000000 0.73221236153793 127.600 > 73 95 Te 0.63121713305393 0.62500000000000 0.73221236153793 127.600 > 73 96 Te 0.63121713305393 0.87500000000000 0.73221236153793 127.600 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.8607849 0.0000000 -2.4958326 0.0000000 14.6370571 0.0000000 -2.4958408 0.0000000 11.8597259 -------------------------- Born effective charges -------------------------- 1 Cl -1.1847290 0.0000000 0.9058366 0.0000000 -2.3676959 0.0000000 0.5314643 0.0000000 -2.1182076 2 Cl -1.1847290 0.0000000 0.9058366 0.0000000 -2.3676959 0.0000000 0.5314643 0.0000000 -2.1182076 3 Rh -0.2018877 0.0000000 -1.0501407 0.0000000 0.3211931 0.0000000 -0.6091177 0.0000000 0.8841928 4 Rh -0.2018877 0.0000000 -1.0501407 0.0000000 0.3211931 0.0000000 -0.6091177 0.0000000 0.8841928 5 Te 1.3866166 0.0000000 0.1443041 0.0000000 2.0465028 0.0000000 0.0776534 0.0000000 1.2340148 6 Te 1.3866166 0.0000000 0.1443041 0.0000000 2.0465028 0.0000000 0.0776534 0.0000000 1.2340148 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) 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 05:14:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:14:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.309493758350636 -1.832982170000000 0.000000000000000 b 6.309493758350636 1.832982170000000 0.000000000000000 c -3.270184712444663 0.000000000000000 5.802454648488032 Atomic positions (fractional): 1 Cl 0.36819429639987 0.36819429639987 0.03474542281194 35.453 2 Cl 0.63180570360013 0.63180570360013 0.96525457718806 35.453 3 Rh 0.25107380620630 0.25107380620630 0.24499061516807 102.906 4 Rh 0.74892619379370 0.74892619379370 0.75500938483193 102.906 5 Te 0.86878286694607 0.86878286694607 0.53557527692414 127.600 6 Te 0.13121713305392 0.13121713305392 0.46442472307586 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.618987516701273 0.000000000000000 0.000000000000000 b 0.000000000000000 14.663857359999996 0.000000000000000 c -6.540369424889326 0.000000000000000 11.604909296976064 Atomic positions (fractional): 1 Cl 0.36819429639987 0.00000000000000 0.01737271140597 35.453 > 1 2 Cl 0.36819429639987 0.25000000000000 0.01737271140597 35.453 > 1 3 Cl 0.36819429639987 0.50000000000000 0.01737271140597 35.453 > 1 4 Cl 0.36819429639987 0.75000000000000 0.01737271140597 35.453 > 1 5 Cl 0.36819429639987 0.00000000000000 0.51737271140597 35.453 > 1 6 Cl 0.36819429639987 0.25000000000000 0.51737271140597 35.453 > 1 7 Cl 0.36819429639987 0.50000000000000 0.51737271140597 35.453 > 1 8 Cl 0.36819429639987 0.75000000000000 0.51737271140597 35.453 > 1 9 Cl 0.13180570360013 0.12500000000000 0.48262728859403 35.453 > 9 10 Cl 0.13180570360013 0.37500000000000 0.48262728859403 35.453 > 9 11 Cl 0.13180570360013 0.62500000000000 0.48262728859403 35.453 > 9 12 Cl 0.13180570360013 0.87500000000000 0.48262728859403 35.453 > 9 13 Cl 0.13180570360013 0.12500000000000 0.98262728859403 35.453 > 9 14 Cl 0.13180570360013 0.37500000000000 0.98262728859403 35.453 > 9 15 Cl 0.13180570360013 0.62500000000000 0.98262728859403 35.453 > 9 16 Cl 0.13180570360013 0.87500000000000 0.98262728859403 35.453 > 9 17 Cl 0.86819429639987 0.12500000000000 0.01737271140597 35.453 > 1 18 Cl 0.86819429639987 0.37500000000000 0.01737271140597 35.453 > 1 19 Cl 0.86819429639987 0.62500000000000 0.01737271140597 35.453 > 1 20 Cl 0.86819429639987 0.87500000000000 0.01737271140597 35.453 > 1 21 Cl 0.86819429639987 0.12500000000000 0.51737271140597 35.453 > 1 22 Cl 0.86819429639987 0.37500000000000 0.51737271140597 35.453 > 1 23 Cl 0.86819429639987 0.62500000000000 0.51737271140597 35.453 > 1 24 Cl 0.86819429639987 0.87500000000000 0.51737271140597 35.453 > 1 25 Cl 0.63180570360013 0.00000000000000 0.48262728859403 35.453 > 9 26 Cl 0.63180570360013 0.25000000000000 0.48262728859403 35.453 > 9 27 Cl 0.63180570360013 0.50000000000000 0.48262728859403 35.453 > 9 28 Cl 0.63180570360013 0.75000000000000 0.48262728859403 35.453 > 9 29 Cl 0.63180570360013 0.00000000000000 0.98262728859403 35.453 > 9 30 Cl 0.63180570360013 0.25000000000000 0.98262728859403 35.453 > 9 31 Cl 0.63180570360013 0.50000000000000 0.98262728859403 35.453 > 9 32 Cl 0.63180570360013 0.75000000000000 0.98262728859403 35.453 > 9 33 Rh 0.25107380620630 0.00000000000000 0.12249530758403 102.906 > 33 34 Rh 0.25107380620630 0.25000000000000 0.12249530758403 102.906 > 33 35 Rh 0.25107380620630 0.50000000000000 0.12249530758403 102.906 > 33 36 Rh 0.25107380620630 0.75000000000000 0.12249530758403 102.906 > 33 37 Rh 0.25107380620630 0.00000000000000 0.62249530758404 102.906 > 33 38 Rh 0.25107380620630 0.25000000000000 0.62249530758404 102.906 > 33 39 Rh 0.25107380620630 0.50000000000000 0.62249530758404 102.906 > 33 40 Rh 0.25107380620630 0.75000000000000 0.62249530758404 102.906 > 33 41 Rh 0.24892619379370 0.12500000000000 0.37750469241597 102.906 > 41 42 Rh 0.24892619379370 0.37500000000000 0.37750469241597 102.906 > 41 43 Rh 0.24892619379370 0.62500000000000 0.37750469241597 102.906 > 41 44 Rh 0.24892619379370 0.87500000000000 0.37750469241597 102.906 > 41 45 Rh 0.24892619379370 0.12500000000000 0.87750469241597 102.906 > 41 46 Rh 0.24892619379370 0.37500000000000 0.87750469241597 102.906 > 41 47 Rh 0.24892619379370 0.62500000000000 0.87750469241597 102.906 > 41 48 Rh 0.24892619379370 0.87500000000000 0.87750469241597 102.906 > 41 49 Rh 0.75107380620630 0.12500000000000 0.12249530758403 102.906 > 33 50 Rh 0.75107380620630 0.37500000000000 0.12249530758403 102.906 > 33 51 Rh 0.75107380620630 0.62500000000000 0.12249530758403 102.906 > 33 52 Rh 0.75107380620630 0.87500000000000 0.12249530758403 102.906 > 33 53 Rh 0.75107380620630 0.12500000000000 0.62249530758404 102.906 > 33 54 Rh 0.75107380620630 0.37500000000000 0.62249530758404 102.906 > 33 55 Rh 0.75107380620630 0.62500000000000 0.62249530758404 102.906 > 33 56 Rh 0.75107380620630 0.87500000000000 0.62249530758404 102.906 > 33 57 Rh 0.74892619379370 0.00000000000000 0.37750469241597 102.906 > 41 58 Rh 0.74892619379370 0.25000000000000 0.37750469241597 102.906 > 41 59 Rh 0.74892619379370 0.50000000000000 0.37750469241597 102.906 > 41 60 Rh 0.74892619379370 0.75000000000000 0.37750469241597 102.906 > 41 61 Rh 0.74892619379370 0.00000000000000 0.87750469241597 102.906 > 41 62 Rh 0.74892619379370 0.25000000000000 0.87750469241597 102.906 > 41 63 Rh 0.74892619379370 0.50000000000000 0.87750469241597 102.906 > 41 64 Rh 0.74892619379370 0.75000000000000 0.87750469241597 102.906 > 41 65 Te 0.36878286694607 0.12500000000000 0.26778763846207 127.600 > 65 66 Te 0.36878286694607 0.37500000000000 0.26778763846207 127.600 > 65 67 Te 0.36878286694607 0.62500000000000 0.26778763846207 127.600 > 65 68 Te 0.36878286694607 0.87500000000000 0.26778763846207 127.600 > 65 69 Te 0.36878286694607 0.12500000000000 0.76778763846207 127.600 > 65 70 Te 0.36878286694607 0.37500000000000 0.76778763846207 127.600 > 65 71 Te 0.36878286694607 0.62500000000000 0.76778763846207 127.600 > 65 72 Te 0.36878286694607 0.87500000000000 0.76778763846207 127.600 > 65 73 Te 0.13121713305392 0.00000000000000 0.23221236153793 127.600 > 73 74 Te 0.13121713305392 0.25000000000000 0.23221236153793 127.600 > 73 75 Te 0.13121713305392 0.50000000000000 0.23221236153793 127.600 > 73 76 Te 0.13121713305392 0.75000000000000 0.23221236153793 127.600 > 73 77 Te 0.13121713305392 0.00000000000000 0.73221236153793 127.600 > 73 78 Te 0.13121713305392 0.25000000000000 0.73221236153793 127.600 > 73 79 Te 0.13121713305392 0.50000000000000 0.73221236153793 127.600 > 73 80 Te 0.13121713305392 0.75000000000000 0.73221236153793 127.600 > 73 81 Te 0.86878286694607 0.00000000000000 0.26778763846207 127.600 > 65 82 Te 0.86878286694607 0.25000000000000 0.26778763846207 127.600 > 65 83 Te 0.86878286694607 0.50000000000000 0.26778763846207 127.600 > 65 84 Te 0.86878286694607 0.75000000000000 0.26778763846207 127.600 > 65 85 Te 0.86878286694607 0.00000000000000 0.76778763846207 127.600 > 65 86 Te 0.86878286694607 0.25000000000000 0.76778763846207 127.600 > 65 87 Te 0.86878286694607 0.50000000000000 0.76778763846207 127.600 > 65 88 Te 0.86878286694607 0.75000000000000 0.76778763846207 127.600 > 65 89 Te 0.63121713305393 0.12500000000000 0.23221236153793 127.600 > 73 90 Te 0.63121713305393 0.37500000000000 0.23221236153793 127.600 > 73 91 Te 0.63121713305393 0.62500000000000 0.23221236153793 127.600 > 73 92 Te 0.63121713305393 0.87500000000000 0.23221236153793 127.600 > 73 93 Te 0.63121713305393 0.12500000000000 0.73221236153793 127.600 > 73 94 Te 0.63121713305393 0.37500000000000 0.73221236153793 127.600 > 73 95 Te 0.63121713305393 0.62500000000000 0.73221236153793 127.600 > 73 96 Te 0.63121713305393 0.87500000000000 0.73221236153793 127.600 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.8607849 0.0000000 -2.4958326 0.0000000 14.6370571 0.0000000 -2.4958408 0.0000000 11.8597259 -------------------------- Born effective charges -------------------------- 1 Cl -1.1847290 0.0000000 0.9058366 0.0000000 -2.3676959 0.0000000 0.5314643 0.0000000 -2.1182076 2 Cl -1.1847290 0.0000000 0.9058366 0.0000000 -2.3676959 0.0000000 0.5314643 0.0000000 -2.1182076 3 Rh -0.2018877 0.0000000 -1.0501407 0.0000000 0.3211931 0.0000000 -0.6091177 0.0000000 0.8841928 4 Rh -0.2018877 0.0000000 -1.0501407 0.0000000 0.3211931 0.0000000 -0.6091177 0.0000000 0.8841928 5 Te 1.3866166 0.0000000 0.1443041 0.0000000 2.0465028 0.0000000 0.0776534 0.0000000 1.2340148 6 Te 1.3866166 0.0000000 0.1443041 0.0000000 2.0465028 0.0000000 0.0776534 0.0000000 1.2340148 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 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: 0.81, Number of G-points: 289, Lambda: 0.31 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/477) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 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 2.522 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/477) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( 6.897 -11.990 2.122) 13.994 0.428 ( 4.222 -21.444 -0.437) 21.860 0.728 ( 0.886 -36.938 2.170) 37.012 2.525 ( -1.370 -0.540 1.641) 2.205 3.063 ( -0.117 -6.541 1.188) 6.649 4.531 ( 1.556 -2.146 -1.339) 2.969 4.562 ( -1.294 1.317 2.818) 3.369 5.161 ( -2.225 -6.708 -0.644) 7.097 5.217 ( -4.218 -1.463 -3.793) 5.858 5.312 ( -4.634 -6.678 -3.685) 8.925 5.917 ( 0.235 2.577 0.234) 2.598 6.160 ( -0.251 2.816 0.335) 2.847 6.421 ( 0.609 10.750 1.597) 10.885 6.520 ( -0.054 2.328 0.180) 2.336 6.827 ( -0.067 -4.683 -1.918) 5.061 6.846 ( -0.006 -1.317 2.354) 2.698 7.340 ( -0.222 -1.374 0.431) 1.457 7.433 ( 1.148 -1.048 0.057) 1.556 ======================= Grid point 2 (3/477) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 5.756 -16.032 0.017) 17.034 0.889 ( 2.854 -24.078 -0.785) 24.259 1.457 ( 0.095 -36.731 0.791) 36.740 2.546 ( -2.703 -2.615 1.721) 4.136 3.248 ( -0.251 -11.743 0.946) 11.784 4.511 ( -1.903 3.682 1.277) 4.337 4.596 ( 2.599 -3.104 0.817) 4.130 5.197 ( -2.075 0.053 -1.181) 2.388 5.317 ( -3.046 -9.514 1.293) 10.073 5.432 ( -1.536 -8.088 -5.096) 9.682 5.839 ( 2.694 5.875 -0.944) 6.532 6.089 ( -1.713 3.646 2.145) 4.564 6.284 ( 1.481 3.733 -0.627) 4.064 6.470 ( -0.219 2.366 -0.880) 2.534 6.797 ( -1.225 2.787 0.226) 3.053 6.924 ( 0.847 -1.871 -0.048) 2.054 7.366 ( -0.580 -1.057 0.475) 1.296 7.458 ( 1.232 -0.228 0.914) 1.551 ======================= Grid point 3 (4/477) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 5.178 -17.231 -1.200) 18.032 1.387 ( 0.957 -26.009 -1.429) 26.066 2.135 ( -0.935 -32.006 -1.262) 32.045 2.618 ( -3.392 -6.532 0.341) 7.368 3.502 ( -0.806 -13.920 -0.694) 13.960 4.400 ( -3.498 6.411 1.114) 7.388 4.684 ( 3.655 -3.791 0.745) 5.319 5.186 ( -1.620 -0.279 -0.124) 1.649 5.480 ( -4.239 -8.076 1.779) 9.293 5.544 ( 1.087 -4.786 -6.789) 8.377 5.744 ( 2.554 4.058 -0.448) 4.816 6.041 ( -1.223 0.754 1.694) 2.221 6.268 ( 0.838 -0.958 -0.669) 1.438 6.427 ( -0.415 1.083 -2.594) 2.842 6.719 ( -1.865 4.289 0.669) 4.725 6.927 ( 1.000 1.784 -1.160) 2.351 7.372 ( -1.163 0.088 -0.080) 1.169 7.453 ( 1.198 1.661 1.078) 2.315 ======================= Grid point 4 (5/477) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 4.893 -17.456 -1.577) 18.197 1.891 ( -0.596 -25.797 -1.977) 25.879 2.587 ( -3.048 -13.049 -2.520) 13.635 2.818 ( -2.337 -17.502 -1.768) 17.746 3.746 ( -1.103 -11.462 -2.697) 11.826 4.241 ( -4.418 7.407 0.467) 8.637 4.789 ( 3.663 -4.437 0.835) 5.814 5.183 ( -0.967 0.111 -0.381) 1.045 5.555 ( -4.096 -1.419 0.126) 4.337 5.602 ( -0.262 -4.068 -3.746) 5.536 5.735 ( 3.961 -1.188 -2.506) 4.835 6.052 ( -0.742 -1.617 -0.044) 1.779 6.306 ( -0.884 -2.489 1.063) 2.847 6.415 ( 0.048 -1.291 -4.035) 4.237 6.620 ( -2.484 4.578 0.927) 5.290 6.866 ( 1.178 4.382 -1.743) 4.860 7.348 ( -1.454 1.366 -0.982) 2.223 7.426 ( 0.592 1.720 0.972) 2.062 ======================= Grid point 5 (6/477) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 4.843 -17.450 -1.520) 18.173 2.364 ( -1.316 -23.831 -2.162) 23.965 2.683 ( -4.298 -1.434 -1.918) 4.920 3.119 ( -1.702 -12.596 -2.812) 13.017 3.885 ( 0.661 -3.414 -6.704) 7.552 4.091 ( -5.545 4.539 2.815) 7.699 4.893 ( 2.671 -3.849 0.319) 4.696 5.165 ( -0.359 0.896 0.098) 0.970 5.570 ( -3.164 -3.107 -0.899) 4.525 5.662 ( -0.760 -3.800 -3.619) 5.302 5.785 ( 3.755 -1.950 -2.334) 4.832 6.061 ( -0.479 0.911 -0.189) 1.046 6.357 ( -1.595 -2.773 1.805) 3.673 6.448 ( 0.235 -2.592 -3.537) 4.392 6.535 ( -2.787 2.046 0.044) 3.458 6.771 ( 1.402 5.099 -1.431) 5.478 7.304 ( -1.215 1.787 -1.365) 2.556 7.403 ( -0.302 0.998 0.470) 1.144 ======================= Grid point 6 (7/477) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 4.912 -16.739 -1.151) 17.483 2.585 ( -4.370 7.888 -1.381) 9.123 2.785 ( -1.762 -19.895 -0.534) 19.980 3.246 ( -0.928 -1.491 -1.736) 2.469 3.836 ( 1.293 4.241 -7.684) 8.871 4.042 ( -3.846 0.293 4.274) 5.757 4.959 ( 1.110 -1.710 -0.173) 2.046 5.161 ( 0.090 -0.421 0.405) 0.591 5.632 ( -2.580 -4.787 -0.894) 5.511 5.717 ( 0.828 -2.237 -3.503) 4.238 5.832 ( 1.714 -2.269 -0.804) 2.956 6.006 ( -0.191 4.326 0.347) 4.345 6.387 ( -1.582 -0.444 2.130) 2.690 6.461 ( 0.091 -0.012 -0.985) 0.989 6.549 ( -1.611 -4.066 -2.357) 4.968 6.689 ( 1.319 3.645 -0.422) 3.899 7.263 ( -0.745 1.269 -0.978) 1.767 7.385 ( -0.528 0.605 0.011) 0.804 ======================= Grid point 7 (8/477) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 442 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 -0.000 0.000) 0.000 2.354 ( -0.000 0.000 0.000) 0.000 3.057 ( 0.000 -0.000 0.000) 0.000 3.178 ( 0.000 -0.000 -0.000) 0.000 3.777 ( 0.000 -0.000 0.000) 0.000 4.034 ( -0.000 -0.000 -0.000) 0.000 4.977 ( 0.000 -0.000 0.000) 0.000 5.169 ( 0.000 -0.000 0.000) 0.000 5.692 ( 0.000 -0.000 0.000) 0.000 5.717 ( 0.000 0.000 -0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 -0.000 -0.000) 0.000 6.387 ( 0.000 -0.000 0.000) 0.000 6.461 ( 0.000 -0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 -0.000 0.000) 0.000 7.246 ( 0.000 -0.000 0.000) 0.000 7.377 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/477) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.174 ( 7.332 -0.000 13.619) 15.467 0.202 ( 13.927 -0.000 6.284) 15.279 0.248 ( 18.891 -0.000 4.723) 19.473 2.526 ( -0.605 0.000 2.410) 2.484 3.001 ( 0.024 -0.000 1.207) 1.207 4.384 ( 0.709 -0.000 0.051) 0.711 4.571 ( -0.532 0.000 0.297) 0.609 4.745 ( 8.552 -0.000 -13.269) 15.786 5.100 ( -0.083 0.000 0.650) 0.656 5.266 ( 0.468 -0.000 -1.026) 1.128 5.948 ( -6.890 0.000 12.470) 14.247 6.189 ( 0.339 -0.000 -0.571) 0.664 6.542 ( 0.485 -0.000 1.193) 1.287 6.653 ( 0.729 -0.000 0.317) 0.795 6.656 ( 0.700 -0.000 0.825) 1.082 6.849 ( -1.077 0.000 1.399) 1.766 7.326 ( -0.383 0.000 0.989) 1.060 7.438 ( 3.717 -0.000 -2.860) 4.690 ======================= Grid point 17 (10/477) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 10.853 -7.246 4.846) 13.920 0.511 ( 10.698 -17.077 -1.079) 20.180 0.772 ( 2.542 -33.621 5.115) 34.103 2.519 ( -2.732 0.319 4.183) 5.007 3.073 ( -0.409 -6.468 2.662) 7.007 4.538 ( 1.848 -1.954 -3.163) 4.152 4.575 ( -1.760 -0.518 7.012) 7.248 5.010 ( -11.627 -15.780 -10.447) 22.211 5.175 ( -0.968 -5.852 0.421) 5.946 5.279 ( 0.630 -2.695 -2.167) 3.515 5.925 ( 0.317 2.012 1.139) 2.334 6.160 ( -0.211 2.982 0.454) 3.023 6.442 ( 0.887 10.859 1.804) 11.044 6.524 ( 0.539 2.874 0.462) 2.960 6.812 ( -0.275 -2.115 -1.830) 2.811 6.864 ( -0.031 -3.654 2.898) 4.663 7.341 ( -0.545 -1.247 1.210) 1.821 7.458 ( 2.638 -0.740 0.698) 2.827 ======================= Grid point 18 (11/477) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 7.950 -13.373 0.304) 15.560 0.931 ( 5.646 -21.408 -1.141) 22.170 1.465 ( 0.146 -34.988 1.047) 35.004 2.521 ( -4.248 -1.779 3.058) 5.528 3.251 ( -0.619 -10.959 1.412) 11.066 4.492 ( -2.986 4.333 1.601) 5.500 4.644 ( 4.025 -2.989 2.140) 5.451 5.143 ( -4.975 -4.784 -3.614) 7.790 5.279 ( -4.985 -8.155 2.215) 9.811 5.393 ( 1.578 -8.085 -6.589) 10.549 5.870 ( 3.560 5.329 -0.911) 6.473 6.084 ( -2.452 3.734 3.710) 5.807 6.299 ( 2.220 4.298 -1.658) 5.113 6.459 ( -0.278 3.221 -1.335) 3.498 6.780 ( -1.911 2.762 0.391) 3.381 6.935 ( 1.138 -1.383 -0.164) 1.799 7.362 ( -0.875 -0.655 0.857) 1.389 7.485 ( 2.040 0.156 1.576) 2.582 ======================= Grid point 19 (12/477) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 6.070 -16.258 -1.986) 17.468 1.394 ( 2.100 -24.092 -1.624) 24.237 2.111 ( -1.417 -30.662 -2.058) 30.764 2.574 ( -4.614 -6.183 0.493) 7.730 3.484 ( -1.265 -12.989 -1.124) 13.099 4.363 ( -4.321 7.077 1.243) 8.385 4.739 ( 4.573 -3.542 1.475) 5.970 5.163 ( -2.070 -1.093 -0.524) 2.399 5.428 ( -6.256 -8.371 0.916) 10.491 5.516 ( 2.064 -5.039 -7.804) 9.516 5.775 ( 3.337 4.447 -0.717) 5.606 6.039 ( -1.475 0.901 2.638) 3.154 6.274 ( 0.984 -0.551 -0.923) 1.457 6.401 ( -0.450 1.366 -3.673) 3.944 6.699 ( -2.535 4.360 0.934) 5.129 6.931 ( 1.239 2.046 -1.581) 2.868 7.357 ( -1.331 0.616 0.074) 1.469 7.476 ( 1.351 2.167 1.266) 2.850 ======================= Grid point 20 (13/477) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 5.174 -17.270 -2.475) 18.197 1.872 ( -0.173 -24.786 -2.068) 24.873 2.528 ( -3.938 -12.113 -3.265) 13.149 2.775 ( -2.753 -17.983 -2.340) 18.342 3.711 ( -1.434 -11.209 -3.520) 11.835 4.190 ( -4.932 7.680 0.577) 9.146 4.840 ( 4.103 -3.715 1.130) 5.649 5.168 ( -1.147 -0.380 -0.441) 1.286 5.502 ( -4.800 -2.486 -0.761) 5.459 5.571 ( -0.607 -3.474 -4.553) 5.759 5.766 ( 4.576 -1.165 -2.832) 5.506 6.043 ( -0.811 -1.326 0.064) 1.555 6.300 ( -1.573 -1.912 1.392) 2.841 6.390 ( 0.678 -1.643 -4.906) 5.218 6.596 ( -3.002 4.713 1.259) 5.728 6.868 ( 1.331 4.292 -2.036) 4.933 7.326 ( -1.438 1.590 -0.812) 2.292 7.436 ( 0.310 2.349 0.750) 2.486 ======================= Grid point 21 (14/477) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 4.819 -17.623 -2.111) 18.391 2.336 ( -1.013 -23.654 -2.171) 23.775 2.617 ( -4.820 -1.825 -2.195) 5.602 3.079 ( -1.904 -13.109 -3.193) 13.626 3.849 ( 1.333 -3.582 -7.852) 8.733 4.042 ( -6.547 3.580 3.385) 8.194 4.928 ( 2.987 -2.709 0.406) 4.053 5.160 ( -0.737 0.350 0.154) 0.830 5.524 ( -3.492 -3.549 -1.290) 5.143 5.627 ( -0.998 -4.375 -4.204) 6.149 5.815 ( 4.156 -1.549 -2.512) 5.097 6.054 ( -0.535 0.538 -0.165) 0.776 6.347 ( -2.146 -3.390 1.596) 4.318 6.429 ( 0.882 -2.986 -3.913) 5.001 6.504 ( -3.020 2.694 0.654) 4.100 6.778 ( 1.379 4.784 -1.478) 5.194 7.281 ( -1.142 1.635 -1.272) 2.365 7.400 ( -0.581 1.384 0.267) 1.524 ======================= Grid point 22 (15/477) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 4.664 -17.033 -1.340) 17.711 2.526 ( -4.395 7.517 -1.273) 8.800 2.763 ( -1.451 -20.529 -0.339) 20.583 3.222 ( -1.044 -2.845 -1.912) 3.583 3.809 ( 2.620 3.482 -7.419) 8.604 4.016 ( -5.137 -1.277 3.823) 6.529 4.975 ( 1.746 -0.761 0.399) 1.946 5.159 ( -0.693 -0.584 -0.067) 0.909 5.596 ( -2.555 -5.540 -1.043) 6.190 5.701 ( 0.275 -4.023 -3.285) 5.201 5.849 ( 2.254 -1.046 -0.981) 2.671 6.006 ( -0.181 4.015 0.377) 4.037 6.382 ( -1.762 -0.397 2.113) 2.780 6.458 ( 0.372 -0.406 -0.733) 0.917 6.516 ( -1.478 -5.028 -2.460) 5.789 6.700 ( 1.097 3.489 -0.468) 3.687 7.248 ( -0.719 0.714 -0.981) 1.410 7.379 ( -0.545 0.432 0.033) 0.696 ======================= Grid point 23 (16/477) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -3.941 13.056 0.175) 13.639 2.387 ( 3.786 -13.616 -0.117) 14.133 3.063 ( 0.640 -2.023 0.748) 2.250 3.172 ( -0.559 -0.311 -0.785) 1.013 3.787 ( 1.477 -1.727 0.370) 2.302 4.024 ( -1.446 -1.082 -0.507) 1.876 4.984 ( 0.781 0.822 0.807) 1.392 5.162 ( -0.851 -0.104 -0.667) 1.086 5.682 ( -1.484 -3.783 0.339) 4.078 5.726 ( 1.316 1.479 -0.449) 2.030 5.908 ( 0.039 -4.016 -0.019) 4.016 5.913 ( 0.214 4.538 0.153) 4.546 6.385 ( -0.271 -0.506 -0.140) 0.590 6.464 ( 0.418 0.033 0.207) 0.468 6.591 ( -0.480 -2.827 -0.186) 2.874 6.651 ( 0.276 1.716 0.083) 1.740 7.245 ( -0.087 -0.851 -0.114) 0.863 7.378 ( 0.118 -0.373 0.142) 0.416 ======================= Grid point 24 (17/477) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -4.073 16.668 0.815) 17.178 2.638 ( 3.492 -8.292 1.206) 9.077 2.808 ( 1.575 19.415 0.515) 19.485 3.264 ( 0.661 0.120 1.267) 1.434 3.876 ( -0.265 -4.534 7.306) 8.603 4.048 ( 2.364 -2.118 -4.707) 5.678 4.952 ( -0.558 2.973 0.523) 3.070 5.153 ( -0.544 -0.040 -0.618) 0.824 5.664 ( 2.244 4.138 0.452) 4.728 5.725 ( -1.370 0.444 3.071) 3.392 5.822 ( -0.826 3.630 0.563) 3.765 6.006 ( 0.166 -4.582 -0.266) 4.593 6.390 ( 1.015 0.355 -1.600) 1.928 6.468 ( 0.368 -0.245 0.776) 0.893 6.580 ( 1.342 3.213 1.930) 3.981 6.676 ( -1.278 -3.896 0.272) 4.109 7.277 ( 0.611 -1.943 0.782) 2.181 7.391 ( 0.414 -0.558 0.007) 0.695 ======================= Grid point 25 (18/477) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -3.562 17.529 0.892) 17.910 2.390 ( 1.049 23.867 1.564) 23.942 2.735 ( 2.954 1.159 1.293) 3.427 3.151 ( 1.176 12.155 1.913) 12.360 3.917 ( -0.243 3.773 4.532) 5.902 4.130 ( 3.794 -5.940 -1.912) 7.303 4.865 ( -1.978 5.010 -0.206) 5.390 5.167 ( 0.143 -1.518 -0.031) 1.525 5.605 ( 2.370 2.800 0.367) 3.687 5.689 ( 0.369 3.310 2.478) 4.151 5.761 ( -2.689 2.422 1.694) 3.995 6.067 ( 0.328 -1.231 0.152) 1.283 6.361 ( 0.896 2.529 -1.208) 2.943 6.466 ( 0.210 1.903 2.159) 2.885 6.563 ( 1.962 -1.434 0.310) 2.450 6.765 ( -1.086 -5.411 1.065) 5.620 7.325 ( 1.028 -2.086 1.198) 2.616 7.401 ( 0.000 -0.489 -0.586) 0.764 ======================= Grid point 26 (19/477) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -2.957 17.803 0.757) 18.063 1.907 ( 0.448 26.343 1.181) 26.373 2.626 ( 1.643 13.790 1.369) 13.955 2.848 ( 1.357 17.051 0.937) 17.131 3.769 ( 0.597 11.656 1.451) 11.761 4.280 ( 2.745 -7.302 -0.267) 7.805 4.750 ( -2.303 4.998 -0.430) 5.520 5.194 ( 0.572 -0.515 0.221) 0.801 5.591 ( 2.695 0.655 -0.727) 2.867 5.623 ( -0.135 4.575 2.385) 5.162 5.711 ( -2.456 1.163 1.572) 3.139 6.060 ( 0.449 1.718 0.069) 1.777 6.308 ( 0.365 2.771 -0.529) 2.845 6.437 ( 0.149 1.174 2.236) 2.530 6.638 ( 1.424 -4.448 -0.482) 4.695 6.864 ( -0.706 -4.434 1.019) 4.604 7.371 ( 1.337 -1.181 1.101) 2.096 7.411 ( -0.877 -1.306 -1.115) 1.928 ======================= Grid point 27 (20/477) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -2.046 17.977 0.401) 18.098 1.388 ( -0.262 26.977 0.562) 26.984 2.148 ( 0.326 32.757 0.420) 32.762 2.643 ( 1.255 6.651 -0.122) 6.769 3.511 ( 0.272 14.470 0.232) 14.475 4.424 ( 1.446 -5.970 -0.483) 6.162 4.651 ( -1.499 3.897 -0.176) 4.179 5.200 ( 0.632 -0.086 -0.005) 0.638 5.502 ( 1.154 8.006 -0.583) 8.110 5.570 ( 0.036 3.878 2.430) 4.576 5.726 ( -0.989 -3.606 0.131) 3.742 6.043 ( 0.487 -0.733 -0.571) 1.049 6.264 ( -0.337 1.256 0.244) 1.323 6.442 ( 0.174 -0.914 0.949) 1.329 6.731 ( 0.696 -4.270 -0.249) 4.333 6.924 ( -0.395 -1.590 0.430) 1.693 7.383 ( 0.570 0.422 0.114) 0.719 7.437 ( -0.588 -1.595 -0.487) 1.769 ======================= Grid point 28 (21/477) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 17.320 -0.000) 17.320 0.876 ( 0.000 25.074 -0.000) 25.074 1.454 ( 0.000 37.378 -0.000) 37.378 2.557 ( 0.000 2.846 -0.000) 2.846 3.246 ( 0.000 12.062 -0.000) 12.062 4.518 ( -0.000 -3.353 0.000) 3.353 4.578 ( 0.000 3.104 -0.000) 3.104 5.212 ( -0.000 -0.919 0.000) 0.919 5.329 ( 0.000 9.396 -0.000) 9.396 5.463 ( 0.000 6.904 -0.000) 6.904 5.826 ( -0.000 -6.083 0.000) 6.083 6.093 ( -0.000 -3.653 0.000) 3.653 6.277 ( -0.000 -3.376 0.000) 3.376 6.474 ( -0.000 -2.087 0.000) 2.087 6.803 ( -0.000 -2.854 0.000) 2.854 6.919 ( 0.000 2.127 -0.000) 2.127 7.368 ( 0.000 1.230 -0.000) 1.230 7.448 ( 0.000 0.330 -0.000) 0.330 ======================= Grid point 31 (22/477) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 6.644 -0.000 12.330) 14.006 0.392 ( 12.677 -0.000 5.799) 13.940 0.484 ( 17.619 -0.000 4.153) 18.102 2.538 ( -1.130 0.000 4.301) 4.447 3.012 ( 0.050 -0.000 2.146) 2.147 4.395 ( 1.239 -0.000 0.081) 1.242 4.565 ( -1.073 0.000 0.754) 1.312 4.762 ( 3.952 -0.000 -3.634) 5.369 5.105 ( -0.117 0.000 1.194) 1.200 5.264 ( 1.006 -0.000 -2.016) 2.253 5.950 ( -3.464 0.000 6.503) 7.368 6.189 ( 0.689 -0.000 -1.197) 1.381 6.561 ( 0.897 -0.000 2.228) 2.402 6.668 ( 2.817 -0.000 -2.112) 3.521 6.675 ( 1.237 -0.000 1.414) 1.878 6.844 ( -2.136 0.000 2.850) 3.562 7.329 ( -0.642 0.000 1.802) 1.913 7.472 ( 3.713 -0.000 0.101) 3.714 ======================= Grid point 32 (23/477) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 9.446 -5.295 5.762) 12.267 0.643 ( 12.576 -12.514 -0.054) 17.742 0.844 ( 4.117 -28.154 5.030) 28.895 2.518 ( -2.881 1.787 5.442) 6.411 3.086 ( -0.553 -6.287 2.989) 6.983 4.532 ( -0.458 -0.372 -1.145) 1.289 4.603 ( -0.898 -6.149 5.500) 8.299 4.861 ( -4.428 -11.481 -7.016) 14.165 5.170 ( -1.066 -5.004 1.400) 5.305 5.276 ( 1.703 -2.126 -3.081) 4.113 5.938 ( 0.124 1.112 2.094) 2.375 6.161 ( 0.098 3.004 0.021) 3.005 6.462 ( 1.328 10.711 0.707) 10.817 6.538 ( 1.100 4.247 0.766) 4.454 6.798 ( -0.484 -0.742 -1.297) 1.571 6.882 ( -0.014 -4.461 2.788) 5.261 7.344 ( -0.696 -1.031 1.747) 2.144 7.499 ( 3.325 -0.449 1.513) 3.680 ======================= Grid point 33 (24/477) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 7.135 -10.528 0.826) 12.745 1.001 ( 7.682 -18.062 -0.934) 19.649 1.472 ( 0.123 -32.640 0.592) 32.645 2.493 ( -4.553 -0.346 3.754) 5.912 3.250 ( -0.948 -9.971 1.323) 10.103 4.465 ( -3.471 4.990 1.487) 6.257 4.710 ( 4.440 -2.888 3.118) 6.146 5.050 ( -5.739 -10.479 -4.922) 12.921 5.245 ( -3.679 -4.650 2.447) 6.414 5.377 ( 2.560 -7.226 -6.235) 9.882 5.906 ( 3.431 4.724 -0.319) 5.847 6.082 ( -2.407 3.817 4.472) 6.353 6.311 ( 2.351 4.697 -2.850) 5.975 6.448 ( -0.262 4.555 -1.229) 4.725 6.760 ( -2.089 2.900 0.507) 3.610 6.947 ( 1.060 -0.914 -0.261) 1.424 7.357 ( -0.948 -0.158 1.049) 1.423 7.522 ( 2.380 0.821 1.878) 3.141 ======================= Grid point 34 (25/477) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 4.852 -15.371 -2.584) 16.324 1.417 ( 3.491 -21.537 -1.125) 21.847 2.078 ( -1.690 -29.003 -2.650) 29.173 2.524 ( -4.780 -5.575 0.556) 7.365 3.460 ( -1.528 -11.907 -1.430) 12.090 4.321 ( -4.276 7.696 1.082) 8.871 4.803 ( 4.589 -3.155 1.955) 5.902 5.134 ( -2.099 -2.468 -1.059) 3.409 5.359 ( -5.970 -8.075 -0.151) 10.043 5.490 ( 1.802 -4.431 -6.994) 8.473 5.808 ( 3.357 4.636 -0.790) 5.779 6.041 ( -1.343 1.244 3.127) 3.624 6.278 ( 0.836 -0.238 -0.934) 1.276 6.372 ( -0.339 1.653 -4.132) 4.464 6.675 ( -2.668 4.492 1.038) 5.327 6.934 ( 1.173 2.281 -1.648) 3.049 7.343 ( -1.290 1.103 0.179) 1.707 7.499 ( 1.279 2.966 1.199) 3.445 ======================= Grid point 35 (26/477) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 3.900 -17.496 -3.216) 18.212 1.864 ( 0.757 -23.318 -1.441) 23.374 2.460 ( -4.063 -11.248 -3.449) 12.447 2.728 ( -2.622 -18.304 -2.481) 18.657 3.671 ( -1.508 -10.967 -3.706) 11.674 4.140 ( -4.542 8.060 0.586) 9.270 4.893 ( 3.926 -2.994 1.206) 5.083 5.152 ( -1.174 -0.802 -0.397) 1.476 5.440 ( -4.773 -3.520 -1.314) 6.074 5.533 ( -0.781 -2.854 -4.674) 5.532 5.800 ( 4.402 -1.195 -2.655) 5.278 6.035 ( -0.699 -0.868 0.155) 1.126 6.287 ( -2.005 -1.020 1.044) 2.480 6.371 ( 1.260 -2.353 -4.367) 5.118 6.570 ( -2.965 4.818 1.384) 5.824 6.870 ( 1.208 4.182 -1.914) 4.755 7.306 ( -1.259 1.785 -0.609) 2.268 7.442 ( 0.080 3.088 0.506) 3.131 ======================= Grid point 36 (27/477) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 3.653 -18.189 -2.410) 18.709 2.316 ( -0.280 -23.246 -1.645) 23.306 2.550 ( -4.404 -2.269 -2.026) 5.352 3.038 ( -1.744 -13.586 -2.947) 14.011 3.818 ( 2.046 -4.584 -7.809) 9.283 3.989 ( -6.650 3.574 3.638) 8.381 4.965 ( 3.084 -1.926 0.463) 3.665 5.150 ( -1.231 0.154 0.116) 1.246 5.477 ( -3.262 -4.098 -1.347) 5.408 5.589 ( -0.998 -4.983 -3.960) 6.443 5.845 ( 3.824 -1.232 -2.254) 4.607 6.048 ( -0.486 0.194 -0.103) 0.533 6.329 ( -2.042 -4.274 0.493) 4.763 6.419 ( 1.099 -2.710 -2.764) 4.024 6.476 ( -2.698 2.984 0.980) 4.141 6.784 ( 1.117 4.532 -1.258) 4.835 7.262 ( -0.889 1.566 -1.012) 2.066 7.394 ( -0.694 1.656 0.102) 1.798 ======================= Grid point 37 (28/477) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 3.497 -17.574 -1.244) 17.961 2.473 ( -3.546 7.224 -0.955) 8.104 2.749 ( -0.855 -21.071 -0.078) 21.089 3.199 ( -0.926 -3.922 -1.667) 4.361 3.801 ( 3.790 2.611 -6.536) 7.994 3.977 ( -5.803 -2.505 3.517) 7.233 5.003 ( 2.324 -0.173 0.967) 2.523 5.144 ( -1.553 -0.538 -0.651) 1.768 5.563 ( -2.092 -6.264 -0.895) 6.664 5.683 ( -0.007 -5.413 -2.514) 5.968 5.868 ( 2.083 -0.218 -0.918) 2.287 6.007 ( -0.147 3.710 0.336) 3.728 6.375 ( -1.436 -0.233 1.617) 2.175 6.459 ( 0.135 -1.011 -0.032) 1.020 6.486 ( -0.872 -5.705 -2.371) 6.240 6.707 ( 0.751 3.406 -0.399) 3.511 7.235 ( -0.554 0.359 -0.787) 1.027 7.374 ( -0.450 0.101 0.044) 0.463 ======================= Grid point 38 (29/477) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -2.934 13.789 0.142) 14.098 2.424 ( 2.739 -14.832 -0.067) 15.083 3.080 ( 1.110 -4.203 1.327) 4.545 3.156 ( -1.007 0.041 -1.374) 1.704 3.813 ( 2.364 -3.270 0.615) 4.081 3.997 ( -2.327 -1.799 -0.785) 3.044 5.003 ( 1.256 1.736 1.251) 2.481 5.143 ( -1.342 -0.433 -1.077) 1.775 5.668 ( -1.195 -4.925 0.235) 5.074 5.736 ( 0.983 0.687 -0.370) 1.255 5.909 ( 0.112 -4.093 0.025) 4.095 5.917 ( 0.207 5.114 0.138) 5.120 6.380 ( -0.307 -0.841 -0.157) 0.909 6.471 ( 0.540 -0.025 0.264) 0.602 6.583 ( -0.607 -4.343 -0.244) 4.392 6.656 ( 0.305 2.348 0.093) 2.369 7.243 ( -0.105 -1.515 -0.137) 1.525 7.381 ( 0.144 -0.686 0.172) 0.721 ======================= Grid point 39 (30/477) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -2.302 16.698 0.418) 16.861 2.676 ( 1.936 -8.644 0.716) 8.887 2.825 ( 0.919 19.205 0.301) 19.229 3.276 ( 0.334 -0.921 0.655) 1.178 3.918 ( 0.181 -4.105 5.681) 7.011 4.037 ( 1.011 -4.041 -4.291) 5.980 4.951 ( -0.188 4.214 0.457) 4.243 5.143 ( -0.488 -0.659 -0.469) 0.945 5.687 ( 1.524 3.739 -0.063) 4.038 5.726 ( -1.258 -0.695 1.978) 2.445 5.819 ( -0.227 4.477 0.318) 4.494 6.006 ( 0.098 -4.745 -0.146) 4.749 6.390 ( 0.447 0.225 -0.812) 0.954 6.477 ( 0.436 -0.361 0.379) 0.681 6.602 ( 0.764 2.723 1.144) 3.051 6.665 ( -0.835 -4.237 0.082) 4.320 7.286 ( 0.342 -2.526 0.432) 2.585 7.394 ( 0.226 -0.393 0.010) 0.454 ======================= Grid point 40 (31/477) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -1.307 17.640 0.293) 17.691 2.406 ( 0.393 23.863 0.566) 23.873 2.764 ( 1.051 1.023 0.455) 1.535 3.169 ( 0.420 11.898 0.677) 11.924 3.935 ( -0.053 4.158 1.604) 4.457 4.151 ( 1.368 -6.986 -0.683) 7.151 4.848 ( -0.752 5.767 -0.071) 5.816 5.168 ( 0.036 -1.922 -0.003) 1.922 5.626 ( 0.949 2.611 0.036) 2.779 5.702 ( 0.045 2.950 0.929) 3.093 5.747 ( -0.988 2.854 0.615) 3.082 6.070 ( 0.116 -1.415 0.058) 1.421 6.363 ( 0.283 2.452 -0.409) 2.502 6.478 ( 0.151 1.478 0.696) 1.641 6.581 ( 0.707 -1.117 0.177) 1.333 6.761 ( -0.416 -5.614 0.399) 5.644 7.340 ( 0.449 -2.506 0.547) 2.604 7.397 ( -0.087 0.057 -0.331) 0.347 ======================= Grid point 41 (32/477) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 0.000 17.969 -0.000) 17.969 1.914 ( 0.000 26.513 -0.000) 26.513 2.640 ( 0.000 14.074 -0.000) 14.074 2.859 ( 0.000 16.865 -0.000) 16.865 3.777 ( 0.000 11.729 -0.000) 11.729 4.296 ( -0.000 -7.299 0.000) 7.299 4.735 ( 0.000 5.226 -0.000) 5.226 5.198 ( -0.000 -0.675 0.000) 0.675 5.605 ( 0.000 0.332 -0.000) 0.332 5.630 ( 0.000 4.865 -0.000) 4.865 5.701 ( 0.000 1.111 -0.000) 1.111 6.063 ( 0.000 1.730 -0.000) 1.730 6.308 ( 0.000 2.859 -0.000) 2.859 6.445 ( 0.000 1.142 -0.000) 1.142 6.645 ( -0.000 -4.392 0.000) 4.392 6.863 ( -0.000 -4.451 0.000) 4.451 7.392 ( 0.000 0.262 -0.000) 0.262 7.392 ( -0.000 -2.531 0.000) 2.531 ======================= Grid point 46 (33/477) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 5.599 -0.000 10.381) 11.795 0.560 ( 10.770 -0.000 5.014) 11.880 0.696 ( 15.496 -0.000 3.343) 15.852 2.554 ( -1.482 0.000 5.298) 5.501 3.028 ( 0.074 -0.000 2.626) 2.627 4.412 ( 1.478 -0.000 0.084) 1.480 4.556 ( -1.552 0.000 1.201) 1.962 4.787 ( 2.404 -0.000 0.128) 2.408 5.112 ( -0.091 0.000 1.526) 1.528 5.263 ( 1.435 -0.000 -2.887) 3.224 5.953 ( -2.289 0.000 4.730) 5.254 6.188 ( 0.876 -0.000 -1.853) 2.049 6.590 ( 1.161 -0.000 2.932) 3.153 6.689 ( 4.215 -0.000 -3.814) 5.684 6.700 ( 1.499 -0.000 1.621) 2.208 6.837 ( -3.145 0.000 4.314) 5.339 7.334 ( -0.718 0.000 2.286) 2.396 7.520 ( 3.913 -0.000 1.339) 4.136 ======================= Grid point 47 (34/477) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 8.178 -4.368 4.889) 10.481 0.780 ( 9.229 -11.457 3.390) 15.098 0.924 ( 6.087 -20.851 1.906) 21.805 2.522 ( -2.675 3.158 5.640) 6.996 3.098 ( -0.525 -5.820 2.696) 6.435 4.516 ( -1.592 0.640 -0.117) 1.720 4.616 ( -1.375 -11.662 2.342) 11.974 4.814 ( 0.498 -3.207 -1.632) 3.633 5.169 ( -1.114 -4.164 2.073) 4.783 5.275 ( 2.068 -2.100 -4.156) 5.096 5.954 ( -0.033 0.119 2.773) 2.776 6.162 ( 0.359 2.769 -0.661) 2.870 6.482 ( 1.747 11.210 -0.088) 11.346 6.557 ( 1.202 5.680 1.061) 5.902 6.785 ( -0.632 0.253 -0.679) 0.961 6.898 ( 0.033 -4.703 2.411) 5.285 7.348 ( -0.688 -0.758 1.931) 2.185 7.549 ( 3.424 -0.102 1.940) 3.936 ======================= Grid point 48 (35/477) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 5.478 -7.536 1.293) 9.406 1.087 ( 7.839 -15.251 -0.311) 17.150 1.474 ( 0.024 -30.277 -0.330) 30.279 2.468 ( -4.029 1.311 3.733) 5.647 3.246 ( -1.058 -8.944 0.907) 9.052 4.435 ( -3.345 5.531 1.173) 6.570 4.779 ( 3.943 -3.092 3.294) 5.996 4.963 ( -4.202 -12.233 -4.300) 13.631 5.224 ( -2.823 -2.512 2.631) 4.604 5.367 ( 2.548 -6.621 -6.067) 9.335 5.942 ( 2.845 4.275 0.256) 5.142 6.087 ( -1.903 3.712 4.540) 6.165 6.314 ( 1.986 5.015 -3.841) 6.622 6.439 ( -0.181 6.108 -0.668) 6.147 6.741 ( -1.891 3.157 0.560) 3.722 6.956 ( 0.841 -0.500 -0.275) 1.016 7.354 ( -0.859 0.346 1.020) 1.378 7.560 ( 2.272 1.624 1.806) 3.326 ======================= Grid point 49 (36/477) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 2.944 -14.296 -2.575) 14.822 1.456 ( 4.091 -19.168 -0.435) 19.605 2.041 ( -1.661 -27.375 -2.779) 27.566 2.476 ( -4.046 -4.841 0.520) 6.331 3.433 ( -1.479 -10.882 -1.468) 11.080 4.282 ( -3.571 8.151 0.802) 8.935 4.864 ( 3.868 -2.801 1.878) 5.131 5.103 ( -1.844 -4.269 -1.385) 4.852 5.297 ( -4.671 -6.634 -0.084) 8.113 5.467 ( 1.386 -3.540 -5.823) 6.954 5.839 ( 2.799 4.670 -0.650) 5.483 6.048 ( -1.038 1.782 2.976) 3.621 6.281 ( 0.554 -0.216 -0.673) 0.898 6.343 ( -0.171 1.923 -3.976) 4.420 6.653 ( -2.325 4.664 0.969) 5.301 6.936 ( 0.923 2.458 -1.403) 2.977 7.331 ( -1.071 1.515 0.203) 1.866 7.519 ( 1.039 3.836 0.961) 4.089 ======================= Grid point 50 (37/477) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 2.082 -17.972 -3.189) 18.371 1.871 ( 1.433 -21.764 -0.609) 21.819 2.397 ( -3.330 -10.610 -2.948) 11.504 2.687 ( -2.040 -18.434 -2.086) 18.664 3.633 ( -1.270 -10.780 -3.116) 11.293 4.097 ( -3.456 8.444 0.483) 9.136 4.941 ( 3.247 -2.495 1.006) 4.217 5.137 ( -1.080 -1.020 -0.281) 1.512 5.382 ( -3.873 -4.227 -1.277) 5.873 5.496 ( -0.745 -2.303 -3.916) 4.604 5.830 ( 3.493 -1.295 -2.043) 4.249 6.030 ( -0.499 -0.397 0.155) 0.656 6.270 ( -1.708 -0.227 0.349) 1.758 6.362 ( 1.227 -3.079 -2.907) 4.409 6.548 ( -2.412 4.907 1.222) 5.602 6.871 ( 0.896 4.077 -1.464) 4.424 7.290 ( -0.926 1.920 -0.394) 2.168 7.445 ( -0.050 3.791 0.290) 3.802 ======================= Grid point 51 (38/477) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 2.041 -18.987 -2.010) 19.202 2.309 ( 0.292 -22.708 -0.927) 22.729 2.496 ( -3.096 -2.655 -1.413) 4.316 3.005 ( -1.231 -13.943 -2.083) 14.152 3.797 ( 2.247 -6.405 -6.225) 9.210 3.942 ( -5.414 4.642 3.252) 7.838 5.002 ( 2.837 -1.730 0.456) 3.354 5.134 ( -1.611 0.466 -0.027) 1.677 5.437 ( -2.352 -4.618 -1.013) 5.280 5.557 ( -0.739 -5.528 -2.823) 6.251 5.871 ( 2.725 -1.006 -1.578) 3.306 6.042 ( -0.344 -0.062 -0.042) 0.352 6.310 ( -1.370 -4.882 -0.226) 5.076 6.418 ( 0.983 -2.280 -1.403) 2.852 6.455 ( -2.044 2.935 0.854) 3.677 6.787 ( 0.714 4.367 -0.839) 4.504 7.249 ( -0.544 1.539 -0.645) 1.755 7.387 ( -0.567 1.826 0.014) 1.912 ======================= Grid point 52 (39/477) ======================= q-point: ( 0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 1.823 -18.153 -0.765) 18.260 2.436 ( -1.977 7.043 -0.507) 7.332 2.742 ( -0.324 -21.374 0.049) 21.376 3.182 ( -0.551 -4.592 -0.980) 4.727 3.810 ( 3.788 2.138 -4.624) 6.348 3.935 ( -4.910 -3.494 2.896) 6.686 5.039 ( 2.664 0.177 1.342) 2.988 5.116 ( -2.258 -0.485 -1.156) 2.582 5.539 ( -1.188 -6.795 -0.512) 6.917 5.670 ( -0.060 -6.298 -1.352) 6.442 5.883 ( 1.244 0.260 -0.561) 1.389 6.007 ( -0.087 3.486 0.205) 3.493 6.370 ( -0.789 -0.042 0.862) 1.169 6.459 ( -0.717 -3.601 0.845) 3.768 6.468 ( 0.338 -4.041 -2.115) 4.574 6.712 ( 0.374 3.371 -0.229) 3.400 7.226 ( -0.297 0.183 -0.437) 0.559 7.370 ( -0.255 -0.213 0.031) 0.334 ======================= Grid point 53 (40/477) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -1.064 13.891 0.054) 13.932 2.445 ( 0.976 -15.226 -0.020) 15.258 3.103 ( 1.173 -8.886 1.455) 9.081 3.134 ( -1.126 3.740 -1.477) 4.176 3.841 ( 1.521 -4.474 0.412) 4.744 3.968 ( -1.504 -1.854 -0.487) 2.437 5.023 ( 0.794 2.747 0.762) 2.959 5.123 ( -0.833 -1.113 -0.685) 1.550 5.660 ( -0.441 -5.399 0.079) 5.418 5.742 ( 0.346 0.035 -0.137) 0.374 5.910 ( 0.060 -3.863 0.018) 3.864 5.919 ( 0.083 5.210 0.053) 5.211 6.377 ( -0.129 -0.998 -0.065) 1.009 6.478 ( 0.257 -0.082 0.124) 0.297 6.576 ( -0.285 -4.889 -0.118) 4.899 6.659 ( 0.126 2.394 0.039) 2.398 7.241 ( -0.046 -1.873 -0.059) 1.875 7.383 ( 0.063 -0.867 0.075) 0.873 ======================= Grid point 54 (41/477) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.000 16.721 -0.000) 16.721 2.689 ( -0.000 -8.795 0.000) 8.795 2.831 ( 0.000 19.168 -0.000) 19.168 3.280 ( -0.000 -1.312 0.000) 1.312 3.941 ( -0.000 -3.373 0.000) 3.373 4.026 ( -0.000 -5.313 0.000) 5.313 4.952 ( 0.000 4.767 -0.000) 4.767 5.139 ( -0.000 -0.975 0.000) 0.975 5.696 ( 0.000 3.702 -0.000) 3.702 5.725 ( -0.000 -1.122 0.000) 1.122 5.819 ( 0.000 4.705 -0.000) 4.705 6.007 ( -0.000 -4.801 0.000) 4.801 6.390 ( 0.000 0.167 -0.000) 0.167 6.481 ( -0.000 -0.387 0.000) 0.387 6.610 ( 0.000 2.639 -0.000) 2.639 6.660 ( -0.000 -4.469 0.000) 4.469 7.289 ( -0.000 -2.760 0.000) 2.760 7.396 ( -0.000 -0.304 0.000) 0.304 ======================= Grid point 61 (42/477) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 4.317 -0.000 8.000) 9.091 0.697 ( 8.400 -0.000 3.977) 9.294 0.874 ( 12.546 -0.000 2.439) 12.781 2.571 ( -1.564 0.000 5.237) 5.465 3.046 ( 0.087 -0.000 2.572) 2.573 4.429 ( 1.406 -0.000 0.070) 1.408 4.546 ( -1.791 0.000 1.372) 2.256 4.817 ( 1.711 -0.000 1.930) 2.579 5.122 ( -0.034 0.000 1.559) 1.559 5.259 ( 1.468 -0.000 -3.448) 3.748 5.959 ( -1.431 0.000 3.981) 4.231 6.184 ( 0.747 -0.000 -2.376) 2.491 6.623 ( 1.212 -0.000 3.134) 3.360 6.714 ( 5.145 -0.000 -5.168) 7.292 6.727 ( 1.448 -0.000 1.433) 2.037 6.828 ( -4.048 0.000 5.630) 6.934 7.341 ( -0.630 0.000 2.326) 2.410 7.574 ( 3.646 -0.000 1.758) 4.048 ======================= Grid point 62 (43/477) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 6.962 -3.777 3.187) 8.537 0.886 ( 3.357 -14.657 7.041) 16.604 1.003 ( 7.941 -11.685 -2.177) 14.294 2.528 ( -2.218 4.205 4.913) 6.837 3.108 ( -0.412 -5.173 2.066) 5.585 4.496 ( -1.835 1.421 0.170) 2.327 4.609 ( -0.983 -12.302 0.426) 12.348 4.831 ( 1.757 -0.312 1.496) 2.329 5.172 ( -1.033 -3.587 2.854) 4.698 5.269 ( 1.962 -2.023 -5.082) 5.811 5.972 ( 0.011 -0.677 3.019) 3.094 6.160 ( 0.384 2.259 -1.308) 2.638 6.500 ( 1.771 12.326 -0.439) 12.460 6.577 ( 0.987 6.738 1.179) 6.911 6.775 ( -0.640 0.936 -0.174) 1.147 6.913 ( 0.066 -4.671 1.850) 5.024 7.352 ( -0.556 -0.460 1.729) 1.874 7.598 ( 2.953 0.275 1.856) 3.499 ======================= Grid point 63 (44/477) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 3.831 -4.702 1.369) 6.217 1.167 ( 6.134 -13.338 0.396) 14.686 1.468 ( -0.109 -28.462 -1.163) 28.486 2.449 ( -2.979 2.776 3.014) 5.066 3.239 ( -0.896 -8.028 0.452) 8.090 4.407 ( -2.625 5.900 0.776) 6.504 4.836 ( 2.513 -4.597 2.382) 5.755 4.904 ( -2.151 -10.793 -2.715) 11.335 5.214 ( -2.093 -1.103 2.908) 3.749 5.356 ( 2.142 -6.447 -5.580) 8.792 5.972 ( 2.012 4.105 0.520) 4.601 6.097 ( -1.211 3.306 3.951) 5.292 6.307 ( 1.276 5.472 -3.999) 6.897 6.435 ( -0.035 7.468 -0.119) 7.469 6.725 ( -1.416 3.441 0.496) 3.753 6.962 ( 0.574 -0.162 -0.214) 0.634 7.351 ( -0.644 0.780 0.794) 1.287 7.594 ( 1.766 2.377 1.407) 3.278 ======================= Grid point 64 (45/477) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 1.462 -12.994 -1.835) 13.204 1.498 ( 3.211 -17.608 -0.009) 17.898 2.008 ( -1.247 -26.120 -2.192) 26.242 2.441 ( -2.675 -4.189 0.375) 4.984 3.410 ( -1.076 -10.085 -1.124) 10.205 4.252 ( -2.360 8.433 0.485) 8.770 4.911 ( 2.542 -2.664 1.234) 3.884 5.077 ( -1.296 -5.882 -1.177) 6.137 5.255 ( -2.902 -4.733 0.349) 5.563 5.449 ( 0.927 -2.752 -4.055) 4.988 5.862 ( 1.856 4.625 -0.392) 4.999 6.054 ( -0.679 2.408 2.155) 3.302 6.283 ( 0.274 -0.782 -0.159) 0.843 6.318 ( -0.026 2.458 -3.165) 4.008 6.636 ( -1.585 4.831 0.703) 5.133 6.937 ( 0.580 2.577 -0.931) 2.801 7.322 ( -0.705 1.812 0.155) 1.950 7.534 ( 0.674 4.565 0.615) 4.656 ======================= Grid point 65 (46/477) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.759 -18.320 -2.000) 18.445 1.884 ( 1.116 -20.674 -0.119) 20.704 2.352 ( -1.871 -10.242 -1.729) 10.555 2.658 ( -1.118 -18.450 -1.192) 18.522 3.605 ( -0.731 -10.666 -1.787) 10.840 4.069 ( -1.865 8.727 0.275) 8.928 4.977 ( 1.961 -2.366 0.565) 3.124 5.125 ( -0.747 -0.975 -0.138) 1.236 5.340 ( -2.174 -4.558 -0.743) 5.104 5.469 ( -0.465 -1.918 -2.264) 3.003 5.851 ( 1.949 -1.398 -1.106) 2.641 6.026 ( -0.265 -0.070 0.086) 0.287 6.256 ( -0.939 0.214 0.016) 0.963 6.360 ( 0.728 -3.544 -1.409) 3.883 6.532 ( -1.376 4.991 0.734) 5.229 6.872 ( 0.472 4.004 -0.789) 4.108 7.280 ( -0.488 1.990 -0.190) 2.058 7.445 ( -0.064 4.299 0.126) 4.301 ======================= Grid point 66 (47/477) ======================= q-point: ( 0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 0.620 -19.564 -0.791) 19.590 2.308 ( 0.219 -22.335 -0.289) 22.338 2.465 ( -1.119 -2.875 -0.501) 3.125 2.986 ( -0.446 -14.131 -0.753) 14.158 3.789 ( 1.095 -8.257 -2.528) 8.705 3.912 ( -2.225 6.093 1.449) 6.647 5.031 ( 1.491 -2.218 0.246) 2.684 5.116 ( -1.060 1.262 -0.090) 1.651 5.414 ( -0.860 -4.932 -0.375) 5.020 5.538 ( -0.273 -5.865 -1.021) 5.959 5.885 ( 0.994 -0.884 -0.571) 1.447 6.040 ( -0.127 -0.198 -0.008) 0.235 6.298 ( -0.477 -5.121 -0.173) 5.146 6.422 ( 0.646 -2.469 -0.508) 2.602 6.442 ( -1.025 3.244 0.429) 3.429 6.789 ( 0.244 4.287 -0.294) 4.304 7.242 ( -0.180 1.530 -0.221) 1.556 7.382 ( -0.219 1.906 -0.004) 1.919 ======================= Grid point 67 (48/477) ======================= q-point: ( 0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -0.000 -18.409 0.000) 18.409 2.423 ( 0.000 6.983 -0.000) 6.983 2.741 ( -0.000 -21.460 0.000) 21.460 3.176 ( -0.000 -4.815 0.000) 4.815 3.819 ( 0.000 2.291 -0.000) 2.291 3.913 ( -0.000 -4.173 0.000) 4.173 5.074 ( 0.000 2.162 -0.000) 2.162 5.083 ( -0.000 -2.333 0.000) 2.333 5.531 ( -0.000 -6.991 0.000) 6.991 5.666 ( -0.000 -6.604 0.000) 6.604 5.888 ( 0.000 0.419 -0.000) 0.419 6.007 ( 0.000 3.403 -0.000) 3.403 6.369 ( 0.000 0.045 -0.000) 0.045 6.456 ( -0.000 -6.528 0.000) 6.528 6.465 ( -0.000 -1.457 0.000) 1.457 6.713 ( 0.000 3.362 -0.000) 3.362 7.223 ( 0.000 0.134 -0.000) 0.134 7.368 ( -0.000 -0.342 0.000) 0.342 ======================= Grid point 77 (49/477) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 2.912 -0.000 5.395) 6.131 0.799 ( 5.736 -0.000 2.750) 6.361 1.009 ( 8.855 -0.000 1.555) 8.990 2.585 ( -1.315 0.000 4.163) 4.366 3.062 ( 0.079 -0.000 2.024) 2.025 4.443 ( 1.078 -0.000 0.049) 1.079 4.534 ( -1.603 0.000 1.168) 1.983 4.848 ( 1.273 -0.000 2.446) 2.758 5.131 ( 0.011 -0.000 1.270) 1.270 5.252 ( 1.072 -0.000 -3.341) 3.508 5.971 ( -0.644 0.000 3.338) 3.399 6.175 ( 0.398 -0.000 -2.466) 2.498 6.655 ( 1.014 -0.000 2.705) 2.889 6.739 ( 5.631 -0.000 -6.145) 8.334 6.750 ( 1.120 -0.000 0.967) 1.480 6.817 ( -4.758 0.000 6.556) 8.100 7.349 ( -0.445 0.000 1.893) 1.944 7.622 ( 2.822 -0.000 1.558) 3.223 ======================= Grid point 78 (50/477) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 5.301 -3.242 1.228) 6.334 0.946 ( -0.456 -18.083 6.869) 19.349 1.071 ( 6.658 -4.643 -3.027) 8.663 2.534 ( -1.485 4.891 3.358) 6.116 3.115 ( -0.259 -4.564 1.270) 4.745 4.478 ( -1.398 2.031 0.170) 2.472 4.603 ( -0.391 -11.161 0.058) 11.168 4.861 ( 1.325 -0.061 1.765) 2.207 5.183 ( -0.857 -3.623 3.769) 5.298 5.254 ( 1.513 -1.659 -5.516) 5.955 5.992 ( 0.140 -1.135 2.571) 2.813 6.154 ( 0.204 1.649 -1.490) 2.232 6.515 ( 1.330 13.603 -0.417) 13.674 6.593 ( 0.606 7.309 0.946) 7.395 6.769 ( -0.472 1.353 0.075) 1.435 6.923 ( 0.063 -4.553 1.159) 4.699 7.357 ( -0.353 -0.198 1.190) 1.257 7.637 ( 1.993 0.598 1.319) 2.463 ======================= Grid point 79 (51/477) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 2.029 -2.674 0.890) 3.473 1.225 ( 3.337 -12.045 0.641) 12.515 1.459 ( -0.162 -27.587 -1.177) 27.613 2.439 ( -1.582 3.758 1.691) 4.414 3.233 ( -0.510 -7.385 0.149) 7.405 4.387 ( -1.438 6.100 0.377) 6.279 4.854 ( -0.352 -12.334 -0.343) 12.343 4.888 ( 0.672 -2.645 0.232) 2.738 5.213 ( -1.154 0.008 2.375) 2.641 5.345 ( 1.290 -6.719 -3.770) 7.812 5.992 ( 1.042 4.189 0.394) 4.335 6.108 ( -0.552 2.653 2.476) 3.671 6.295 ( 0.562 6.096 -2.695) 6.689 6.436 ( 0.037 8.319 0.066) 8.319 6.716 ( -0.754 3.659 0.294) 3.747 6.966 ( 0.290 0.062 -0.114) 0.318 7.349 ( -0.343 1.074 0.431) 1.207 7.617 ( 0.962 2.908 0.768) 3.158 ======================= Grid point 80 (52/477) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.437 -12.064 -0.654) 12.090 1.524 ( 1.201 -16.877 0.055) 16.920 1.988 ( -0.469 -25.461 -0.847) 25.479 2.422 ( -0.932 -3.807 0.138) 3.922 3.396 ( -0.394 -9.650 -0.424) 9.667 4.236 ( -0.824 8.565 0.162) 8.606 4.935 ( 0.873 -2.709 0.394) 2.873 5.061 ( -0.469 -6.733 -0.456) 6.765 5.235 ( -0.971 -3.455 0.266) 3.599 5.438 ( 0.336 -2.309 -1.490) 2.768 5.875 ( 0.654 4.579 -0.126) 4.628 6.059 ( -0.245 2.859 0.792) 2.976 6.285 ( 0.068 -2.546 0.280) 2.562 6.303 ( 0.021 4.077 -1.497) 4.343 6.627 ( -0.564 4.936 0.259) 4.975 6.938 ( 0.197 2.638 -0.325) 2.665 7.317 ( -0.245 1.967 0.057) 1.983 7.542 ( 0.233 4.979 0.211) 4.989 ======================= Grid point 81 (53/477) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -0.000 -18.427 0.000) 18.427 1.891 ( -0.000 -20.300 0.000) 20.300 2.335 ( -0.000 -10.126 0.000) 10.126 2.648 ( -0.000 -18.442 0.000) 18.442 3.595 ( -0.000 -10.628 0.000) 10.628 4.060 ( 0.000 8.832 -0.000) 8.832 4.990 ( -0.000 -2.417 0.000) 2.417 5.120 ( -0.000 -0.872 0.000) 0.872 5.325 ( -0.000 -4.638 0.000) 4.638 5.459 ( -0.000 -1.779 0.000) 1.779 5.859 ( -0.000 -1.440 0.000) 1.440 6.025 ( 0.000 0.042 -0.000) 0.042 6.250 ( 0.000 0.351 -0.000) 0.351 6.360 ( -0.000 -3.707 0.000) 3.707 6.527 ( 0.000 5.031 -0.000) 5.031 6.872 ( 0.000 3.977 -0.000) 3.977 7.277 ( 0.000 2.011 -0.000) 2.011 7.445 ( 0.000 4.485 -0.000) 4.485 ======================= Grid point 93 (54/477) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 1.461 -0.000 2.706) 3.075 0.861 ( 2.905 -0.000 1.404) 3.226 1.093 ( 4.587 -0.000 0.747) 4.648 2.594 ( -0.753 0.000 2.299) 2.419 3.073 ( 0.048 -0.000 1.108) 1.109 4.453 ( 0.580 -0.000 0.026) 0.580 4.525 ( -0.950 0.000 0.662) 1.158 4.874 ( 0.737 -0.000 1.723) 1.874 5.138 ( 0.020 -0.000 0.711) 0.711 5.243 ( 0.508 -0.000 -2.165) 2.224 5.985 ( -0.135 0.000 2.112) 2.117 6.164 ( 0.093 -0.000 -1.721) 1.723 6.678 ( 0.583 -0.000 1.603) 1.706 6.762 ( 5.467 -0.000 -6.401) 8.418 6.764 ( 0.603 -0.000 0.439) 0.746 6.804 ( -4.986 0.000 6.653) 8.314 7.355 ( -0.224 0.000 1.060) 1.084 7.655 ( 1.538 -0.000 0.902) 1.783 ======================= Grid point 94 (55/477) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 2.335 -2.086 -0.031) 3.131 0.968 ( -0.894 -20.098 2.964) 20.335 1.110 ( 2.481 -1.773 -1.210) 3.281 2.537 ( -0.524 5.226 1.195) 5.387 3.118 ( -0.088 -4.198 0.425) 4.221 4.468 ( -0.518 2.372 0.066) 2.428 4.601 ( -0.084 -10.461 0.018) 10.461 4.880 ( 0.460 -0.041 0.703) 0.842 5.199 ( -0.580 -4.986 3.484) 6.111 5.235 ( 0.819 -0.251 -4.141) 4.228 6.005 ( 0.099 -1.309 1.081) 1.701 6.148 ( 0.039 1.239 -0.716) 1.432 6.524 ( 0.498 14.457 -0.164) 14.467 6.602 ( 0.196 7.500 0.364) 7.511 6.766 ( -0.173 1.551 0.062) 1.562 6.929 ( 0.025 -4.468 0.394) 4.485 7.359 ( -0.120 -0.043 0.423) 0.442 7.658 ( 0.703 0.784 0.475) 1.155 ======================= Grid point 95 (56/477) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.000 -1.940 0.000) 1.940 1.247 ( -0.000 -11.474 0.000) 11.474 1.453 ( -0.000 -27.455 0.000) 27.455 2.435 ( 0.000 4.101 -0.000) 4.101 3.230 ( -0.000 -7.154 0.000) 7.154 4.380 ( 0.000 6.162 -0.000) 6.162 4.849 ( -0.000 -13.294 0.000) 13.294 4.895 ( -0.000 -1.477 0.000) 1.477 5.215 ( 0.000 0.526 -0.000) 0.526 5.340 ( -0.000 -6.978 0.000) 6.978 6.000 ( 0.000 4.277 -0.000) 4.277 6.113 ( 0.000 2.280 -0.000) 2.280 6.289 ( 0.000 6.436 -0.000) 6.436 6.436 ( 0.000 8.600 -0.000) 8.600 6.712 ( 0.000 3.740 -0.000) 3.740 6.967 ( 0.000 0.141 -0.000) 0.141 7.349 ( 0.000 1.177 -0.000) 1.177 7.625 ( 0.000 3.099 -0.000) 3.099 ======================= Grid point 110 (57/477) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 0.000 -0.000 0.000) 0.000 0.882 ( 0.000 -0.000 -0.000) 0.000 1.121 ( 0.000 -0.000 0.000) 0.000 2.597 ( 0.000 -0.000 0.000) 0.000 3.077 ( 0.000 -0.000 0.000) 0.000 4.457 ( 0.000 -0.000 0.000) 0.000 4.522 ( 0.000 -0.000 0.000) 0.000 4.884 ( 0.000 -0.000 0.000) 0.000 5.140 ( 0.000 -0.000 0.000) 0.000 5.238 ( 0.000 -0.000 0.000) 0.000 5.991 ( -0.000 0.000 0.000) 0.000 6.158 ( 0.000 -0.000 -0.000) 0.000 6.687 ( 0.000 -0.000 0.000) 0.000 6.769 ( 0.000 -0.000 0.000) 0.000 6.776 ( -0.000 0.000 0.000) 0.000 6.794 ( 0.000 -0.000 -0.000) 0.000 7.357 ( 0.000 -0.000 0.000) 0.000 7.667 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 205 (58/477) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( 2.987 -0.000 15.650) 15.933 0.437 ( -4.013 0.000 22.424) 22.781 0.694 ( -19.532 0.000 35.804) 40.785 2.451 ( 9.172 -0.000 -7.209) 11.665 2.923 ( 6.032 -0.000 -7.319) 9.484 4.396 ( 3.704 -0.000 -8.676) 9.434 4.431 ( -2.642 0.000 4.921) 5.585 4.646 ( -0.431 0.000 4.837) 4.856 5.125 ( -0.504 0.000 2.729) 2.775 5.352 ( -5.615 0.000 8.094) 9.851 6.174 ( 2.739 -0.000 -1.736) 3.243 6.400 ( -6.365 0.000 -6.392) 9.021 6.544 ( 1.388 -0.000 0.858) 1.632 6.669 ( 0.278 -0.000 1.979) 1.998 6.679 ( -2.518 0.000 -2.501) 3.549 6.866 ( 1.622 -0.000 0.761) 1.791 7.370 ( -0.690 0.000 3.998) 4.058 7.528 ( -7.881 0.000 3.205) 8.508 ======================= Grid point 206 (59/477) ======================= q-point: ( 0.07 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 4.431 -5.596 11.189) 13.272 0.618 ( -5.849 -12.794 17.857) 22.733 1.013 ( -9.639 -25.787 22.992) 35.867 2.474 ( 8.105 0.386 -6.793) 10.582 3.046 ( 4.422 -7.975 -4.690) 10.254 4.413 ( 6.955 -1.141 -8.714) 11.208 4.653 ( 0.633 0.896 4.277) 4.415 4.823 ( -0.881 -24.308 -14.123) 28.127 5.197 ( -0.195 -6.025 2.493) 6.524 5.341 ( -5.338 0.056 6.464) 8.383 6.069 ( -5.202 12.006 3.007) 13.426 6.179 ( 0.350 4.753 1.112) 4.894 6.465 ( -0.253 9.070 1.001) 9.129 6.564 ( -3.633 4.223 3.021) 6.337 6.787 ( 0.235 -4.053 -1.774) 4.431 6.881 ( 1.771 -0.752 0.773) 2.074 7.381 ( -0.964 -0.450 3.689) 3.839 7.491 ( -1.888 0.010 4.789) 5.148 ======================= Grid point 207 (60/477) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 1.275 -13.882 5.899) 15.137 0.961 ( -2.336 -19.577 9.322) 21.809 1.593 ( -6.656 -31.107 12.138) 34.048 2.489 ( 4.994 -0.823 -7.566) 9.103 3.234 ( 2.246 -10.738 -3.208) 11.430 4.437 ( 5.765 0.728 -7.611) 9.576 4.649 ( 0.811 0.374 3.313) 3.431 5.114 ( -2.841 -10.172 -7.027) 12.686 5.305 ( 0.494 -3.718 -3.557) 5.169 5.386 ( -4.885 -7.316 4.906) 10.072 5.880 ( -1.148 7.050 3.813) 8.097 6.108 ( 2.453 4.113 -0.553) 4.821 6.306 ( -2.263 5.206 1.935) 5.997 6.480 ( -3.063 3.538 1.616) 4.951 6.791 ( -0.323 2.036 -0.745) 2.192 6.906 ( 1.755 -0.065 -1.882) 2.575 7.392 ( -0.996 0.015 2.145) 2.365 7.502 ( 0.515 0.587 3.321) 3.412 ======================= Grid point 208 (61/477) ======================= q-point: ( 0.21 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.518 -17.081 4.154) 17.586 1.391 ( -0.885 -23.066 2.919) 23.267 2.180 ( -6.121 -28.547 5.544) 29.718 2.534 ( 2.307 -5.076 -8.892) 10.496 3.463 ( -0.047 -12.813 -3.668) 13.328 4.372 ( 0.776 5.641 -4.221) 7.087 4.694 ( 4.124 -2.778 0.371) 4.987 5.168 ( -1.424 -0.135 -1.197) 1.865 5.382 ( 0.353 -5.149 -8.944) 10.326 5.517 ( -4.438 -6.223 1.690) 7.828 5.780 ( -0.535 3.741 3.671) 5.269 6.053 ( 1.313 2.012 -0.584) 2.472 6.270 ( -0.630 -1.364 0.615) 1.623 6.406 ( -3.655 2.268 0.603) 4.344 6.724 ( -0.699 4.061 -0.043) 4.121 6.885 ( 1.347 2.248 -3.091) 4.053 7.377 ( -1.267 1.333 0.594) 1.933 7.484 ( 0.852 2.438 1.870) 3.189 ======================= Grid point 209 (62/477) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.500 -17.878 3.780) 18.280 1.850 ( -0.492 -23.760 -1.604) 23.820 2.545 ( -3.587 -9.829 -2.861) 10.847 2.753 ( -1.896 -19.849 -3.686) 20.277 3.677 ( -1.739 -9.804 -4.441) 10.902 4.236 ( -2.561 5.681 -1.101) 6.328 4.786 ( 5.204 -3.670 -1.281) 6.496 5.151 ( 0.196 0.459 -2.493) 2.542 5.429 ( 0.835 -2.319 -8.632) 8.977 5.572 ( -3.123 -2.540 -1.932) 4.465 5.758 ( -0.483 -0.177 3.337) 3.376 6.056 ( -1.034 -2.182 0.297) 2.432 6.317 ( 1.222 -2.560 -1.694) 3.304 6.362 ( -3.751 -0.136 0.500) 3.787 6.634 ( -1.412 4.412 0.668) 4.681 6.821 ( 1.176 3.778 -2.731) 4.807 7.332 ( -1.288 2.351 -0.674) 2.764 7.442 ( 0.416 2.382 0.653) 2.505 ======================= Grid point 210 (63/477) ======================= q-point: ( 0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.388 -17.909 3.814) 18.315 2.288 ( 0.253 -21.880 -5.177) 22.486 2.653 ( -3.975 -4.875 -1.387) 6.441 3.068 ( -2.343 -13.067 -2.265) 13.467 3.753 ( -1.401 -0.728 -6.105) 6.306 4.159 ( -4.890 0.314 3.521) 6.034 4.877 ( 4.339 -3.225 -2.170) 5.825 5.135 ( 1.462 0.926 -3.131) 3.577 5.449 ( 1.626 -2.934 -9.071) 9.671 5.617 ( -2.649 -4.736 -1.534) 5.639 5.779 ( 1.131 -0.819 0.841) 1.630 6.089 ( -2.266 -0.548 2.378) 3.330 6.363 ( 1.642 -2.857 -3.899) 5.105 6.387 ( -2.494 -3.732 0.459) 4.512 6.546 ( -2.330 3.733 1.052) 4.525 6.745 ( 1.175 3.735 -1.227) 4.103 7.277 ( -1.023 1.996 -1.310) 2.597 7.403 ( -0.008 1.715 -0.396) 1.760 ======================= Grid point 211 (64/477) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 1.519 -17.068 3.820) 17.556 2.551 ( -3.106 -0.059 -2.118) 3.759 2.765 ( -1.181 -14.855 -1.275) 14.956 3.198 ( 0.002 -1.230 -3.141) 3.374 3.732 ( -1.534 -1.923 -2.513) 3.516 4.139 ( -4.854 1.597 5.463) 7.480 4.941 ( 2.951 -1.753 -1.701) 3.831 5.118 ( 2.229 0.301 -4.625) 5.143 5.523 ( 2.355 -6.220 -8.716) 10.964 5.684 ( -0.128 -1.628 -0.927) 1.878 5.824 ( -0.051 -4.323 0.633) 4.369 6.054 ( -2.274 3.564 3.729) 5.637 6.401 ( 1.802 -0.522 -1.135) 2.193 6.458 ( -2.430 -0.542 1.097) 2.720 6.503 ( -1.349 -4.347 -2.229) 5.068 6.688 ( 0.866 2.620 0.224) 2.768 7.241 ( -0.550 0.693 -1.202) 1.492 7.374 ( 0.224 0.937 -1.051) 1.425 ======================= Grid point 212 (65/477) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -1.260 -4.531 3.332) 5.764 2.394 ( -2.790 2.468 3.989) 5.458 3.027 ( 2.711 -0.494 -2.733) 3.881 3.128 ( 1.483 -1.863 -4.753) 5.316 3.829 ( -2.191 -7.733 5.023) 9.478 4.072 ( -2.911 3.956 3.619) 6.101 4.965 ( 1.989 0.248 -1.351) 2.417 5.117 ( 1.928 -0.217 -5.055) 5.414 5.645 ( 2.522 -6.692 -6.587) 9.723 5.660 ( 2.964 3.272 -3.255) 5.485 5.943 ( -2.657 -5.755 3.602) 7.291 5.962 ( -1.862 4.615 4.497) 6.707 6.383 ( -0.057 1.945 -0.491) 2.006 6.458 ( 0.596 -0.725 -0.387) 1.015 6.595 ( -0.332 -3.383 0.138) 3.402 6.655 ( -0.140 0.582 0.472) 0.763 7.240 ( 0.091 -1.059 -0.505) 1.177 7.365 ( 0.914 0.003 -1.202) 1.510 ======================= Grid point 213 (66/477) ======================= q-point: (-0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -7.948 15.636 6.032) 18.548 2.606 ( 3.815 -6.149 0.827) 7.284 2.783 ( 2.372 16.630 -0.550) 16.807 3.255 ( 1.482 -2.095 -1.101) 2.792 3.973 ( 2.388 -1.680 1.578) 3.319 4.018 ( -3.836 -2.221 6.472) 7.844 4.943 ( 0.639 2.397 -2.036) 3.209 5.115 ( 1.442 -0.492 -3.816) 4.109 5.584 ( 4.617 4.930 -4.638) 8.193 5.751 ( 0.643 -3.621 -2.071) 4.221 5.852 ( -1.728 4.501 2.540) 5.449 6.060 ( -2.729 -4.497 5.238) 7.423 6.346 ( 1.056 1.599 -1.854) 2.666 6.472 ( 1.125 -0.201 0.029) 1.144 6.588 ( 1.117 2.947 1.541) 3.508 6.704 ( -1.869 -4.630 1.043) 5.101 7.276 ( 0.702 -2.176 0.372) 2.317 7.373 ( 1.154 -0.445 -1.278) 1.778 ======================= Grid point 214 (67/477) ======================= q-point: (-0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -8.698 16.652 7.306) 20.157 2.369 ( 2.194 22.236 -1.322) 22.383 2.714 ( 3.294 1.958 0.704) 3.896 3.169 ( 0.388 11.590 2.115) 11.788 3.935 ( 2.089 4.802 -1.770) 5.527 4.114 ( 0.717 -3.701 5.133) 6.368 4.865 ( -1.102 4.442 -2.739) 5.334 5.142 ( 1.200 -2.233 -1.765) 3.089 5.508 ( 5.223 3.512 -5.454) 8.328 5.726 ( -0.539 4.302 2.579) 5.044 5.833 ( -3.183 -1.402 0.787) 3.566 6.108 ( -1.711 0.085 4.258) 4.590 6.319 ( 1.617 1.551 -1.779) 2.861 6.486 ( 1.068 -0.325 0.468) 1.211 6.548 ( 1.060 1.073 1.235) 1.950 6.797 ( -1.730 -5.333 1.117) 5.716 7.327 ( 1.151 -2.078 1.017) 2.584 7.385 ( 0.434 -0.806 -1.396) 1.669 ======================= Grid point 215 (68/477) ======================= q-point: (-0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -9.212 17.034 8.056) 20.974 1.912 ( -0.121 24.657 0.339) 24.660 2.620 ( 3.163 9.324 -0.901) 9.887 2.832 ( 0.485 22.641 1.352) 22.686 3.772 ( 1.205 12.553 -0.331) 12.615 4.217 ( 4.848 -4.935 -2.167) 7.250 4.758 ( -1.957 4.325 -2.321) 5.284 5.174 ( 0.886 -0.444 -0.587) 1.152 5.486 ( 4.758 0.733 -5.060) 6.984 5.655 ( -0.203 2.954 1.510) 3.323 5.825 ( -5.685 0.329 4.237) 7.097 6.066 ( 0.016 4.157 1.593) 4.452 6.293 ( 0.852 1.234 -0.380) 1.547 6.483 ( -1.494 0.212 2.679) 3.075 6.598 ( 2.648 -4.099 -1.214) 5.029 6.885 ( -1.364 -3.977 0.205) 4.210 7.368 ( 1.537 -0.723 0.936) 1.939 7.408 ( -0.888 -2.244 -0.747) 2.527 ======================= Grid point 216 (69/477) ======================= q-point: (-0.21 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -9.028 17.866 7.552) 21.395 1.424 ( -3.390 24.401 2.695) 24.782 2.229 ( -4.286 31.224 8.091) 32.539 2.526 ( 7.924 8.401 -8.733) 14.479 3.490 ( 1.824 15.649 -2.171) 15.904 4.331 ( 6.493 -4.193 -6.172) 9.891 4.670 ( -2.048 2.960 -0.555) 3.642 5.184 ( 0.487 -0.619 0.459) 0.911 5.430 ( 4.368 6.523 -3.950) 8.788 5.617 ( -1.646 3.345 1.179) 3.910 5.807 ( -5.802 -1.926 5.248) 8.058 6.005 ( 2.613 1.403 -1.618) 3.379 6.285 ( -0.910 -0.617 0.763) 1.339 6.492 ( -2.838 -1.274 3.728) 4.855 6.696 ( 2.764 -4.450 -1.658) 5.495 6.928 ( -0.930 -1.135 -0.963) 1.756 7.381 ( 0.694 0.118 0.893) 1.137 7.448 ( -1.012 -2.055 0.556) 2.357 ======================= Grid point 217 (70/477) ======================= q-point: (-0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -6.962 18.236 5.206) 20.202 0.964 ( -7.576 20.789 7.844) 23.476 1.583 ( -6.955 33.527 13.050) 36.643 2.432 ( 9.409 3.649 -9.738) 14.024 3.210 ( 3.159 12.785 -3.375) 13.595 4.398 ( 6.475 -1.198 -8.970) 11.127 4.621 ( -1.346 1.162 2.295) 2.903 5.181 ( 2.113 4.060 -2.719) 5.323 5.293 ( 3.168 7.325 -1.281) 8.082 5.469 ( -3.869 8.496 1.220) 9.414 5.899 ( -4.281 -8.221 3.756) 10.001 6.047 ( 4.119 -3.891 -2.025) 6.017 6.325 ( -2.008 -4.323 2.211) 5.255 6.522 ( -3.349 -2.253 4.258) 5.867 6.780 ( 2.283 -2.982 -1.421) 4.015 6.911 ( -0.216 2.154 -1.459) 2.611 7.378 ( -0.016 0.807 1.814) 1.985 7.472 ( -1.180 -0.667 2.189) 2.575 ======================= Grid point 218 (71/477) ======================= q-point: (-0.07 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -2.254 11.116 8.356) 14.087 0.597 ( -9.313 15.226 15.751) 23.805 0.987 ( -12.744 26.086 24.201) 37.796 2.420 ( 9.874 0.417 -8.825) 13.250 3.021 ( 5.149 7.948 -4.804) 10.619 4.401 ( 5.191 0.636 -9.317) 10.685 4.619 ( 0.751 0.332 3.621) 3.713 4.908 ( 4.269 23.213 -16.481) 28.787 5.183 ( -0.367 5.810 2.414) 6.303 5.360 ( -5.235 0.898 6.494) 8.390 6.085 ( 0.953 -9.449 1.615) 9.633 6.178 ( -1.730 -10.389 0.979) 10.577 6.454 ( 0.370 -7.841 1.716) 8.035 6.578 ( -2.921 -4.514 5.322) 7.565 6.796 ( 0.585 4.339 -2.368) 4.978 6.856 ( 1.714 1.163 0.571) 2.148 7.367 ( -0.528 0.735 3.284) 3.406 7.489 ( -2.698 -1.870 4.553) 5.613 ======================= Grid point 220 (72/477) ======================= q-point: ( 0.07 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 6.387 -0.000 13.714) 15.129 0.542 ( -1.925 0.000 20.431) 20.521 0.737 ( -12.151 0.000 33.187) 35.342 2.509 ( 7.514 -0.000 -5.119) 9.092 2.946 ( 5.830 -0.000 -6.626) 8.825 4.421 ( 9.802 -0.000 -10.111) 14.082 4.437 ( -2.019 0.000 4.989) 5.382 4.684 ( 1.669 -0.000 4.033) 4.365 5.138 ( -0.679 0.000 3.131) 3.204 5.338 ( -5.610 0.000 7.750) 9.567 6.169 ( -2.566 0.000 -1.792) 3.130 6.267 ( -11.535 0.000 3.980) 12.202 6.570 ( 1.765 -0.000 1.584) 2.372 6.621 ( -2.498 0.000 -3.167) 4.033 6.689 ( 0.681 -0.000 2.533) 2.622 6.886 ( 0.663 -0.000 1.572) 1.706 7.385 ( -1.526 0.000 4.556) 4.805 7.492 ( -2.639 0.000 5.309) 5.929 ======================= Grid point 221 (73/477) ======================= q-point: ( 0.14 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 7.812 -1.711 10.253) 13.003 0.687 ( -2.035 -10.769 17.102) 20.312 1.056 ( -7.945 -23.553 21.004) 32.543 2.513 ( 5.377 1.668 -5.116) 7.607 3.060 ( 3.622 -7.947 -5.024) 10.075 4.441 ( 7.051 -0.810 -7.943) 10.652 4.685 ( -0.899 -1.075 4.789) 4.990 4.735 ( -0.345 -18.307 -8.992) 20.399 5.208 ( -0.582 -5.881 2.512) 6.421 5.324 ( -5.029 0.450 6.727) 8.411 6.031 ( -4.713 8.213 3.577) 10.122 6.190 ( -0.385 2.932 2.001) 3.570 6.459 ( -0.992 9.837 -0.264) 9.891 6.552 ( -0.859 3.846 1.682) 4.284 6.779 ( 0.134 -2.996 -1.196) 3.229 6.905 ( 1.295 -0.806 1.023) 1.837 7.392 ( -1.390 -0.197 3.829) 4.079 7.512 ( 0.457 -0.846 4.413) 4.517 ======================= Grid point 222 (74/477) ======================= q-point: ( 0.21 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 4.459 -9.754 5.133) 11.890 1.009 ( -0.026 -17.548 9.642) 20.022 1.592 ( -6.743 -29.160 11.131) 31.932 2.487 ( 2.748 0.837 -6.708) 7.297 3.233 ( 1.655 -9.811 -3.878) 10.678 4.445 ( 3.309 2.173 -6.373) 7.502 4.690 ( 3.203 -0.091 2.386) 3.995 5.027 ( -4.149 -13.324 -6.754) 15.504 5.286 ( -0.712 -1.149 -1.870) 2.308 5.371 ( -3.931 -6.644 5.746) 9.623 5.900 ( 0.640 6.156 3.172) 6.954 6.128 ( 1.424 4.039 -0.211) 4.288 6.291 ( -2.017 4.989 1.344) 5.546 6.458 ( -2.024 4.672 0.760) 5.148 6.778 ( -1.110 1.847 -0.544) 2.222 6.917 ( 2.080 0.836 -1.726) 2.829 7.392 ( -1.371 0.553 2.223) 2.669 7.533 ( 1.192 0.947 3.102) 3.455 ======================= Grid point 223 (75/477) ======================= q-point: ( 0.29 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 1.381 -15.701 2.437) 15.949 1.410 ( 0.292 -20.970 4.022) 21.354 2.143 ( -6.307 -27.158 5.131) 28.349 2.495 ( 0.915 -4.135 -8.592) 9.579 3.436 ( -0.282 -11.598 -4.136) 12.316 4.345 ( -1.176 6.452 -3.256) 7.322 4.752 ( 5.692 -2.765 -0.062) 6.328 5.139 ( -2.040 -2.002 -1.697) 3.324 5.326 ( -0.412 -4.923 -8.101) 9.489 5.482 ( -3.709 -4.796 1.942) 6.366 5.803 ( 0.612 4.317 3.233) 5.428 6.061 ( 0.891 2.781 -0.620) 2.985 6.268 ( -0.312 -1.957 0.430) 2.028 6.371 ( -3.173 2.755 0.475) 4.229 6.710 ( -1.799 3.889 0.346) 4.299 6.885 ( 2.092 2.735 -3.041) 4.594 7.366 ( -1.472 1.814 0.754) 2.455 7.505 ( 0.874 3.084 1.606) 3.585 ======================= Grid point 224 (76/477) ======================= q-point: ( 0.36 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.538 -18.057 2.291) 18.210 1.841 ( 0.307 -22.216 -0.640) 22.227 2.484 ( -4.185 -9.596 -2.132) 10.683 2.708 ( -1.869 -19.796 -3.505) 20.190 3.629 ( -1.376 -9.089 -4.887) 10.411 4.196 ( -3.626 5.686 -0.187) 6.747 4.840 ( 5.665 -2.850 -1.284) 6.471 5.138 ( 0.221 -0.086 -2.378) 2.390 5.379 ( 0.197 -3.037 -8.437) 8.969 5.525 ( -2.966 -2.413 -1.726) 4.195 5.781 ( 0.764 -0.031 3.030) 3.125 6.047 ( -0.894 -1.508 0.193) 1.763 6.307 ( -0.377 -0.853 -3.488) 3.611 6.339 ( -1.641 -1.816 2.501) 3.499 6.618 ( -2.439 4.415 1.113) 5.166 6.822 ( 1.909 3.719 -2.570) 4.907 7.314 ( -1.244 2.561 -0.375) 2.872 7.448 ( 0.102 3.012 0.455) 3.048 ======================= Grid point 225 (77/477) ======================= q-point: ( 0.43 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 1.010 -18.533 3.095) 18.817 2.263 ( 0.962 -20.964 -4.750) 21.517 2.601 ( -4.408 -5.735 0.127) 7.234 3.031 ( -2.018 -13.647 -1.655) 13.894 3.704 ( -0.018 -1.124 -6.314) 6.413 4.123 ( -5.907 -0.237 4.333) 7.329 4.915 ( 4.564 -2.332 -1.903) 5.467 5.130 ( 1.186 0.733 -3.232) 3.520 5.409 ( 1.403 -3.432 -8.701) 9.458 5.581 ( -2.336 -5.641 -0.652) 6.141 5.802 ( 2.048 -0.332 0.523) 2.140 6.079 ( -2.006 -0.915 2.125) 3.062 6.335 ( -1.037 -4.890 -3.493) 6.098 6.387 ( 0.644 -2.068 0.535) 2.231 6.524 ( -2.868 3.894 1.401) 5.035 6.754 ( 1.489 3.522 -0.993) 3.951 7.260 ( -0.799 1.970 -0.959) 2.332 7.398 ( -0.340 1.924 -0.395) 1.994 ======================= Grid point 226 (78/477) ======================= q-point: ( 0.50 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 1.755 -17.516 3.582) 17.965 2.504 ( -3.349 0.549 -0.976) 3.532 2.746 ( -0.673 -15.988 -1.144) 16.043 3.181 ( 0.109 -2.231 -2.489) 3.345 3.711 ( 0.465 -3.131 -2.122) 3.810 4.112 ( -6.058 0.721 5.704) 8.352 4.969 ( 3.518 -1.174 -1.217) 3.903 5.108 ( 1.358 0.437 -4.843) 5.048 5.496 ( 2.457 -6.882 -8.074) 10.890 5.678 ( -0.334 -3.306 -0.049) 3.323 5.831 ( 0.899 -2.949 0.030) 3.083 6.053 ( -2.101 3.178 3.572) 5.222 6.412 ( 0.776 0.373 -0.457) 0.975 6.439 ( -1.485 -2.616 0.029) 3.008 6.478 ( -0.980 -4.185 -1.226) 4.470 6.699 ( 0.766 2.673 0.297) 2.796 7.229 ( -0.361 0.381 -0.940) 1.077 7.370 ( 0.120 0.627 -0.916) 1.117 ======================= Grid point 227 (79/477) ======================= q-point: (-0.43 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -5.708 10.083 3.892) 12.222 2.419 ( 1.445 -12.189 3.375) 12.730 3.045 ( 3.225 -3.541 -2.350) 5.335 3.111 ( 1.098 -0.415 -5.042) 5.177 3.845 ( -0.836 -9.125 5.319) 10.595 4.053 ( -4.137 3.349 3.275) 6.250 4.983 ( 2.453 1.229 -1.113) 2.961 5.101 ( 1.231 -0.423 -5.185) 5.345 5.631 ( 2.122 -7.124 -5.858) 9.464 5.673 ( 3.304 2.905 -3.945) 5.909 5.937 ( -2.389 -4.572 3.485) 6.226 5.969 ( -1.980 3.334 4.516) 5.952 6.378 ( -0.152 1.729 -0.656) 1.855 6.465 ( 0.903 -1.026 -0.225) 1.385 6.590 ( -0.723 -5.306 0.139) 5.357 6.657 ( 0.048 1.966 0.458) 2.019 7.238 ( 0.099 -1.625 -0.539) 1.715 7.368 ( 0.914 -0.308 -1.171) 1.517 ======================= Grid point 228 (80/477) ======================= q-point: (-0.36 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -7.396 15.737 5.932) 18.372 2.647 ( 3.006 -5.149 -0.317) 5.971 2.804 ( 1.979 15.690 -0.735) 15.832 3.261 ( 1.237 -2.975 -1.805) 3.693 3.984 ( -1.095 2.007 -1.354) 2.657 4.033 ( -1.219 -7.334 8.213) 11.078 4.938 ( 0.799 3.801 -2.155) 4.442 5.106 ( 1.406 -1.102 -3.808) 4.206 5.602 ( 4.113 4.547 -5.477) 8.221 5.741 ( 0.392 -4.150 -2.815) 5.029 5.849 ( -1.807 5.364 2.751) 6.293 6.062 ( -2.831 -4.690 5.245) 7.584 6.348 ( 1.545 1.297 -2.168) 2.961 6.485 ( 0.855 -0.510 0.510) 1.119 6.604 ( 0.549 2.914 0.528) 3.012 6.689 ( -1.883 -4.863 0.931) 5.297 7.284 ( 0.433 -2.742 -0.020) 2.776 7.377 ( 1.122 -0.295 -1.375) 1.799 ======================= Grid point 229 (81/477) ======================= q-point: (-0.29 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -7.772 16.814 7.103) 19.839 2.378 ( 1.551 22.448 -2.481) 22.638 2.747 ( 2.270 2.203 -0.548) 3.211 3.178 ( -0.383 11.387 0.807) 11.422 3.935 ( 0.079 3.789 -2.219) 4.392 4.153 ( 1.119 -3.734 3.724) 5.391 4.839 ( -0.395 5.300 -2.585) 5.910 5.143 ( 1.103 -2.570 -2.013) 3.446 5.525 ( 4.498 3.235 -6.456) 8.507 5.730 ( -1.063 4.082 1.312) 4.417 5.802 ( -2.925 -0.792 0.771) 3.127 6.113 ( -2.092 -0.180 4.110) 4.615 6.327 ( 1.816 1.397 -1.896) 2.974 6.497 ( -0.110 0.484 1.052) 1.163 6.561 ( 1.088 0.312 -0.644) 1.303 6.783 ( -1.776 -5.358 0.648) 5.682 7.341 ( 0.338 -2.739 0.370) 2.784 7.382 ( 0.783 -0.127 -1.280) 1.505 ======================= Grid point 230 (82/477) ======================= q-point: (-0.21 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -7.862 17.342 7.761) 20.562 1.908 ( -0.413 25.188 -0.907) 25.208 2.638 ( 1.563 9.611 -1.898) 9.920 2.838 ( -0.160 21.952 -0.321) 21.955 3.773 ( 0.009 12.162 -1.287) 12.229 4.253 ( 4.053 -5.049 -2.667) 7.002 4.729 ( -0.724 4.515 -1.725) 4.887 5.177 ( 0.687 -0.707 -1.248) 1.590 5.499 ( 3.770 0.676 -6.184) 7.274 5.656 ( -0.702 2.772 0.456) 2.895 5.789 ( -5.089 0.453 3.947) 6.456 6.073 ( -0.465 3.821 1.323) 4.070 6.299 ( 0.762 1.610 -0.433) 1.833 6.474 ( -2.618 0.367 1.633) 3.107 6.618 ( 2.453 -4.198 -1.480) 5.083 6.868 ( -1.346 -3.958 -0.583) 4.221 7.385 ( 0.269 -0.247 -0.615) 0.716 7.397 ( 0.090 -2.673 0.713) 2.768 ======================= Grid point 231 (83/477) ======================= q-point: (-0.14 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -7.040 18.079 7.275) 20.720 1.405 ( -2.631 25.057 1.979) 25.272 2.226 ( -4.966 30.851 7.233) 32.074 2.551 ( 6.390 7.393 -9.071) 13.333 3.492 ( 1.102 15.110 -2.562) 15.365 4.361 ( 5.672 -4.013 -6.031) 9.201 4.652 ( -0.820 2.570 0.369) 2.723 5.189 ( 0.228 -0.783 -0.202) 0.840 5.442 ( 3.020 5.437 -5.687) 8.427 5.596 ( -2.973 4.934 0.493) 5.782 5.780 ( -4.365 -2.382 4.797) 6.910 6.024 ( 2.228 0.328 -1.221) 2.562 6.280 ( -1.019 0.020 0.857) 1.332 6.475 ( -3.605 -1.495 2.387) 4.575 6.715 ( 2.154 -4.412 -1.383) 5.101 6.910 ( -0.605 -1.296 -1.749) 2.259 7.389 ( -0.143 -0.060 0.552) 0.574 7.448 ( -0.087 -2.083 1.482) 2.558 ======================= Grid point 232 (84/477) ======================= q-point: (-0.07 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -3.384 17.020 6.110) 18.398 0.945 ( -4.997 20.882 8.542) 23.108 1.588 ( -6.687 32.731 12.846) 35.792 2.470 ( 7.564 2.427 -8.726) 11.800 3.224 ( 2.820 11.835 -2.972) 12.524 4.417 ( 6.645 -0.336 -8.425) 10.735 4.628 ( -0.618 0.030 3.198) 3.257 5.169 ( -0.212 5.695 -4.622) 7.338 5.312 ( 2.440 6.587 -3.214) 7.724 5.424 ( -5.308 8.021 1.794) 9.784 5.880 ( -3.268 -8.000 4.009) 9.526 6.080 ( 3.474 -4.020 -1.227) 5.452 6.317 ( -2.147 -4.940 2.355) 5.879 6.504 ( -3.639 -2.825 2.889) 5.437 6.792 ( 1.102 -2.597 -1.070) 3.017 6.903 ( 0.764 1.297 -1.745) 2.304 7.387 ( -0.513 0.499 1.997) 2.122 7.481 ( -0.334 -0.589 3.067) 3.141 ======================= Grid point 235 (85/477) ======================= q-point: ( 0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 7.920 -0.000 11.765) 14.183 0.646 ( -1.391 0.000 17.552) 17.607 0.827 ( -7.004 0.000 27.677) 28.550 2.551 ( 5.003 -0.000 -3.964) 6.383 2.968 ( 5.477 -0.000 -6.402) 8.425 4.448 ( -1.556 0.000 4.963) 5.202 4.465 ( 8.797 -0.000 -9.957) 13.286 4.729 ( 2.652 -0.000 2.273) 3.493 5.149 ( -0.880 0.000 3.292) 3.407 5.326 ( -5.241 0.000 7.705) 9.318 6.097 ( -7.360 0.000 1.330) 7.480 6.221 ( -3.859 0.000 4.594) 6.000 6.589 ( 1.397 -0.000 -5.400) 5.577 6.603 ( 1.934 -0.000 1.850) 2.676 6.715 ( 0.821 -0.000 2.709) 2.831 6.902 ( -0.110 0.000 2.306) 2.308 7.394 ( -1.937 0.000 4.583) 4.976 7.520 ( 1.430 -0.000 4.376) 4.604 ======================= Grid point 236 (86/477) ======================= q-point: ( 0.21 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 8.080 0.361 8.855) 11.993 0.783 ( 1.007 -9.469 14.302) 17.182 1.096 ( -7.395 -20.593 18.786) 28.839 2.531 ( 3.303 2.920 -4.578) 6.356 3.066 ( 3.304 -7.348 -5.561) 9.790 4.464 ( 5.099 0.024 -6.864) 8.551 4.660 ( -3.049 -15.117 -0.865) 15.446 4.739 ( 3.526 0.158 -0.094) 3.531 5.215 ( -0.927 -5.343 2.248) 5.870 5.313 ( -4.701 0.440 7.380) 8.761 6.010 ( -2.584 4.382 2.522) 5.678 6.195 ( -1.499 2.055 2.919) 3.872 6.447 ( 0.475 10.059 -2.093) 10.285 6.562 ( 0.688 5.258 1.196) 5.436 6.775 ( 0.072 -1.664 -0.646) 1.786 6.924 ( 0.796 -0.949 1.224) 1.742 7.398 ( -1.726 0.017 3.650) 4.037 7.553 ( 1.879 -0.607 3.813) 4.294 ======================= Grid point 237 (87/477) ======================= q-point: ( 0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 5.187 -5.854 4.568) 9.058 1.079 ( 1.626 -15.578 9.017) 18.073 1.583 ( -6.778 -27.357 10.226) 29.982 2.468 ( 1.366 2.351 -6.564) 7.105 3.223 ( 1.361 -9.074 -4.587) 10.258 4.431 ( 1.007 3.626 -5.221) 6.436 4.748 ( 4.776 -0.788 1.003) 4.944 4.945 ( -3.534 -13.911 -4.656) 15.089 5.266 ( -1.184 0.021 -0.953) 1.520 5.368 ( -3.393 -5.820 6.197) 9.154 5.931 ( 1.488 5.346 2.354) 6.028 6.137 ( 0.574 4.010 -0.511) 4.083 6.279 ( -1.428 4.597 1.116) 4.941 6.444 ( -1.056 6.069 0.298) 6.167 6.761 ( -1.340 2.088 -0.347) 2.505 6.930 ( 1.931 1.274 -1.433) 2.721 7.389 ( -1.630 1.004 2.161) 2.887 7.567 ( 1.482 1.615 2.601) 3.401 ======================= Grid point 238 (88/477) ======================= q-point: ( 0.36 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 1.809 -14.020 1.765) 14.246 1.447 ( 1.261 -18.902 4.570) 19.488 2.105 ( -6.076 -25.938 5.355) 27.173 2.448 ( 0.431 -3.570 -8.327) 9.070 3.406 ( -0.129 -10.635 -4.301) 11.472 4.307 ( -1.981 6.925 -2.627) 7.667 4.817 ( 5.786 -2.655 -0.505) 6.386 5.104 ( -1.947 -4.395 -1.902) 5.169 5.274 ( -0.656 -3.443 -6.101) 7.037 5.459 ( -2.554 -3.205 2.121) 4.614 5.833 ( 1.054 4.592 2.941) 5.554 6.064 ( 0.494 3.021 -1.131) 3.264 6.268 ( -0.019 -2.098 0.345) 2.127 6.342 ( -2.501 3.068 0.823) 4.043 6.690 ( -2.229 3.912 0.535) 4.534 6.892 ( 2.283 2.980 -2.586) 4.558 7.354 ( -1.545 2.140 0.893) 2.787 7.523 ( 0.744 3.848 1.238) 4.111 ======================= Grid point 239 (89/477) ======================= q-point: ( 0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.689 -18.296 1.884) 18.405 1.848 ( 1.132 -20.536 0.116) 20.568 2.427 ( -3.938 -9.397 -0.691) 10.212 2.669 ( -1.392 -20.052 -2.618) 20.270 3.587 ( -0.458 -8.658 -4.766) 9.893 4.154 ( -3.884 5.676 0.641) 6.908 4.895 ( 5.255 -2.160 -1.323) 5.834 5.126 ( 0.222 -0.542 -2.040) 2.122 5.329 ( 0.069 -3.616 -7.520) 8.344 5.487 ( -2.066 -2.081 -0.886) 3.063 5.812 ( 1.438 -0.025 2.854) 3.196 6.039 ( -0.734 -1.033 0.150) 1.276 6.277 ( -1.177 0.088 -2.321) 2.604 6.344 ( -0.149 -2.710 1.774) 3.243 6.595 ( -2.840 4.438 1.302) 5.428 6.831 ( 2.116 3.667 -2.019) 4.691 7.299 ( -1.101 2.626 -0.027) 2.848 7.450 ( -0.125 3.661 0.296) 3.675 ======================= Grid point 240 (90/477) ======================= q-point: ( 0.50 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.920 -19.228 3.167) 19.508 2.250 ( 1.789 -19.805 -4.207) 20.326 2.559 ( -4.154 -6.370 2.074) 7.882 3.004 ( -1.389 -14.047 -0.481) 14.124 3.675 ( 1.866 -1.972 -6.039) 6.621 4.084 ( -6.362 -0.343 5.387) 8.343 4.954 ( 4.431 -1.845 -1.692) 5.090 5.120 ( 0.631 0.959 -3.116) 3.320 5.373 ( 1.672 -4.075 -7.902) 9.047 5.558 ( -1.666 -6.300 0.749) 6.560 5.831 ( 2.552 0.254 0.248) 2.576 6.071 ( -1.706 -1.197 2.032) 2.911 6.306 ( -0.703 -5.111 -2.460) 5.716 6.399 ( 0.935 -2.062 0.303) 2.284 6.500 ( -2.962 3.844 1.552) 5.095 6.765 ( 1.438 3.517 -0.565) 3.841 7.248 ( -0.479 1.930 -0.506) 2.052 7.391 ( -0.475 2.052 -0.335) 2.133 ======================= Grid point 241 (91/477) ======================= q-point: ( 0.57 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 1.229 -17.861 3.709) 18.283 2.466 ( -2.908 1.540 0.206) 3.297 2.735 ( -0.112 -16.831 -1.031) 16.863 3.171 ( 0.424 -2.809 -1.548) 3.235 3.716 ( 2.440 -4.213 -1.498) 5.093 4.077 ( -6.744 0.351 6.302) 9.237 5.004 ( 3.878 -0.835 -1.066) 4.107 5.088 ( 0.411 0.701 -4.755) 4.824 5.477 ( 2.752 -7.392 -7.031) 10.567 5.677 ( -0.231 -4.323 0.766) 4.396 5.843 ( 1.465 -1.672 -0.491) 2.277 6.052 ( -1.998 2.882 3.507) 4.959 6.409 ( -1.823 1.732 1.418) 2.887 6.428 ( 0.830 -5.287 -2.320) 5.832 6.468 ( -0.114 -3.620 0.002) 3.621 6.709 ( 0.537 2.865 0.462) 2.952 7.222 ( -0.066 0.260 -0.560) 0.621 7.366 ( 0.105 0.276 -0.823) 0.874 ======================= Grid point 242 (92/477) ======================= q-point: (-0.36 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -5.142 12.050 4.127) 13.736 2.454 ( 0.827 -13.826 3.007) 14.173 3.067 ( 3.001 -11.731 -2.909) 12.453 3.093 ( 1.307 7.004 -4.330) 8.337 3.874 ( -0.353 -9.463 5.381) 10.892 4.024 ( -4.457 2.827 3.273) 6.211 5.002 ( 2.037 2.442 -1.585) 3.553 5.083 ( 1.424 -0.999 -4.795) 5.101 5.620 ( 2.121 -6.964 -5.002) 8.832 5.683 ( 3.283 2.733 -4.696) 6.349 5.933 ( -2.091 -3.768 3.484) 5.542 5.974 ( -2.207 2.702 4.370) 5.592 6.373 ( 0.051 1.225 -0.655) 1.390 6.474 ( 0.735 -1.202 -0.190) 1.422 6.583 ( -0.707 -5.705 0.245) 5.753 6.661 ( 0.028 2.513 0.374) 2.540 7.236 ( 0.203 -1.870 -0.482) 1.942 7.370 ( 0.794 -0.557 -1.254) 1.585 ======================= Grid point 243 (93/477) ======================= q-point: (-0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -5.870 15.928 5.711) 17.910 2.668 ( 1.656 -3.501 -1.603) 4.191 2.817 ( 1.198 14.470 -0.935) 14.550 3.260 ( 0.965 -3.163 -2.418) 4.097 3.948 ( -3.422 0.774 -1.290) 3.738 4.077 ( -0.009 -6.659 6.875) 9.571 4.932 ( 0.781 4.649 -2.534) 5.352 5.101 ( 1.884 -1.449 -3.636) 4.343 5.607 ( 3.520 4.418 -6.458) 8.580 5.726 ( 0.360 -3.762 -2.959) 4.800 5.845 ( -1.856 5.725 2.455) 6.500 6.063 ( -2.855 -4.696 5.028) 7.449 6.353 ( 1.858 0.994 -2.208) 3.052 6.497 ( 0.254 -0.769 0.935) 1.237 6.605 ( -0.244 3.122 -0.728) 3.215 6.675 ( -1.399 -4.732 0.843) 5.006 7.285 ( 0.108 -2.894 -0.471) 2.934 7.380 ( 0.994 -0.320 -1.419) 1.762 ======================= Grid point 244 (94/477) ======================= q-point: (-0.21 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -5.840 17.040 6.657) 19.204 2.372 ( 0.840 22.575 -3.696) 22.891 2.757 ( 0.652 2.640 -1.562) 3.136 3.170 ( -1.190 11.477 -0.501) 11.549 3.910 ( -1.300 2.617 -3.233) 4.358 4.183 ( 0.259 -3.275 2.965) 4.425 4.825 ( 0.819 5.616 -2.472) 6.191 5.142 ( 1.138 -2.526 -2.312) 3.609 5.527 ( 3.712 2.955 -7.518) 8.890 5.719 ( -1.608 3.727 -0.013) 4.059 5.778 ( -2.218 0.082 0.950) 2.414 6.113 ( -2.356 -0.254 3.734) 4.422 6.336 ( 1.906 1.402 -1.877) 3.020 6.493 ( -1.702 2.106 0.614) 2.776 6.567 ( 1.052 -1.202 -1.364) 2.101 6.766 ( -1.457 -5.153 0.026) 5.355 7.337 ( -0.639 -2.616 -0.839) 2.821 7.388 ( 1.161 -0.362 -0.541) 1.331 ======================= Grid point 245 (95/477) ======================= q-point: (-0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -5.398 17.626 6.942) 19.698 1.892 ( -0.733 25.262 -1.827) 25.339 2.630 ( -0.393 9.862 -2.594) 10.205 2.825 ( -0.854 21.069 -1.931) 21.174 3.756 ( -0.947 11.494 -2.431) 11.787 4.271 ( 1.997 -5.341 -2.603) 6.268 4.722 ( 1.370 4.573 -1.352) 4.962 5.174 ( 0.442 -0.890 -1.877) 2.124 5.492 ( 2.736 1.035 -7.273) 7.839 5.644 ( -1.390 2.554 -0.603) 2.970 5.762 ( -3.947 0.480 3.786) 5.491 6.072 ( -0.865 3.395 0.905) 3.618 6.305 ( 0.809 2.016 -0.521) 2.234 6.446 ( -3.405 0.414 0.413) 3.455 6.634 ( 1.575 -4.318 -0.985) 4.701 6.848 ( -0.897 -3.908 -1.495) 4.279 7.371 ( -1.066 -1.618 -1.041) 2.200 7.414 ( 1.031 -1.649 1.067) 2.218 ======================= Grid point 246 (96/477) ======================= q-point: (-0.07 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -3.722 17.895 6.053) 19.254 1.392 ( -1.860 24.570 2.053) 24.726 2.209 ( -5.626 29.870 6.331) 31.047 2.554 ( 4.321 6.215 -9.104) 11.840 3.482 ( 0.453 14.077 -3.087) 14.419 4.378 ( 3.534 -4.625 -5.324) 7.888 4.659 ( 1.468 2.589 0.666) 3.050 5.185 ( -0.496 -0.674 -0.723) 1.106 5.425 ( 1.614 4.849 -7.735) 9.271 5.558 ( -4.205 6.395 0.887) 7.705 5.771 ( -2.357 -3.033 4.226) 5.711 6.040 ( 1.761 -0.901 -0.860) 2.157 6.274 ( -0.900 0.675 0.799) 1.380 6.444 ( -3.856 -1.825 1.246) 4.445 6.726 ( 0.863 -4.292 -0.716) 4.436 6.894 ( 0.238 -1.689 -2.573) 3.087 7.386 ( -0.892 -0.713 0.461) 1.232 7.463 ( 0.614 -2.088 1.919) 2.902 ======================= Grid point 250 (97/477) ======================= q-point: ( 0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -1.757 0.000 14.536) 14.642 0.771 ( 7.991 -0.000 10.381) 13.101 0.920 ( -4.649 0.000 21.744) 22.235 2.572 ( 3.293 -0.000 -4.247) 5.374 2.987 ( 5.056 -0.000 -6.661) 8.363 4.464 ( -1.333 0.000 4.849) 5.029 4.490 ( 6.002 -0.000 -8.494) 10.400 4.771 ( 3.108 -0.000 0.605) 3.167 5.159 ( -1.087 0.000 3.170) 3.351 5.319 ( -4.801 0.000 8.025) 9.352 6.039 ( -4.406 0.000 1.175) 4.560 6.212 ( -2.995 0.000 4.319) 5.256 6.579 ( 3.814 -0.000 -7.050) 8.016 6.635 ( 1.832 -0.000 1.507) 2.372 6.741 ( 0.699 -0.000 2.561) 2.655 6.913 ( -0.887 0.000 2.878) 3.011 7.399 ( -2.110 0.000 4.075) 4.589 7.570 ( 2.539 -0.000 3.633) 4.432 ======================= Grid point 251 (98/477) ======================= q-point: ( 0.29 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 4.455 -0.183 9.077) 10.113 0.890 ( 4.752 -7.241 8.996) 12.488 1.126 ( -7.607 -17.760 17.081) 25.789 2.530 ( 2.091 3.989 -5.308) 6.961 3.065 ( 3.256 -6.460 -6.194) 9.523 4.468 ( 2.849 1.115 -5.927) 6.670 4.631 ( -1.853 -12.835 0.350) 12.973 4.781 ( 3.824 0.537 -0.256) 3.870 5.216 ( -1.113 -4.473 1.541) 4.860 5.312 ( -4.422 0.090 8.560) 9.635 6.001 ( -0.968 1.701 0.859) 2.137 6.194 ( -2.178 1.602 3.640) 4.534 6.445 ( 2.240 10.614 -3.523) 11.405 6.578 ( 0.972 6.458 0.668) 6.565 6.772 ( -0.045 -0.370 -0.192) 0.419 6.938 ( 0.283 -1.147 1.305) 1.760 7.399 ( -1.939 0.178 3.176) 3.726 7.599 ( 2.153 -0.082 3.061) 3.743 ======================= Grid point 252 (99/477) ======================= q-point: ( 0.36 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 4.023 -2.924 4.223) 6.525 1.155 ( 2.261 -14.068 7.469) 16.087 1.571 ( -6.580 -26.013 9.896) 28.599 2.436 ( 0.897 3.480 -7.195) 8.043 3.208 ( 1.459 -8.509 -5.063) 10.009 4.405 ( -0.046 4.575 -4.601) 6.489 4.805 ( 4.580 -1.463 -0.246) 4.814 4.890 ( -2.199 -13.221 -2.447) 13.624 5.246 ( -1.472 0.515 -0.590) 1.667 5.375 ( -2.706 -5.057 6.925) 8.992 5.961 ( 1.543 4.407 1.410) 4.878 6.134 ( 0.041 4.474 -1.526) 4.727 6.275 ( -0.746 4.143 1.644) 4.520 6.437 ( -0.380 7.284 0.025) 7.294 6.744 ( -1.312 2.523 -0.131) 2.847 6.942 ( 1.603 1.387 -1.137) 2.405 7.383 ( -1.743 1.306 1.963) 2.932 7.597 ( 1.304 2.340 1.914) 3.293 ======================= Grid point 253 (100/477) ======================= q-point: ( 0.43 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 1.349 -12.558 2.223) 12.825 1.492 ( 1.443 -17.305 4.312) 17.893 2.077 ( -5.399 -25.048 6.328) 26.393 2.402 ( 0.823 -3.566 -8.100) 8.889 3.380 ( 0.447 -10.049 -4.076) 10.853 4.269 ( -1.872 7.137 -2.297) 7.727 4.872 ( 4.717 -2.681 -1.087) 5.533 5.074 ( -1.240 -6.176 -1.384) 6.450 5.234 ( -0.591 -1.881 -4.138) 4.583 5.452 ( -1.281 -1.765 2.651) 3.433 5.863 ( 0.916 4.489 2.814) 5.377 6.058 ( 0.178 2.619 -2.010) 3.307 6.271 ( 0.180 -1.083 0.264) 1.129 6.326 ( -1.647 2.598 1.623) 3.478 6.668 ( -2.217 4.097 0.660) 4.705 6.903 ( 2.145 2.995 -1.973) 4.179 7.342 ( -1.476 2.302 0.992) 2.909 7.537 ( 0.473 4.533 0.822) 4.631 ======================= Grid point 254 (101/477) ======================= q-point: ( 0.50 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.529 -18.490 2.850) 18.715 1.865 ( 1.398 -19.190 0.314) 19.244 2.389 ( -2.964 -9.285 1.201) 9.820 2.645 ( -0.602 -20.510 -1.175) 20.553 3.561 ( 0.904 -8.593 -4.092) 9.560 4.118 ( -3.510 5.668 1.311) 6.794 4.940 ( 4.189 -1.906 -1.536) 4.852 5.117 ( 0.164 -0.632 -1.568) 1.699 5.289 ( 0.693 -3.918 -6.051) 7.241 5.469 ( -0.866 -1.728 0.469) 1.989 5.848 ( 1.484 -0.177 2.892) 3.255 6.032 ( -0.575 -0.899 0.107) 1.072 6.254 ( -0.704 0.277 -1.623) 1.791 6.356 ( 0.215 -2.805 1.659) 3.266 6.572 ( -2.800 4.511 1.359) 5.481 6.843 ( 1.981 3.628 -1.297) 4.333 7.289 ( -0.868 2.546 0.320) 2.709 7.449 ( -0.233 4.196 0.180) 4.207 ======================= Grid point 255 (102/477) ======================= q-point: ( 0.57 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.462 -19.636 4.127) 20.070 2.248 ( 2.387 -18.873 -3.632) 19.367 2.535 ( -3.449 -6.486 3.823) 8.281 2.994 ( -0.581 -14.200 1.007) 14.248 3.671 ( 3.928 -3.059 -5.348) 7.307 4.050 ( -6.284 -0.090 6.565) 9.088 4.991 ( 3.797 -1.823 -1.806) 4.583 5.105 ( 0.162 1.487 -2.648) 3.041 5.349 ( 2.505 -4.640 -6.772) 8.583 5.553 ( -0.821 -6.541 2.309) 6.985 5.861 ( 2.476 0.870 0.089) 2.626 6.067 ( -1.426 -1.362 2.098) 2.879 6.289 ( 0.022 -5.237 -1.592) 5.474 6.411 ( 0.895 -2.008 0.350) 2.226 6.478 ( -2.736 3.619 1.605) 4.812 6.778 ( 1.172 3.661 -0.041) 3.844 7.242 ( -0.132 1.845 -0.028) 1.850 7.384 ( -0.375 2.121 -0.249) 2.168 ======================= Grid point 256 (103/477) ======================= q-point: ( 0.64 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.142 -17.879 4.201) 18.367 2.443 ( -1.789 2.776 1.211) 3.518 2.730 ( 0.243 -17.344 -0.992) 17.374 3.171 ( 0.877 -2.921 -0.583) 3.105 3.745 ( 3.932 -4.800 -0.783) 6.254 4.043 ( -6.801 0.421 7.142) 9.871 5.041 ( 3.988 -0.948 -1.492) 4.362 5.058 ( -0.382 1.257 -4.231) 4.430 5.470 ( 3.275 -7.613 -5.803) 10.117 5.683 ( 0.128 -4.514 1.391) 4.725 5.856 ( 1.485 -0.709 -0.809) 1.833 6.052 ( -1.987 2.755 3.561) 4.921 6.394 ( -2.212 0.604 1.441) 2.708 6.425 ( 1.322 -4.796 -2.273) 5.470 6.473 ( 0.530 -3.364 0.695) 3.476 6.717 ( 0.241 3.135 0.688) 3.218 7.221 ( 0.263 0.275 -0.135) 0.403 7.362 ( 0.197 0.048 -0.788) 0.814 ======================= Grid point 257 (104/477) ======================= q-point: (-0.29 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -3.502 12.829 4.171) 13.938 2.474 ( -0.653 -13.902 2.848) 14.206 3.060 ( 0.968 -10.199 -4.875) 11.345 3.102 ( 3.183 5.614 -2.263) 6.838 3.895 ( -2.332 -6.423 4.827) 8.366 4.005 ( -2.401 0.235 3.952) 4.630 5.001 ( 0.388 2.843 -2.901) 4.080 5.080 ( 3.021 -1.037 -3.693) 4.882 5.615 ( 2.325 -6.489 -4.163) 8.053 5.687 ( 3.111 3.085 -5.438) 6.984 5.934 ( -1.881 -2.976 3.614) 5.045 5.975 ( -2.478 2.286 4.156) 5.351 6.371 ( 0.363 0.642 -0.522) 0.904 6.478 ( 0.160 -1.398 -0.288) 1.436 6.579 ( -0.243 -5.102 0.386) 5.122 6.662 ( -0.146 2.787 0.286) 2.805 7.237 ( 0.328 -1.764 -0.379) 1.834 7.370 ( 0.642 -0.676 -1.387) 1.672 ======================= Grid point 258 (105/477) ======================= q-point: (-0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -3.737 16.146 5.343) 17.413 2.664 ( 0.157 -1.732 -2.660) 3.178 2.819 ( 0.194 13.448 -1.115) 13.496 3.252 ( 0.662 -2.597 -2.918) 3.962 3.894 ( -4.173 0.217 -1.872) 4.579 4.116 ( -0.513 -5.654 6.286) 8.470 4.924 ( 0.945 4.505 -2.829) 5.403 5.103 ( 2.521 -1.238 -3.566) 4.539 5.599 ( 2.990 4.571 -7.501) 9.279 5.712 ( 0.414 -2.948 -2.740) 4.046 5.839 ( -1.839 5.922 2.036) 6.526 6.062 ( -2.797 -4.554 4.676) 7.101 6.362 ( 2.048 0.795 -2.029) 2.991 6.501 ( -0.806 -0.978 1.296) 1.812 6.590 ( -0.822 3.316 -1.834) 3.878 6.669 ( -0.614 -4.012 0.643) 4.110 7.280 ( -0.209 -2.550 -0.884) 2.707 7.382 ( 0.805 -0.580 -1.401) 1.717 ======================= Grid point 259 (106/477) ======================= q-point: (-0.14 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -3.425 17.260 5.899) 18.559 2.351 ( 0.254 22.584 -4.676) 23.065 2.741 ( -1.181 3.245 -2.161) 4.073 3.146 ( -1.876 11.849 -1.580) 12.100 3.866 ( -2.044 1.569 -4.417) 5.114 4.195 ( -1.454 -2.373 2.771) 3.927 4.827 ( 2.337 5.239 -2.417) 6.225 5.140 ( 1.276 -2.096 -2.623) 3.592 5.513 ( 2.909 2.738 -8.437) 9.335 5.693 ( -2.169 3.497 -1.139) 4.270 5.766 ( -1.161 0.890 1.157) 1.865 6.108 ( -2.468 -0.124 3.250) 4.082 6.346 ( 1.952 1.506 -1.810) 3.059 6.467 ( -2.723 3.506 -0.722) 4.498 6.568 ( 0.201 -2.503 -0.596) 2.580 6.752 ( -0.683 -4.721 -0.645) 4.813 7.320 ( -1.004 -2.234 -1.394) 2.818 7.398 ( 0.896 -0.961 -0.313) 1.351 ======================= Grid point 260 (107/477) ======================= q-point: (-0.07 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -2.645 17.779 5.538) 18.808 1.870 ( -0.834 24.806 -2.099) 24.909 2.597 ( -2.240 9.951 -2.955) 10.619 2.795 ( -1.497 20.290 -3.131) 20.584 3.722 ( -1.566 10.660 -3.556) 11.346 4.264 ( -0.566 -5.590 -1.989) 5.960 4.743 ( 3.676 4.309 -1.262) 5.802 5.164 ( 0.255 -0.825 -2.323) 2.478 5.468 ( 1.727 1.627 -8.172) 8.509 5.615 ( -2.413 2.500 -1.511) 3.788 5.751 ( -2.211 0.370 3.634) 4.270 6.066 ( -1.056 2.852 0.530) 3.088 6.311 ( 0.969 2.384 -0.752) 2.681 6.405 ( -3.745 0.271 -0.212) 3.761 6.640 ( 0.128 -4.389 -0.114) 4.392 6.831 ( 0.052 -3.842 -2.320) 4.489 7.351 ( -1.232 -2.033 -0.894) 2.540 7.430 ( 0.758 -1.882 0.867) 2.207 ======================= Grid point 265 (108/477) ======================= q-point: ( 0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -2.619 0.000 11.634) 11.925 0.918 ( 6.175 -0.000 10.210) 11.933 0.993 ( -3.732 0.000 15.710) 16.147 2.572 ( 2.301 -0.000 -5.622) 6.075 2.997 ( 4.647 -0.000 -7.330) 8.679 4.479 ( -1.357 0.000 4.680) 4.873 4.493 ( 3.772 -0.000 -7.529) 8.421 4.806 ( 3.056 -0.000 -0.750) 3.147 5.165 ( -1.294 0.000 2.772) 3.059 5.320 ( -4.464 0.000 8.767) 9.838 6.008 ( -1.992 0.000 -0.209) 2.003 6.207 ( -2.829 0.000 4.624) 5.421 6.583 ( 5.285 -0.000 -8.081) 9.656 6.661 ( 1.446 -0.000 0.535) 1.542 6.762 ( 0.372 -0.000 2.202) 2.233 6.918 ( -1.721 0.000 3.267) 3.692 7.398 ( -2.205 0.000 3.245) 3.923 7.619 ( 2.317 -0.000 2.813) 3.644 ======================= Grid point 266 (109/477) ======================= q-point: ( 0.36 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.695 -3.286 8.873) 9.487 0.993 ( 5.692 -3.543 2.986) 7.339 1.146 ( -7.663 -15.555 17.045) 24.315 2.511 ( 1.625 4.776 -6.948) 8.587 3.060 ( 3.292 -5.728 -6.864) 9.527 4.456 ( 1.656 2.072 -5.567) 6.167 4.619 ( -1.268 -11.122 1.415) 11.283 4.818 ( 3.276 -0.022 -1.256) 3.509 5.209 ( -1.342 -3.413 0.861) 3.767 5.323 ( -3.991 -0.604 9.800) 10.598 5.996 ( -0.088 0.081 -0.901) 0.909 6.193 ( -2.310 1.503 4.218) 5.038 6.451 ( 3.291 11.138 -4.367) 12.408 6.590 ( 0.778 7.097 -0.111) 7.140 6.771 ( -0.215 0.685 0.087) 0.723 6.946 ( -0.242 -1.450 1.237) 1.921 7.395 ( -2.018 0.232 2.492) 3.215 7.638 ( 1.615 0.414 2.121) 2.698 ======================= Grid point 267 (110/477) ======================= q-point: ( 0.43 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 1.884 -1.315 3.687) 4.344 1.219 ( 1.561 -13.293 5.491) 14.467 1.564 ( -5.998 -25.105 10.431) 27.839 2.398 ( 1.220 4.009 -8.317) 9.313 3.193 ( 1.851 -8.214 -5.291) 9.944 4.375 ( 0.014 5.094 -4.467) 6.775 4.843 ( 2.712 -3.657 -1.156) 4.697 4.864 ( -0.449 -10.811 -0.802) 10.850 5.226 ( -1.647 0.639 -0.146) 1.773 5.395 ( -1.971 -4.504 7.598) 9.050 5.982 ( 1.130 3.091 0.325) 3.307 6.119 ( -0.261 5.734 -2.608) 6.305 6.284 ( -0.035 3.633 2.554) 4.441 6.435 ( -0.024 7.983 -0.211) 7.986 6.730 ( -1.157 2.968 0.057) 3.186 6.951 ( 1.229 1.246 -0.895) 1.965 7.375 ( -1.701 1.424 1.672) 2.778 7.619 ( 0.727 2.896 1.112) 3.186 ======================= Grid point 268 (111/477) ======================= q-point: ( 0.50 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.557 -11.951 3.273) 12.403 1.531 ( 0.632 -16.309 3.691) 16.733 2.066 ( -4.421 -24.566 7.820) 26.157 2.366 ( 1.864 -4.188 -7.847) 9.088 3.366 ( 1.335 -9.931 -3.549) 10.631 4.237 ( -1.103 7.170 -2.247) 7.595 4.907 ( 3.034 -2.879 -1.919) 4.602 5.060 ( -0.333 -6.944 -0.281) 6.958 5.208 ( -0.214 -1.126 -2.410) 2.669 5.463 ( -0.235 -0.616 3.386) 3.449 5.888 ( 0.295 4.051 2.874) 4.976 6.043 ( 0.082 1.689 -2.897) 3.355 6.275 ( 0.202 1.291 0.086) 1.310 6.327 ( -0.642 1.006 2.653) 2.909 6.649 ( -1.933 4.364 0.745) 4.831 6.915 ( 1.857 2.839 -1.330) 3.644 7.333 ( -1.266 2.307 1.042) 2.831 7.544 ( 0.096 4.957 0.391) 4.973 ======================= Grid point 269 (112/477) ======================= q-point: ( 0.57 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.269 -18.631 4.635) 19.201 1.881 ( 0.955 -18.477 0.327) 18.504 2.377 ( -1.567 -9.183 2.903) 9.758 2.641 ( 0.286 -21.078 0.547) 21.087 3.557 ( 2.438 -8.920 -3.035) 9.732 4.093 ( -2.638 5.642 1.739) 6.466 4.967 ( 2.510 -2.171 -2.111) 3.933 5.111 ( 0.266 -0.328 -0.943) 1.033 5.270 ( 1.991 -3.942 -4.359) 6.206 5.474 ( 0.262 -1.520 2.026) 2.546 5.881 ( 0.843 -0.437 3.204) 3.342 6.027 ( -0.381 -1.123 0.039) 1.186 6.241 ( 0.011 0.267 -1.098) 1.130 6.370 ( 0.408 -2.620 1.812) 3.211 6.550 ( -2.420 4.641 1.338) 5.402 6.858 ( 1.649 3.614 -0.535) 4.008 7.284 ( -0.554 2.355 0.614) 2.496 7.448 ( -0.235 4.490 0.088) 4.497 ======================= Grid point 270 (113/477) ======================= q-point: (-0.36 -0.71 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.358 -19.492 5.526) 20.263 2.257 ( 2.692 -18.663 -2.895) 19.077 2.529 ( -2.463 -5.867 4.834) 7.991 3.004 ( 0.245 -14.090 2.454) 14.304 3.695 ( 5.742 -4.118 -4.431) 8.340 4.027 ( -5.751 0.383 7.670) 9.595 5.011 ( 1.947 -1.972 -2.532) 3.754 5.095 ( 0.730 1.882 -1.718) 2.650 5.345 ( 3.724 -4.928 -5.539) 8.297 5.568 ( 0.006 -6.368 3.713) 7.371 5.886 ( 1.770 1.445 0.081) 2.286 6.066 ( -1.202 -1.406 2.313) 2.962 6.285 ( 0.730 -5.275 -0.895) 5.400 6.423 ( 0.777 -1.617 0.389) 1.835 6.460 ( -2.139 3.031 1.752) 4.103 6.791 ( 0.765 3.902 0.504) 4.008 7.244 ( 0.200 1.714 0.412) 1.775 7.380 ( -0.078 2.143 -0.193) 2.153 ======================= Grid point 271 (114/477) ======================= q-point: (-0.29 -0.71 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -1.438 -17.482 4.889) 18.210 2.442 ( -0.202 4.114 1.902) 4.537 2.728 ( 0.512 -17.646 -0.968) 17.680 3.182 ( 1.334 -2.564 0.115) 2.893 3.791 ( 4.540 -4.513 -0.095) 6.402 4.017 ( -6.183 0.655 7.949) 10.092 5.025 ( -0.705 0.744 -3.982) 4.112 5.075 ( 3.693 -0.249 -1.792) 4.113 5.478 ( 3.921 -7.461 -4.681) 9.642 5.697 ( 0.587 -3.898 1.730) 4.304 5.865 ( 1.001 -0.191 -0.838) 1.319 6.052 ( -2.068 2.845 3.763) 5.151 6.378 ( -1.829 -0.378 0.905) 2.075 6.429 ( 1.574 -3.587 -1.722) 4.279 6.487 ( 0.739 -3.570 1.291) 3.867 6.723 ( -0.120 3.438 0.920) 3.561 7.226 ( 0.561 0.382 0.260) 0.726 7.360 ( 0.388 0.037 -0.815) 0.904 ======================= Grid point 272 (115/477) ======================= q-point: (-0.21 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -1.477 13.382 4.086) 14.070 2.475 ( -2.423 -13.486 2.926) 14.011 3.039 ( 0.922 -6.241 -4.533) 7.769 3.122 ( 3.043 2.649 -2.636) 4.819 3.881 ( -4.800 -0.409 4.187) 6.382 4.022 ( 0.001 -4.103 4.688) 6.230 4.981 ( -0.097 2.101 -3.223) 3.849 5.097 ( 3.667 -0.305 -3.556) 5.117 5.619 ( 2.617 -5.725 -3.518) 7.211 5.684 ( 2.877 3.869 -6.071) 7.752 5.937 ( -1.777 -2.018 3.870) 4.712 5.971 ( -2.728 1.814 3.941) 5.125 6.374 ( 0.613 -0.002 -0.347) 0.704 6.474 ( -0.399 -1.381 -0.435) 1.502 6.582 ( 0.280 -3.949 0.448) 3.984 6.661 ( -0.354 2.970 0.250) 3.001 7.239 ( 0.388 -1.322 -0.299) 1.410 7.367 ( 0.563 -0.653 -1.480) 1.713 ======================= Grid point 273 (116/477) ======================= q-point: (-0.14 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -1.481 16.385 4.845) 17.150 2.639 ( -1.212 -0.449 -3.142) 3.398 2.808 ( -0.741 13.186 -1.265) 13.267 3.238 ( 0.351 -1.460 -3.273) 3.601 3.833 ( -4.064 0.286 -2.367) 4.712 4.143 ( -1.751 -4.328 5.858) 7.491 4.919 ( 1.490 3.640 -2.747) 4.797 5.111 ( 2.884 -0.748 -3.784) 4.816 5.580 ( 2.604 4.973 -8.385) 10.091 5.701 ( 0.403 -1.802 -2.296) 2.947 5.831 ( -1.609 5.901 1.622) 6.328 6.059 ( -2.664 -4.300 4.297) 6.637 6.373 ( 2.130 0.713 -1.737) 2.840 6.494 ( -1.934 -0.957 1.496) 2.625 6.565 ( -1.120 3.695 -2.516) 4.608 6.670 ( 0.181 -3.254 0.403) 3.284 7.270 ( -0.459 -1.899 -1.175) 2.280 7.381 ( 0.593 -0.898 -1.322) 1.705 ======================= Grid point 274 (117/477) ======================= q-point: (-0.07 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -1.164 17.510 4.881) 18.215 2.320 ( 0.003 22.394 -5.200) 22.990 2.704 ( -2.834 4.005 -2.153) 5.358 3.110 ( -2.292 12.422 -2.221) 12.825 3.810 ( -2.094 0.886 -5.441) 5.897 4.186 ( -3.341 -1.265 2.991) 4.659 4.846 ( 3.621 4.314 -2.346) 6.101 5.138 ( 1.437 -1.465 -2.909) 3.560 5.486 ( 2.173 2.703 -8.986) 9.632 5.657 ( -2.557 3.898 -1.687) 4.958 5.767 ( 0.004 1.085 1.094) 1.541 6.099 ( -2.432 0.170 2.769) 3.689 6.356 ( 2.030 1.715 -1.947) 3.294 6.426 ( -3.065 4.262 -1.416) 5.437 6.562 ( -1.206 -3.288 0.390) 3.524 6.744 ( 0.369 -4.176 -1.127) 4.342 7.298 ( -1.101 -2.058 -1.484) 2.765 7.403 ( 0.441 -1.403 -0.344) 1.510 ======================= Grid point 280 (118/477) ======================= q-point: ( 0.36 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -3.768 0.000 8.949) 9.710 1.029 ( -7.165 0.000 19.399) 20.680 1.042 ( 6.355 -0.000 1.542) 6.540 2.554 ( 1.958 -0.000 -7.609) 7.857 2.998 ( 4.312 -0.000 -8.282) 9.337 4.482 ( 2.729 -0.000 -7.348) 7.838 4.492 ( -1.592 0.000 4.505) 4.778 4.829 ( 2.321 -0.000 -1.860) 2.974 5.165 ( -1.478 0.000 2.168) 2.624 5.330 ( -4.189 0.000 9.794) 10.652 5.987 ( -0.717 0.000 -1.672) 1.820 6.208 ( -2.498 0.000 5.163) 5.736 6.594 ( 6.155 -0.000 -8.716) 10.670 6.673 ( 0.843 -0.000 -0.849) 1.196 6.777 ( -0.084 0.000 1.674) 1.676 6.915 ( -2.569 0.000 3.475) 4.322 7.391 ( -2.203 0.000 2.236) 3.139 7.655 ( 1.358 -0.000 1.802) 2.257 ======================= Grid point 281 (119/477) ======================= q-point: ( 0.43 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -1.377 -5.842 7.093) 9.292 1.037 ( 0.265 -2.965 -0.214) 2.985 1.182 ( -4.961 -12.430 16.689) 21.393 2.480 ( 1.818 5.234 -8.981) 10.553 3.052 ( 3.363 -5.400 -7.583) 9.898 4.437 ( 1.630 2.658 -5.767) 6.556 4.618 ( -1.105 -10.392 2.071) 10.654 4.837 ( 2.040 -0.484 -2.171) 3.018 5.197 ( -1.597 -2.554 0.710) 3.095 5.346 ( -3.547 -1.329 10.479) 11.142 5.986 ( 0.150 -0.768 -2.393) 2.518 6.197 ( -2.057 1.785 4.557) 5.309 6.462 ( 3.670 11.380 -4.671) 12.837 6.594 ( 0.428 7.201 -1.029) 7.287 6.768 ( -0.374 1.370 0.137) 1.426 6.948 ( -0.740 -1.900 1.025) 2.283 7.385 ( -1.965 0.141 1.720) 2.615 7.660 ( 0.575 0.759 1.062) 1.427 ======================= Grid point 282 (120/477) ======================= q-point: ( 0.50 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.517 -1.212 2.816) 3.109 1.256 ( -0.284 -13.559 3.912) 14.115 1.570 ( -5.294 -24.325 11.424) 27.390 2.360 ( 2.164 3.842 -9.507) 10.480 3.183 ( 2.375 -8.325 -5.420) 10.214 4.350 ( 0.840 5.334 -4.728) 7.177 4.852 ( 0.401 -11.246 0.326) 11.258 4.866 ( 1.145 -3.305 -1.920) 3.990 5.209 ( -1.611 0.491 0.811) 1.869 5.424 ( -1.657 -4.252 7.801) 9.037 5.990 ( 0.559 1.300 -0.882) 1.668 6.097 ( -0.449 7.569 -2.951) 8.136 6.306 ( 0.580 3.266 3.200) 4.609 6.433 ( 0.123 8.040 -0.373) 8.049 6.719 ( -0.897 3.308 0.174) 3.431 6.958 ( 0.861 0.880 -0.722) 1.428 7.367 ( -1.523 1.349 1.341) 2.436 7.627 ( -0.099 3.140 0.286) 3.155 ======================= Grid point 283 (121/477) ======================= q-point: (-0.43 -0.64 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.312 -12.515 4.412) 13.274 1.552 ( -0.914 -15.896 3.332) 16.267 2.076 ( -3.491 -24.550 9.266) 26.471 2.346 ( 3.280 -5.302 -7.551) 9.792 3.366 ( 2.301 -10.336 -2.922) 10.985 4.217 ( 0.126 7.078 -2.492) 7.505 4.915 ( 1.187 -3.064 -2.970) 4.430 5.063 ( 0.501 -6.890 0.961) 6.974 5.200 ( 0.560 -1.349 -0.771) 1.651 5.488 ( 0.297 -0.019 4.004) 4.015 5.905 ( -0.711 3.399 3.114) 4.664 6.024 ( 0.262 0.550 -3.464) 3.517 6.277 ( 0.206 3.106 0.056) 3.113 6.344 ( 0.202 -0.078 3.422) 3.429 6.635 ( -1.420 4.635 0.773) 4.909 6.927 ( 1.489 2.567 -0.724) 3.055 7.327 ( -0.934 2.169 1.038) 2.580 7.544 ( -0.339 5.009 -0.021) 5.020 ======================= Grid point 284 (122/477) ======================= q-point: (-0.36 -0.64 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.357 -18.698 6.384) 19.761 1.890 ( 0.087 -18.498 0.655) 18.509 2.390 ( 0.002 -9.021 3.793) 9.786 2.658 ( 1.052 -21.667 2.180) 21.802 3.577 ( 3.755 -9.597 -1.851) 10.470 4.081 ( -1.383 5.577 1.830) 6.030 4.967 ( 0.424 -2.617 -2.966) 3.978 5.113 ( 0.711 0.003 -0.159) 0.729 5.279 ( 3.579 -3.735 -2.936) 5.948 5.499 ( 1.056 -1.559 3.352) 3.845 5.906 ( -0.442 -0.677 3.795) 3.880 6.024 ( -0.128 -1.644 -0.036) 1.650 6.240 ( 0.708 0.096 -0.693) 0.996 6.388 ( 0.543 -2.211 2.102) 3.098 6.535 ( -1.700 4.794 1.274) 5.243 6.873 ( 1.181 3.638 0.174) 3.829 7.285 ( -0.158 2.100 0.829) 2.263 7.445 ( -0.193 4.460 -0.014) 4.464 ======================= Grid point 285 (123/477) ======================= q-point: (-0.29 -0.64 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -1.847 -18.814 6.717) 20.063 2.272 ( 2.749 -19.307 -1.980) 19.601 2.540 ( -1.029 -4.633 4.984) 6.883 3.030 ( 0.914 -13.742 3.526) 14.216 3.742 ( 6.898 -4.917 -3.549) 9.184 4.018 ( -4.874 0.960 8.473) 9.822 5.001 ( -0.406 -1.575 -3.074) 3.478 5.102 ( 1.903 1.389 -1.175) 2.633 5.362 ( 4.930 -4.875 -4.532) 8.283 5.599 ( 0.603 -5.917 4.703) 7.583 5.900 ( 0.558 1.882 0.217) 1.974 6.069 ( -1.043 -1.334 2.670) 3.162 6.292 ( 1.121 -4.971 -0.558) 5.126 6.433 ( 0.665 -0.066 -0.049) 0.671 6.455 ( -1.054 1.142 2.517) 2.958 6.802 ( 0.252 4.201 0.989) 4.323 7.252 ( 0.523 1.573 0.769) 1.827 7.380 ( 0.281 2.107 -0.224) 2.138 ======================= Grid point 286 (124/477) ======================= q-point: (-0.21 -0.64 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -3.491 -16.808 5.518) 18.031 2.463 ( 1.517 5.325 2.206) 5.960 2.730 ( 1.000 -17.780 -0.852) 17.828 3.201 ( 1.653 -1.758 0.366) 2.440 3.843 ( 4.080 -3.029 0.645) 5.122 4.006 ( -4.954 0.610 8.252) 9.645 4.993 ( -0.706 0.617 -3.345) 3.474 5.101 ( 3.256 -0.291 -2.518) 4.126 5.498 ( 4.491 -6.963 -3.952) 9.180 5.717 ( 0.969 -2.555 1.622) 3.178 5.868 ( 0.182 -0.277 -0.495) 0.596 6.053 ( -2.215 3.154 4.117) 5.640 6.365 ( -1.219 -1.115 0.214) 1.666 6.438 ( 1.668 -2.163 -1.337) 3.041 6.507 ( 0.942 -3.827 1.917) 4.382 6.725 ( -0.554 3.747 1.097) 3.944 7.236 ( 0.778 0.584 0.551) 1.119 7.361 ( 0.642 0.218 -0.895) 1.122 ======================= Grid point 287 (125/477) ======================= q-point: (-0.14 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.405 13.786 3.899) 14.332 2.457 ( -4.155 -12.897 3.224) 13.928 3.025 ( 1.329 -3.999 -3.970) 5.790 3.135 ( 2.571 2.109 -3.341) 4.714 3.852 ( -4.779 3.217 4.286) 7.181 4.053 ( -0.183 -5.151 4.583) 6.897 4.963 ( 0.394 1.356 -2.711) 3.057 5.113 ( 3.435 0.054 -4.083) 5.336 5.629 ( 2.922 -4.710 -3.244) 6.422 5.675 ( 2.614 4.791 -6.426) 8.432 5.942 ( -1.780 -0.303 4.170) 4.544 5.964 ( -2.848 0.621 3.777) 4.771 6.380 ( 0.637 -0.756 -0.234) 1.016 6.465 ( -0.482 -0.873 -0.549) 1.139 6.589 ( 0.432 -2.267 0.385) 2.339 6.658 ( -0.469 2.707 0.292) 2.763 7.241 ( 0.332 -0.601 -0.303) 0.751 7.365 ( 0.622 -0.516 -1.460) 1.669 ======================= Grid point 288 (126/477) ======================= q-point: (-0.07 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.396 16.680 4.295) 17.229 2.599 ( -2.335 0.135 -2.926) 3.746 2.788 ( -1.256 13.764 -1.329) 13.885 3.219 ( 0.102 -0.076 -3.388) 3.390 3.775 ( -3.140 0.900 -2.598) 4.174 4.151 ( -3.323 -2.878 5.551) 7.081 4.924 ( 2.237 2.606 -2.299) 4.133 5.118 ( 2.786 -0.388 -4.208) 5.062 5.553 ( 2.398 5.549 -8.830) 10.701 5.692 ( 0.206 -0.239 -1.699) 1.728 5.824 ( -1.003 5.405 1.177) 5.621 6.056 ( -2.477 -3.959 3.971) 6.129 6.387 ( 2.079 0.680 -1.433) 2.615 6.478 ( -2.515 -0.481 1.440) 2.937 6.534 ( -1.336 4.116 -2.657) 5.078 6.677 ( 0.712 -2.786 0.257) 2.887 7.256 ( -0.586 -1.218 -1.287) 1.867 7.378 ( 0.391 -1.049 -1.197) 1.639 ======================= Grid point 295 (127/477) ======================= q-point: ( 0.43 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -5.108 0.000 6.534) 8.294 1.033 ( -6.514 0.000 8.581) 10.774 1.123 ( 0.789 -0.000 8.551) 8.588 2.521 ( 2.223 -0.000 -9.746) 9.996 2.989 ( 4.098 -0.000 -9.356) 10.214 4.464 ( 2.783 -0.000 -7.662) 8.151 4.500 ( -1.983 0.000 4.372) 4.801 4.834 ( 1.133 -0.000 -2.671) 2.902 5.159 ( -1.602 0.000 1.471) 2.175 5.349 ( -4.017 0.000 10.683) 11.414 5.967 ( -0.316 0.000 -2.771) 2.789 6.217 ( -2.003 0.000 5.641) 5.987 6.610 ( 6.649 -0.000 -9.078) 11.253 6.669 ( 0.180 -0.000 -2.233) 2.240 6.781 ( -0.612 0.000 0.953) 1.133 6.904 ( -3.359 0.000 3.539) 4.880 7.377 ( -2.084 0.000 1.234) 2.422 7.671 ( 0.020 -0.000 0.710) 0.711 ======================= Grid point 296 (128/477) ======================= q-point: (-0.50 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -3.049 -7.720 4.917) 9.647 1.008 ( -4.353 -3.953 -0.382) 5.892 1.231 ( -4.765 -10.090 14.824) 18.554 2.440 ( 2.566 5.346 -10.915) 12.422 3.040 ( 3.476 -5.516 -8.337) 10.583 4.421 ( 2.419 2.902 -6.352) 7.390 4.620 ( -1.161 -10.424 2.550) 10.794 4.836 ( 0.699 -0.760 -2.871) 3.051 5.184 ( -1.646 -2.228 1.003) 2.946 5.374 ( -3.507 -1.756 10.471) 11.181 5.969 ( 0.057 -1.174 -3.255) 3.461 6.204 ( -1.752 2.577 4.405) 5.395 6.474 ( 3.508 11.147 -4.354) 12.470 6.587 ( 0.152 6.895 -1.875) 7.147 6.764 ( -0.404 1.607 -0.045) 1.658 6.943 ( -1.174 -2.514 0.698) 2.861 7.373 ( -1.788 -0.093 1.002) 2.052 7.663 ( -0.682 0.906 0.038) 1.135 ======================= Grid point 297 (129/477) ======================= q-point: (-0.43 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -2.673 -2.704 1.955) 4.276 1.263 ( -2.493 -14.471 3.385) 15.070 1.586 ( -5.259 -23.928 12.071) 27.312 2.328 ( 3.535 3.013 -10.436) 11.423 3.178 ( 2.887 -8.898 -5.575) 10.890 4.334 ( 2.122 5.392 -5.319) 7.865 4.854 ( -0.736 -4.396 -2.310) 5.020 4.867 ( 1.576 -10.581 0.776) 10.726 5.202 ( -1.322 0.107 2.172) 2.545 5.454 ( -1.919 -4.333 7.452) 8.831 5.984 ( 0.134 -0.479 -2.055) 2.114 6.073 ( -0.619 9.250 -2.418) 9.581 6.335 ( 0.752 3.293 3.305) 4.726 6.434 ( 0.294 7.348 -0.179) 7.356 6.712 ( -0.504 3.483 0.183) 3.524 6.962 ( 0.517 0.324 -0.622) 0.872 7.358 ( -1.240 1.096 1.025) 1.947 7.620 ( -1.000 3.028 -0.448) 3.221 ======================= Grid point 298 (130/477) ======================= q-point: (-0.36 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -1.270 -14.013 5.359) 15.057 1.552 ( -2.781 -16.021 3.535) 16.641 2.103 ( -2.917 -25.111 10.167) 27.247 2.344 ( 4.843 -6.622 -7.287) 10.973 3.380 ( 3.085 -11.229 -2.379) 11.886 4.209 ( 1.636 6.878 -3.018) 7.687 4.896 ( -0.567 -3.179 -3.867) 5.038 5.082 ( 1.097 -6.016 2.070) 6.456 5.211 ( 1.723 -2.508 0.326) 3.061 5.519 ( 0.374 -0.137 4.373) 4.391 5.911 ( -1.860 2.641 3.487) 4.753 6.006 ( 0.504 -0.456 -3.592) 3.656 6.280 ( 0.266 3.606 0.125) 3.618 6.373 ( 0.671 -0.109 3.942) 4.000 6.627 ( -0.693 4.826 0.705) 4.926 6.939 ( 1.056 2.230 -0.217) 2.477 7.326 ( -0.510 1.900 0.993) 2.204 7.536 ( -0.778 4.672 -0.376) 4.752 ======================= Grid point 299 (131/477) ======================= q-point: (-0.29 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -1.796 -18.527 7.512) 20.072 1.892 ( -0.721 -19.245 1.331) 19.305 2.423 ( 1.632 -8.864 3.719) 9.750 2.691 ( 1.529 -22.209 3.364) 22.514 3.616 ( 4.490 -10.501 -0.784) 11.448 4.085 ( 0.140 5.473 1.514) 5.681 4.941 ( -1.227 -2.957 -3.513) 4.753 5.124 ( 1.016 0.112 0.346) 1.079 5.312 ( 4.990 -3.342 -2.196) 6.394 5.537 ( 1.367 -1.848 4.100) 4.700 5.918 ( -2.136 -0.693 4.504) 5.033 6.024 ( 0.163 -2.444 -0.004) 2.449 6.247 ( 1.207 -0.194 -0.441) 1.300 6.409 ( 0.614 -1.637 2.443) 3.005 6.529 ( -0.678 4.874 1.189) 5.063 6.887 ( 0.614 3.701 0.733) 3.823 7.291 ( 0.308 1.820 0.962) 2.081 7.443 ( -0.187 4.112 -0.156) 4.119 ======================= Grid point 300 (132/477) ======================= q-point: (-0.21 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -4.120 -17.880 7.325) 19.757 2.293 ( 2.708 -20.394 -1.044) 20.600 2.569 ( 0.851 -3.301 4.407) 5.571 3.067 ( 1.289 -13.218 4.020) 13.876 3.802 ( 7.131 -5.357 -2.885) 9.374 4.024 ( -3.752 1.604 8.740) 9.645 4.970 ( -1.375 -1.613 -3.072) 3.732 5.117 ( 2.023 1.065 -1.267) 2.613 5.396 ( 5.748 -4.569 -4.034) 8.377 5.639 ( 0.786 -5.382 5.057) 7.427 5.901 ( -0.867 2.100 0.447) 2.315 6.076 ( -0.972 -1.146 3.150) 3.491 6.301 ( 1.098 -4.059 -0.684) 4.260 6.440 ( 1.229 0.961 -0.607) 1.674 6.468 ( -0.210 -0.549 3.481) 3.530 6.809 ( -0.328 4.527 1.335) 4.731 7.265 ( 0.853 1.476 1.019) 1.986 7.383 ( 0.539 1.982 -0.381) 2.090 ======================= Grid point 301 (133/477) ======================= q-point: (-0.14 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -5.684 -16.141 5.899) 18.100 2.503 ( 2.978 6.147 2.114) 7.150 2.740 ( 1.712 -17.664 -0.646) 17.759 3.223 ( 1.760 -0.580 0.157) 1.860 3.890 ( 2.954 -0.524 1.670) 3.433 4.009 ( -3.593 0.154 7.591) 8.400 4.968 ( -0.324 0.018 -2.743) 2.762 5.116 ( 2.617 -0.225 -3.139) 4.093 5.527 ( 4.835 -6.257 -3.748) 8.750 5.737 ( 1.125 -0.581 0.850) 1.525 5.864 ( -0.728 -1.160 0.311) 1.404 6.055 ( -2.392 3.620 4.566) 6.299 6.354 ( -0.448 -1.585 -0.554) 1.738 6.449 ( 1.520 -0.992 -0.963) 2.055 6.532 ( 1.211 -3.741 2.272) 4.542 6.724 ( -1.046 4.050 1.177) 4.345 7.250 ( 0.885 0.938 0.683) 1.459 7.363 ( 0.892 0.446 -1.012) 1.420 ======================= Grid point 302 (134/477) ======================= q-point: (-0.07 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 1.523 13.599 3.609) 14.152 2.424 ( -5.346 -11.947 3.650) 13.588 3.020 ( 2.000 -1.854 -3.334) 4.307 3.137 ( 2.008 2.098 -4.117) 5.039 3.831 ( -3.675 5.742 4.641) 8.247 4.072 ( -1.424 -4.715 4.124) 6.424 4.957 ( 1.207 0.591 -1.972) 2.387 5.121 ( 2.777 0.160 -4.654) 5.422 5.643 ( 3.269 -3.060 -3.630) 5.764 5.662 ( 2.266 5.025 -6.154) 8.261 5.948 ( -2.247 5.479 4.118) 7.213 5.957 ( -2.387 -4.679 3.958) 6.577 6.384 ( 0.341 -1.548 -0.282) 1.610 6.458 ( -0.036 0.005 -0.547) 0.548 6.595 ( 0.171 0.336 0.248) 0.451 6.655 ( -0.390 1.424 0.392) 1.527 7.242 ( 0.195 0.259 -0.397) 0.513 7.364 ( 0.783 -0.294 -1.333) 1.574 ======================= Grid point 310 (135/477) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -6.599 0.000 4.465) 7.967 0.993 ( -7.485 0.000 3.690) 8.345 1.165 ( -4.286 0.000 10.770) 11.592 2.482 ( 2.997 -0.000 -11.604) 11.985 2.972 ( 4.046 -0.000 -10.366) 11.127 4.449 ( 3.538 -0.000 -8.153) 8.887 4.503 ( -2.477 0.000 4.309) 4.970 4.822 ( 0.052 -0.000 -3.044) 3.044 5.148 ( -1.617 0.000 0.825) 1.816 5.373 ( -4.180 0.000 10.987) 11.755 5.945 ( -0.223 0.000 -3.240) 3.248 6.233 ( -1.678 0.000 5.841) 6.077 6.629 ( 6.906 -0.000 -9.155) 11.467 6.650 ( -0.367 0.000 -3.271) 3.292 6.775 ( -1.151 0.000 0.116) 1.157 6.885 ( -4.005 0.000 3.514) 5.328 7.360 ( -1.836 0.000 0.443) 1.888 7.664 ( -1.388 0.000 -0.257) 1.412 ======================= Grid point 311 (136/477) ======================= q-point: (-0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -5.927 0.853 0.633) 6.022 0.945 ( -5.381 -14.988 1.156) 15.967 1.256 ( -7.701 -9.887 14.698) 19.316 2.401 ( 3.702 5.127 -12.391) 13.911 3.025 ( 3.642 -5.980 -9.012) 11.413 4.412 ( 3.618 2.935 -7.153) 8.536 4.623 ( -1.292 -11.044 2.945) 11.502 4.819 ( -0.235 -0.855 -3.196) 3.317 5.174 ( -1.447 -2.556 1.408) 3.257 5.397 ( -3.974 -1.820 9.913) 10.834 5.948 ( 0.059 -1.353 -3.410) 3.669 6.211 ( -1.677 3.898 3.780) 5.683 6.485 ( 2.708 10.271 -3.359) 11.141 6.575 ( 0.160 6.390 -2.389) 6.824 6.759 ( -0.144 1.431 -0.430) 1.502 6.931 ( -1.509 -3.282 0.303) 3.625 7.359 ( -1.503 -0.416 0.476) 1.631 7.646 ( -1.892 0.864 -0.758) 2.214 ======================= Grid point 312 (137/477) ======================= q-point: (-0.36 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -4.321 -5.558 1.519) 7.202 1.245 ( -4.691 -15.305 3.695) 16.429 1.600 ( -6.074 -24.589 12.252) 28.136 2.308 ( 5.115 1.661 -10.980) 12.226 3.177 ( 3.283 -9.856 -5.740) 11.869 4.330 ( 3.582 5.308 -6.133) 8.866 4.819 ( -2.066 -3.467 -3.399) 5.276 4.900 ( 2.676 -12.096 1.976) 12.545 5.206 ( -1.016 -0.402 3.272) 3.449 5.474 ( -2.416 -4.805 6.775) 8.651 5.969 ( 0.053 -1.414 -2.738) 3.082 6.052 ( -0.870 10.002 -1.522) 10.154 6.360 ( 0.123 4.050 2.413) 4.716 6.441 ( 0.705 5.637 1.089) 5.784 6.710 ( 0.058 3.490 0.040) 3.491 6.962 ( 0.197 -0.363 -0.599) 0.727 7.352 ( -0.888 0.708 0.781) 1.379 7.600 ( -1.805 2.605 -0.962) 3.312 ======================= Grid point 313 (138/477) ======================= q-point: (-0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -2.565 -15.781 5.972) 17.067 1.535 ( -4.501 -16.719 4.128) 17.800 2.137 ( -2.743 -26.319 10.401) 28.432 2.362 ( 6.359 -7.824 -7.171) 12.373 3.404 ( 3.505 -12.457 -2.013) 13.096 4.215 ( 3.232 6.570 -3.748) 8.225 4.856 ( -1.890 -3.351 -4.159) 5.666 5.111 ( 1.073 -4.107 2.746) 5.056 5.242 ( 3.253 -4.540 0.449) 5.604 5.551 ( 0.249 -0.785 4.482) 4.557 5.908 ( -2.964 1.912 4.116) 5.420 5.990 ( 0.680 -1.152 -3.522) 3.767 6.285 ( 0.277 3.348 0.196) 3.365 6.408 ( 0.709 0.279 4.385) 4.451 6.628 ( 0.201 4.873 0.471) 4.900 6.948 ( 0.562 1.882 0.121) 1.968 7.329 ( -0.037 1.518 0.934) 1.783 7.522 ( -1.165 4.033 -0.625) 4.244 ======================= Grid point 314 (139/477) ======================= q-point: (-0.21 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -4.247 -17.979 7.934) 20.105 1.893 ( -0.902 -20.625 1.987) 20.740 2.472 ( 3.087 -8.820 2.910) 9.787 2.733 ( 1.653 -22.653 3.872) 23.041 3.665 ( 4.454 -11.438 -0.008) 12.274 4.104 ( 1.781 5.341 0.796) 5.686 4.898 ( -2.147 -3.306 -3.612) 5.346 5.138 ( 1.069 0.128 0.465) 1.172 5.360 ( 5.851 -2.748 -2.243) 6.842 5.579 ( 1.224 -2.273 4.124) 4.865 5.914 ( -3.860 -0.435 4.935) 6.280 6.029 ( 0.452 -3.401 0.369) 3.451 6.260 ( 1.392 -0.492 -0.332) 1.514 6.433 ( 0.569 -1.005 2.744) 2.977 6.535 ( 0.472 4.762 1.023) 4.893 6.896 ( -0.006 3.793 1.051) 3.935 7.304 ( 0.794 1.532 1.032) 2.011 7.439 ( -0.273 3.547 -0.345) 3.574 ======================= Grid point 315 (140/477) ======================= q-point: (-0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -6.595 -17.093 7.445) 19.776 2.319 ( 2.719 -21.331 -0.451) 21.509 2.614 ( 2.552 -2.379 3.342) 4.831 3.108 ( 1.307 -12.611 3.889) 13.261 3.862 ( 6.312 -5.496 -2.410) 8.710 4.044 ( -2.381 2.359 8.248) 8.903 4.933 ( -1.578 -2.293 -2.987) 4.083 5.130 ( 1.741 1.231 -1.428) 2.566 5.438 ( 6.017 -4.172 -4.106) 8.395 5.678 ( 0.537 -4.907 4.695) 6.812 5.887 ( -2.131 2.074 0.672) 3.049 6.087 ( -1.049 -0.845 3.678) 3.917 6.308 ( 1.075 -2.867 -1.084) 3.248 6.453 ( 1.774 0.707 -0.728) 2.044 6.493 ( 0.424 -1.014 3.770) 3.926 6.811 ( -0.912 4.851 1.482) 5.154 7.284 ( 1.152 1.483 1.152) 2.203 7.386 ( 0.604 1.742 -0.669) 1.961 ======================= Grid point 316 (141/477) ======================= q-point: (-0.07 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -7.341 -15.735 6.035) 18.383 2.554 ( 3.814 6.445 1.649) 7.668 2.760 ( 2.273 -17.268 -0.503) 17.424 3.242 ( 1.678 0.798 -0.392) 1.899 3.932 ( 2.213 1.752 2.562) 3.812 4.017 ( -3.080 0.126 6.365) 7.072 4.951 ( 0.211 -1.022 -2.264) 2.493 5.120 ( 1.935 0.014 -3.583) 4.072 5.558 ( 4.881 -5.527 -4.020) 8.398 5.751 ( 0.988 1.780 -0.605) 2.124 5.857 ( -1.427 -2.833 1.528) 3.521 6.057 ( -2.572 4.115 4.986) 6.957 6.348 ( 0.363 -1.738 -1.286) 2.192 6.460 ( 1.308 -0.249 -0.488) 1.418 6.561 ( 1.327 -3.326 2.146) 4.175 6.716 ( -1.527 4.344 1.149) 4.746 7.264 ( 0.861 1.492 0.622) 1.831 7.368 ( 1.075 0.542 -1.148) 1.663 ======================= Grid point 325 (142/477) ======================= q-point: (-0.43 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -8.213 0.000 2.918) 8.716 0.911 ( -8.828 0.000 -0.385) 8.836 1.163 ( -9.617 0.000 13.357) 16.459 2.444 ( 4.086 -0.000 -12.837) 13.471 2.950 ( 4.175 -0.000 -11.121) 11.879 4.442 ( 4.554 -0.000 -8.591) 9.723 4.499 ( -3.015 0.000 4.312) 5.262 4.799 ( -0.517 0.000 -3.003) 3.048 5.134 ( -1.490 0.000 0.372) 1.536 5.392 ( -4.761 0.000 10.594) 11.614 5.923 ( 0.075 -0.000 -3.078) 3.079 6.251 ( -1.772 0.000 5.824) 6.088 6.621 ( -0.682 0.000 -3.792) 3.853 6.650 ( 6.903 -0.000 -8.866) 11.237 6.757 ( -1.601 0.000 -0.631) 1.721 6.859 ( -4.393 0.000 3.447) 5.583 7.343 ( -1.467 0.000 0.027) 1.467 7.638 ( -2.585 0.000 -0.874) 2.729 ======================= Grid point 326 (143/477) ======================= q-point: (-0.36 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -8.366 -0.654 -2.042) 8.636 0.896 ( -5.972 -16.618 1.480) 17.720 1.243 ( -11.633 -10.798 15.827) 22.415 2.368 ( 4.992 4.636 -13.221) 14.873 3.008 ( 3.865 -6.627 -9.421) 12.150 4.412 ( 4.853 2.868 -8.013) 9.797 4.626 ( -1.650 -11.634 2.925) 12.109 4.796 ( -0.139 -1.359 -2.741) 3.063 5.169 ( -1.149 -3.392 1.700) 3.964 5.408 ( -4.692 -1.694 9.033) 10.319 5.929 ( 0.384 -1.355 -2.969) 3.286 6.213 ( -1.795 5.463 3.043) 6.506 6.490 ( 1.099 8.813 -2.208) 9.152 6.564 ( 0.484 5.887 -2.032) 6.247 6.757 ( 0.545 1.038 -0.982) 1.529 6.913 ( -1.715 -4.158 -0.097) 4.499 7.346 ( -1.134 -0.745 0.248) 1.380 7.613 ( -2.822 0.695 -1.135) 3.120 ======================= Grid point 327 (144/477) ======================= q-point: (-0.29 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -5.532 -9.186 1.568) 10.837 1.205 ( -6.887 -15.951 4.465) 17.939 1.604 ( -7.122 -26.413 12.239) 29.969 2.304 ( 6.688 -0.013 -11.181) 13.029 3.178 ( 3.516 -11.009 -5.791) 12.927 4.337 ( 4.938 5.078 -7.036) 9.984 4.767 ( -3.051 -3.370 -3.394) 5.673 4.953 ( 4.170 -12.595 2.262) 13.459 5.218 ( -0.888 -0.888 3.647) 3.857 5.486 ( -2.724 -5.733 6.107) 8.808 5.953 ( 0.167 -1.464 -2.501) 2.902 6.034 ( -1.051 10.025 -0.921) 10.122 6.367 ( -0.722 4.796 1.025) 4.958 6.464 ( 0.691 3.702 3.116) 4.888 6.714 ( 0.807 3.384 -0.294) 3.492 6.958 ( -0.104 -1.088 -0.660) 1.276 7.349 ( -0.502 0.246 0.671) 0.874 7.569 ( -2.367 1.993 -1.134) 3.295 ======================= Grid point 328 (145/477) ======================= q-point: (-0.21 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -4.517 -17.076 6.304) 18.754 1.506 ( -5.448 -18.164 4.650) 19.525 2.171 ( -2.870 -27.987 10.121) 29.899 2.395 ( 7.631 -8.680 -7.289) 13.664 3.432 ( 3.506 -13.769 -1.832) 14.326 4.234 ( 4.685 6.137 -4.561) 8.967 4.804 ( -2.646 -3.550 -3.798) 5.834 5.138 ( 0.601 -1.843 2.699) 3.323 5.289 ( 4.772 -6.637 -0.145) 8.176 5.581 ( 0.051 -1.519 4.245) 4.509 5.897 ( -4.325 1.488 5.098) 6.849 5.978 ( 1.263 -1.681 -3.543) 4.120 6.289 ( 0.140 2.743 0.285) 2.761 6.443 ( 0.267 0.684 4.786) 4.842 6.638 ( 1.172 4.779 -0.006) 4.921 6.952 ( 0.030 1.571 0.224) 1.587 7.337 ( 0.418 1.058 0.900) 1.451 7.502 ( -1.442 3.256 -0.711) 3.631 ======================= Grid point 329 (146/477) ======================= q-point: (-0.14 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -7.056 -17.299 7.999) 20.323 1.898 ( -0.470 -22.275 2.122) 22.380 2.527 ( 3.979 -8.905 1.689) 9.899 2.775 ( 1.461 -22.938 3.646) 23.272 3.713 ( 3.705 -12.188 0.362) 12.743 4.135 ( 3.330 5.185 -0.207) 6.165 4.849 ( -2.519 -3.698 -3.390) 5.614 5.153 ( 1.050 0.152 0.322) 1.109 5.412 ( 6.016 -1.986 -2.921) 6.976 5.615 ( 0.804 -2.680 3.525) 4.500 5.894 ( -5.147 -0.209 4.882) 7.097 6.039 ( 0.573 -4.099 1.030) 4.265 6.273 ( 1.294 -0.725 -0.315) 1.517 6.456 ( 0.278 -0.467 2.969) 3.019 6.552 ( 1.510 4.460 0.568) 4.743 6.899 ( -0.602 3.886 1.067) 4.075 7.322 ( 1.207 1.251 1.057) 2.035 7.432 ( -0.450 2.924 -0.551) 3.010 ======================= Grid point 330 (147/477) ======================= q-point: (-0.07 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -8.303 -16.694 7.393) 20.058 2.347 ( 2.604 -21.905 -0.550) 22.066 2.666 ( 3.430 -1.975 2.046) 4.456 3.144 ( 0.985 -12.030 3.206) 12.489 3.910 ( 4.450 -5.372 -1.974) 7.250 4.075 ( -0.732 3.171 6.900) 7.629 4.897 ( -1.453 -3.335 -2.880) 4.640 5.138 ( 1.427 1.700 -1.579) 2.724 5.477 ( 5.788 -3.811 -4.631) 8.335 5.709 ( 0.027 -4.550 3.772) 5.910 5.863 ( -2.939 1.828 0.792) 3.551 6.098 ( -1.316 -0.463 4.100) 4.331 6.313 ( 1.313 -1.993 -1.495) 2.816 6.470 ( 1.656 0.537 -0.265) 1.761 6.522 ( 0.928 -1.203 2.930) 3.300 6.807 ( -1.412 5.138 1.404) 5.510 7.305 ( 1.310 1.652 1.164) 2.408 7.387 ( 0.509 1.367 -1.046) 1.795 ======================= Grid point 340 (148/477) ======================= q-point: (-0.36 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -9.892 0.000 2.284) 10.152 0.790 ( -10.293 0.000 -3.599) 10.904 1.119 ( -14.922 0.000 16.450) 22.209 2.413 ( 5.243 -0.000 -13.244) 14.244 2.926 ( 4.481 -0.000 -11.455) 12.300 4.443 ( 5.466 -0.000 -8.825) 10.380 4.489 ( -3.520 0.000 4.358) 5.602 4.774 ( -0.523 0.000 -2.747) 2.797 5.120 ( -1.225 0.000 0.220) 1.244 5.399 ( -5.503 0.000 9.737) 11.184 5.910 ( 0.726 -0.000 -2.326) 2.436 6.266 ( -2.183 0.000 5.853) 6.247 6.588 ( -0.727 0.000 -3.756) 3.826 6.671 ( 6.310 -0.000 -8.156) 10.312 6.732 ( -1.853 0.000 -1.079) 2.144 6.831 ( -4.232 0.000 3.310) 5.372 7.329 ( -1.019 0.000 0.064) 1.021 7.597 ( -3.331 0.000 -0.935) 3.460 ======================= Grid point 341 (149/477) ======================= q-point: (-0.29 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -9.606 -2.503 -2.832) 10.323 0.829 ( -7.194 -18.811 1.230) 20.177 1.196 ( -15.455 -12.532 17.763) 26.672 2.346 ( 6.204 3.948 -13.386) 15.273 2.993 ( 4.125 -7.287 -9.362) 12.560 4.419 ( 5.777 2.756 -8.855) 10.926 4.619 ( -2.503 -10.326 2.060) 10.823 4.789 ( 1.635 -4.268 -1.305) 4.753 5.169 ( -0.888 -4.376 1.848) 4.832 5.407 ( -5.261 -1.641 8.164) 9.850 5.921 ( 1.020 -1.140 -1.968) 2.493 6.210 ( -1.897 6.914 2.565) 7.614 6.481 ( -0.365 7.418 -1.718) 7.623 6.560 ( 0.155 5.106 -0.329) 5.119 6.760 ( 1.602 0.722 -1.590) 2.370 6.891 ( -1.769 -5.042 -0.425) 5.360 7.337 ( -0.726 -0.999 0.380) 1.292 7.571 ( -3.293 0.504 -0.934) 3.460 ======================= Grid point 342 (150/477) ======================= q-point: (-0.21 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -6.560 -12.853 1.938) 14.560 1.148 ( -8.815 -16.691 5.502) 19.662 1.597 ( -7.776 -28.948 12.266) 32.387 2.317 ( 8.102 -1.758 -11.134) 13.881 3.182 ( 3.577 -12.112 -5.582) 13.808 4.351 ( 5.920 4.654 -7.921) 10.929 4.711 ( -3.401 -3.319 -2.545) 5.390 5.022 ( 5.635 -12.242 1.608) 13.572 5.231 ( -0.757 -1.457 3.351) 3.732 5.492 ( -2.713 -6.970 5.601) 9.344 5.942 ( -0.052 -0.703 -1.106) 1.312 6.017 ( -0.661 9.631 -1.112) 9.718 6.360 ( -1.226 4.634 0.549) 4.825 6.492 ( -0.209 2.578 4.491) 5.183 6.725 ( 1.664 3.261 -0.777) 3.742 6.951 ( -0.390 -1.737 -0.808) 1.955 7.350 ( -0.128 -0.211 0.753) 0.793 7.534 ( -2.581 1.362 -0.869) 3.045 ======================= Grid point 343 (151/477) ======================= q-point: (-0.14 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -6.997 -17.568 6.648) 20.044 1.474 ( -5.229 -20.359 4.583) 21.514 2.200 ( -3.202 -29.649 9.553) 31.314 2.439 ( 8.452 -9.093 -7.658) 14.586 3.458 ( 3.145 -14.886 -1.810) 15.322 4.262 ( 5.792 5.553 -5.319) 9.627 4.751 ( -2.867 -3.619 -2.934) 5.470 5.159 ( 0.340 -0.363 2.073) 2.131 5.345 ( 5.539 -7.613 -1.167) 9.487 5.605 ( -0.247 -2.030 3.536) 4.085 5.874 ( -5.717 1.465 5.658) 8.175 5.976 ( 2.196 -2.079 -3.106) 4.335 6.291 ( -0.179 2.018 0.418) 2.069 6.473 ( -0.610 0.957 4.995) 5.122 6.654 ( 2.077 4.625 -0.702) 5.118 6.951 ( -0.473 1.325 0.060) 1.408 7.349 ( 0.771 0.581 0.923) 1.336 7.481 ( -1.555 2.550 -0.573) 3.042 ======================= Grid point 344 (152/477) ======================= q-point: (-0.07 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -8.951 -16.949 8.052) 20.790 1.907 ( -0.098 -23.687 1.495) 23.734 2.580 ( 4.025 -9.082 0.343) 9.940 2.810 ( 1.044 -22.967 2.755) 23.155 3.751 ( 2.513 -12.578 0.254) 12.830 4.175 ( 4.479 5.021 -1.276) 6.848 4.800 ( -2.470 -4.056 -2.930) 5.580 5.165 ( 1.000 0.245 -0.038) 1.030 5.456 ( 5.578 -1.230 -3.941) 6.939 5.641 ( 0.295 -2.933 2.570) 3.911 5.862 ( -5.746 -0.203 4.581) 7.351 6.053 ( 0.408 -4.312 1.520) 4.590 6.285 ( 1.062 -0.944 -0.339) 1.460 6.475 ( -0.417 -0.187 3.053) 3.087 6.575 ( 2.275 4.174 -0.308) 4.763 6.896 ( -1.084 3.953 0.774) 4.172 7.344 ( 1.468 0.993 1.042) 2.056 7.421 ( -0.674 2.423 -0.717) 2.616 ======================= Grid point 355 (153/477) ======================= q-point: (-0.29 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -11.490 0.000 3.320) 11.960 0.635 ( -11.707 0.000 -5.494) 12.932 1.038 ( -19.792 0.000 20.037) 28.164 2.394 ( 6.247 -0.000 -12.866) 14.303 2.907 ( 4.915 -0.000 -11.272) 12.297 4.452 ( 6.039 -0.000 -8.810) 10.681 4.475 ( -3.882 0.000 4.424) 5.886 4.753 ( -0.212 0.000 -2.632) 2.641 5.110 ( -0.887 0.000 0.406) 0.976 5.392 ( -5.985 0.000 8.859) 10.691 5.913 ( 1.716 -0.000 -0.838) 1.910 6.278 ( -2.577 0.000 6.348) 6.851 6.559 ( -0.525 0.000 -3.227) 3.269 6.684 ( 4.237 -0.000 -6.772) 7.988 6.703 ( -1.830 0.000 -1.093) 2.131 6.810 ( -2.700 0.000 2.707) 3.823 7.321 ( -0.579 0.000 0.547) 0.797 7.554 ( -3.438 0.000 -0.263) 3.448 ======================= Grid point 356 (154/477) ======================= q-point: (-0.21 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -10.426 -5.332 -3.140) 12.124 0.753 ( -8.264 -20.385 2.700) 22.161 1.125 ( -18.190 -15.251 20.192) 31.164 2.338 ( 7.237 3.067 -12.977) 15.171 2.983 ( 4.401 -7.818 -8.693) 12.492 4.427 ( 5.978 2.533 -9.727) 11.694 4.599 ( -2.867 -7.198 1.621) 7.916 4.818 ( 4.522 -9.521 -0.857) 10.575 5.172 ( -0.735 -5.170 1.843) 5.538 5.396 ( -5.400 -1.819 7.651) 9.540 5.930 ( 2.005 -0.564 -0.297) 2.104 6.204 ( -1.857 8.244 2.421) 8.791 6.463 ( -0.924 6.763 -1.258) 6.941 6.560 ( -1.064 3.699 1.760) 4.232 6.773 ( 2.569 0.587 -2.068) 3.350 6.868 ( -1.655 -5.732 -0.566) 5.993 7.335 ( -0.362 -1.131 0.877) 1.476 7.530 ( -3.211 0.446 -0.047) 3.243 ======================= Grid point 357 (155/477) ======================= q-point: (-0.14 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -7.543 -15.850 2.609) 17.746 1.079 ( -9.844 -17.870 6.534) 21.423 1.587 ( -7.809 -31.436 12.478) 34.712 2.345 ( 9.249 -3.231 -10.891) 14.649 3.188 ( 3.499 -12.912 -5.032) 14.293 4.368 ( 6.361 3.898 -8.689) 11.452 4.662 ( -3.062 -3.084 -1.007) 4.462 5.096 ( 6.312 -10.331 -0.027) 12.107 5.244 ( -0.123 -2.710 2.572) 3.738 5.496 ( -2.620 -8.048 4.873) 9.767 5.935 ( -1.472 1.926 1.460) 2.830 6.008 ( 1.119 7.882 -2.293) 8.284 6.348 ( -1.614 4.188 0.813) 4.561 6.514 ( -1.409 1.963 5.184) 5.720 6.741 ( 2.375 3.181 -1.246) 4.161 6.939 ( -0.613 -2.203 -1.018) 2.503 7.355 ( 0.152 -0.588 1.046) 1.210 7.502 ( -2.409 0.893 -0.137) 2.573 ======================= Grid point 358 (156/477) ======================= q-point: (-0.07 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -8.914 -17.665 7.171) 21.046 1.447 ( -4.309 -22.701 3.777) 23.414 2.220 ( -3.683 -30.818 8.861) 32.277 2.486 ( 8.608 -9.008 -8.197) 14.914 3.478 ( 2.541 -15.564 -1.924) 15.887 4.295 ( 6.428 4.844 -5.894) 9.976 4.704 ( -2.649 -3.413 -1.766) 4.668 5.173 ( 0.407 0.308 1.249) 1.349 5.395 ( 5.329 -7.411 -2.476) 9.458 5.618 ( -0.754 -2.470 2.401) 3.526 5.841 ( -6.272 1.642 5.559) 8.540 5.987 ( 2.678 -2.037 -2.248) 4.047 6.290 ( -0.587 1.293 0.590) 1.538 6.491 ( -1.737 1.119 4.702) 5.137 6.675 ( 2.687 4.505 -1.374) 5.422 6.942 ( -0.838 1.166 -0.349) 1.477 7.365 ( 0.924 0.159 0.976) 1.354 7.461 ( -1.451 2.118 -0.167) 2.573 ======================= Grid point 370 (157/477) ======================= q-point: (-0.21 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -12.565 0.000 7.253) 14.509 0.461 ( -12.824 0.000 -5.140) 13.816 0.931 ( -23.729 0.000 24.180) 33.879 2.390 ( 6.960 -0.000 -12.056) 13.921 2.895 ( 5.387 -0.000 -10.587) 11.879 4.459 ( -3.987 0.000 4.514) 6.023 4.466 ( 6.181 -0.000 -8.788) 10.744 4.733 ( -0.251 0.000 -3.218) 3.228 5.106 ( -0.586 0.000 0.873) 1.051 5.379 ( -5.997 0.000 8.460) 10.370 5.944 ( 3.651 -0.000 1.647) 4.005 6.293 ( -2.446 0.000 7.874) 8.246 6.537 ( -0.139 0.000 -2.339) 2.343 6.677 ( 0.835 -0.000 -4.394) 4.473 6.678 ( -1.515 0.000 -0.648) 1.648 6.808 ( 0.115 -0.000 1.231) 1.237 7.323 ( -0.259 0.000 1.422) 1.445 7.521 ( -2.693 0.000 1.319) 2.999 ======================= Grid point 371 (158/477) ======================= q-point: (-0.14 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -10.480 -9.100 -2.202) 14.053 0.681 ( -9.355 -20.150 6.168) 23.056 1.050 ( -18.742 -19.171 22.602) 35.066 2.345 ( 8.222 1.833 -12.079) 14.726 2.983 ( 4.702 -8.126 -7.411) 11.961 4.426 ( 5.033 1.844 -10.329) 11.637 4.584 ( -1.649 -4.337 2.319) 5.187 4.874 ( 7.537 -14.608 -3.936) 16.903 5.175 ( -0.753 -5.603 1.667) 5.894 5.384 ( -5.158 -2.076 7.501) 9.337 5.966 ( 3.641 0.948 1.857) 4.196 6.199 ( -1.731 9.873 2.341) 10.293 6.447 ( -0.998 6.680 -0.164) 6.756 6.560 ( -1.944 2.288 3.765) 4.816 6.790 ( 2.895 0.162 -2.487) 3.820 6.848 ( -1.281 -5.734 -0.295) 5.883 7.340 ( -0.152 -1.130 1.683) 2.033 7.501 ( -2.644 0.770 1.527) 3.149 ======================= Grid point 372 (159/477) ======================= q-point: (-0.07 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -8.071 -17.715 3.757) 19.826 1.013 ( -9.407 -19.476 7.285) 22.823 1.581 ( -7.416 -33.108 12.829) 36.272 2.386 ( 9.870 -3.976 -10.444) 14.909 3.197 ( 3.350 -13.183 -4.202) 14.236 4.383 ( 6.387 2.656 -9.115) 11.443 4.631 ( -2.210 -2.363 0.802) 3.334 5.156 ( 4.889 -6.559 -1.745) 8.364 5.264 ( 1.656 -5.383 1.056) 5.730 5.492 ( -2.854 -8.539 3.243) 9.570 5.923 ( -3.572 6.206 3.317) 7.891 6.017 ( 3.481 4.892 -2.787) 6.619 6.335 ( -1.889 3.989 1.515) 4.667 6.525 ( -2.498 1.852 5.134) 6.002 6.761 ( 2.651 3.119 -1.503) 4.360 6.925 ( -0.632 -2.391 -1.233) 2.764 7.366 ( 0.228 -0.813 1.470) 1.695 7.480 ( -1.906 0.692 0.971) 2.248 ======================= Grid point 385 (160/477) ======================= q-point: (-0.14 -0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( -12.701 0.000 -0.161) 12.702 0.359 ( -11.806 0.000 14.668) 18.830 0.817 ( -25.923 0.000 28.927) 38.843 2.396 ( 7.262 -0.000 -11.331) 13.458 2.894 ( 5.789 -0.000 -9.539) 11.158 4.444 ( -3.774 0.000 4.639) 5.980 4.475 ( 5.595 -0.000 -9.902) 11.373 4.699 ( -2.181 0.000 -3.807) 4.387 5.108 ( -0.412 0.000 1.501) 1.556 5.367 ( -5.665 0.000 8.693) 10.376 6.024 ( 7.858 -0.000 2.967) 8.400 6.334 ( 0.282 -0.000 10.359) 10.363 6.526 ( 0.356 -0.000 -1.260) 1.309 6.654 ( -0.837 0.000 -1.682) 1.879 6.662 ( -0.967 0.000 0.160) 0.980 6.823 ( 1.553 -0.000 0.271) 1.576 7.333 ( -0.143 0.000 2.566) 2.570 7.517 ( -0.560 0.000 3.757) 3.799 ======================= Grid point 386 (161/477) ======================= q-point: (-0.07 -0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( -8.473 -12.427 1.713) 15.138 0.624 ( -10.245 -17.967 11.106) 23.476 0.998 ( -16.504 -23.515 24.134) 37.521 2.372 ( 9.381 0.285 -10.663) 14.205 2.996 ( 5.063 -8.142 -5.841) 11.227 4.412 ( 4.180 0.596 -9.994) 10.849 4.593 ( 0.074 -2.036 2.987) 3.616 4.922 ( 8.501 -19.120 -10.971) 23.627 5.177 ( -0.828 -5.705 1.829) 6.048 5.374 ( -4.967 -1.860 7.092) 8.856 6.032 ( 4.907 4.391 2.520) 7.050 6.193 ( -1.919 11.944 1.743) 12.222 6.442 ( -0.411 6.973 1.452) 7.134 6.567 ( -2.026 2.289 5.658) 6.431 6.801 ( 1.824 -2.316 -2.926) 4.153 6.841 ( 0.172 -3.387 0.433) 3.419 7.352 ( -0.206 -0.988 2.596) 2.785 7.490 ( -2.151 1.699 3.406) 4.372 ======================= Grid point 400 (162/477) ======================= q-point: (-0.07 -0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( -6.165 0.000 11.960) 13.456 0.361 ( -8.038 0.000 21.276) 22.744 0.725 ( -24.926 0.000 33.628) 41.859 2.410 ( 7.554 -0.000 -9.962) 12.502 2.904 ( 6.022 -0.000 -8.362) 10.305 4.434 ( -3.283 0.000 4.788) 5.805 4.448 ( 1.634 -0.000 -12.399) 12.506 4.647 ( -3.942 0.000 1.462) 4.204 5.115 ( -0.396 0.000 2.156) 2.192 5.361 ( -5.433 0.000 8.649) 10.214 6.128 ( 7.573 -0.000 -1.158) 7.662 6.427 ( 6.113 -0.000 0.388) 6.126 6.529 ( 0.889 -0.000 -0.146) 0.901 6.659 ( -0.316 0.000 1.121) 1.165 6.660 ( 2.498 -0.000 2.706) 3.683 6.844 ( 1.723 -0.000 0.186) 1.733 7.351 ( -0.258 0.000 3.503) 3.513 7.553 ( 1.180 -0.000 3.264) 3.471 ======================= Grid point 401 (163/477) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -0.125 0.000 16.339) 16.340 0.852 ( -5.296 0.000 20.710) 21.376 1.361 ( -18.643 0.000 33.480) 38.321 2.258 ( 14.391 -0.000 -12.561) 19.102 2.738 ( 9.239 -0.000 -11.325) 14.615 4.197 ( 7.227 -0.000 -11.954) 13.969 4.542 ( -3.047 0.000 5.946) 6.681 4.749 ( -0.978 0.000 5.964) 6.043 5.196 ( -0.905 0.000 4.363) 4.455 5.536 ( -7.282 0.000 10.175) 12.512 6.117 ( 3.018 -0.000 -4.030) 5.034 6.272 ( 1.234 -0.000 -6.476) 6.593 6.566 ( 2.041 -0.000 1.347) 2.446 6.632 ( -3.854 0.000 -1.928) 4.310 6.720 ( 0.526 -0.000 3.087) 3.132 6.860 ( 3.504 -0.000 -1.420) 3.781 7.443 ( -0.017 0.000 3.203) 3.203 7.623 ( -4.545 0.000 6.342) 7.802 ======================= Grid point 402 (164/477) ======================= q-point: ( 0.07 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.875 -0.501 14.311) 14.347 0.988 ( -6.620 -8.930 19.430) 22.385 1.509 ( -14.910 -14.314 27.272) 34.220 2.278 ( 13.172 1.519 -13.141) 18.668 2.881 ( 7.944 -10.579 -11.606) 17.599 4.212 ( 8.916 -0.851 -12.058) 15.021 4.699 ( -0.896 -10.097 1.166) 10.203 4.763 ( -2.389 -3.336 3.992) 5.725 5.264 ( -1.499 -5.260 4.302) 6.959 5.497 ( -5.959 2.704 8.922) 11.064 6.065 ( -0.514 4.991 -1.886) 5.360 6.167 ( 3.257 6.824 -2.503) 7.965 6.477 ( -0.619 7.461 0.782) 7.527 6.597 ( -3.618 2.247 0.690) 4.314 6.770 ( 0.341 -2.013 -0.007) 2.042 6.871 ( 3.434 0.609 -1.608) 3.841 7.454 ( -0.646 0.147 3.402) 3.466 7.599 ( -2.666 1.600 6.164) 6.903 ======================= Grid point 403 (165/477) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -0.900 -9.670 9.230) 13.398 1.224 ( -6.235 -13.022 16.675) 22.056 1.877 ( -10.766 -22.505 16.339) 29.822 2.275 ( 9.397 0.487 -14.049) 16.909 3.107 ( 4.886 -12.214 -9.805) 16.407 4.243 ( 9.046 -0.566 -12.201) 15.199 4.717 ( -0.047 1.993 3.900) 4.380 4.989 ( -2.765 -13.451 -4.791) 14.544 5.320 ( -3.064 1.720 3.948) 5.285 5.484 ( -2.567 -2.870 4.595) 5.996 5.950 ( -1.243 5.745 3.154) 6.671 6.068 ( 3.200 4.155 -3.270) 6.180 6.341 ( -1.226 5.426 1.624) 5.795 6.515 ( -4.630 3.409 1.658) 5.984 6.774 ( 0.171 1.388 -0.854) 1.639 6.857 ( 2.708 1.850 -2.938) 4.403 7.441 ( -1.329 1.670 2.739) 3.472 7.572 ( -0.163 2.417 3.674) 4.401 ======================= Grid point 404 (166/477) ======================= q-point: ( 0.21 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -3.266 -16.692 5.704) 17.939 1.525 ( -3.936 -16.062 10.862) 19.786 2.300 ( 5.922 -5.077 -14.751) 16.687 2.327 ( -8.542 -23.118 9.008) 26.241 3.352 ( 1.596 -13.715 -7.774) 15.846 4.238 ( 5.577 1.975 -9.429) 11.132 4.704 ( 2.644 0.411 0.749) 2.779 5.146 ( -2.777 -3.824 -2.095) 5.170 5.256 ( -0.464 0.986 -2.509) 2.735 5.534 ( -2.951 -1.878 0.252) 3.507 5.861 ( -1.230 3.570 4.086) 5.563 6.029 ( 1.457 0.545 -1.562) 2.205 6.278 ( -0.294 1.066 0.163) 1.118 6.441 ( -4.832 1.924 2.346) 5.705 6.723 ( 0.188 3.517 0.050) 3.522 6.818 ( 1.624 2.248 -3.556) 4.510 7.394 ( -1.309 2.968 1.137) 3.437 7.518 ( 0.456 3.821 1.664) 4.192 ======================= Grid point 405 (167/477) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -3.624 -18.980 5.357) 20.052 1.861 ( -1.625 -17.424 3.377) 17.822 2.424 ( 1.948 -9.958 -9.219) 13.709 2.742 ( -4.975 -20.035 2.229) 20.763 3.579 ( -1.625 -10.466 -5.345) 11.864 4.191 ( 0.880 1.280 -3.843) 4.145 4.736 ( 5.841 -1.496 -3.648) 7.048 5.116 ( -0.744 2.093 -0.584) 2.297 5.279 ( 0.322 -1.931 -6.808) 7.084 5.540 ( -3.007 -1.937 -0.664) 3.638 5.817 ( 0.076 2.030 2.377) 3.127 6.057 ( -0.743 -3.559 -0.342) 3.651 6.269 ( 0.293 -0.002 -2.298) 2.317 6.405 ( -3.493 0.155 2.671) 4.400 6.651 ( -0.749 3.745 1.182) 3.998 6.769 ( 1.281 2.455 -2.493) 3.726 7.323 ( -1.002 3.514 -0.176) 3.658 7.450 ( 0.312 3.496 0.278) 3.520 ======================= Grid point 406 (168/477) ======================= q-point: ( 0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -2.407 -18.853 6.413) 20.058 2.203 ( 0.161 -17.962 -2.563) 18.145 2.616 ( -0.545 -9.725 -2.546) 10.068 3.036 ( -1.647 -11.202 -1.447) 11.415 3.675 ( -3.864 -3.168 -1.593) 5.245 4.211 ( -2.308 -3.405 1.617) 4.420 4.800 ( 6.694 -2.842 -5.895) 9.361 5.077 ( 0.544 2.179 -1.933) 2.963 5.278 ( 1.715 -1.531 -8.275) 8.588 5.610 ( -1.837 -5.728 0.725) 6.059 5.792 ( 0.954 0.700 0.423) 1.257 6.126 ( -1.749 -2.687 1.133) 3.400 6.287 ( 0.525 -3.596 -3.300) 4.908 6.407 ( -1.594 -1.280 1.378) 2.465 6.572 ( -2.029 4.113 1.621) 4.864 6.727 ( 1.368 2.133 -0.723) 2.635 7.256 ( -0.616 2.503 -0.851) 2.715 7.391 ( 0.286 2.661 -0.802) 2.794 ======================= Grid point 407 (169/477) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.856 -16.891 6.931) 18.278 2.510 ( -0.963 -11.001 -1.718) 11.176 2.747 ( -1.093 -6.778 -0.480) 6.882 3.127 ( 1.512 1.065 -4.119) 4.515 3.747 ( -4.253 -8.064 3.776) 9.868 4.238 ( -3.823 1.117 4.620) 6.100 4.875 ( 5.912 -2.714 -5.912) 8.790 5.025 ( 1.563 2.149 -3.640) 4.507 5.349 ( 3.221 -6.898 -8.653) 11.525 5.648 ( 2.128 2.160 -3.021) 4.281 5.871 ( -2.278 -8.257 4.100) 9.496 6.126 ( -2.258 1.958 3.421) 4.543 6.366 ( 1.674 -2.622 -2.028) 3.713 6.469 ( -0.968 -6.302 -0.704) 6.415 6.485 ( -2.014 3.666 0.913) 4.281 6.693 ( 1.060 2.024 0.251) 2.299 7.220 ( -0.225 0.526 -0.919) 1.082 7.348 ( 0.783 1.483 -1.566) 2.295 ======================= Grid point 408 (170/477) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -2.175 -6.242 5.307) 8.477 2.496 ( -4.384 2.723 6.258) 8.112 2.968 ( 3.352 -6.172 -3.272) 7.748 3.019 ( 1.980 2.268 -5.927) 6.648 3.949 ( -2.829 -11.110 7.017) 13.441 4.153 ( -3.906 5.739 4.424) 8.232 4.914 ( 3.983 0.459 -4.422) 5.969 5.004 ( 2.245 -0.652 -5.833) 6.284 5.498 ( 3.690 -8.122 -7.904) 11.919 5.581 ( 3.256 4.184 -4.583) 7.008 6.031 ( -3.376 -3.111 5.143) 6.894 6.061 ( -2.530 0.536 5.319) 5.914 6.371 ( -0.292 1.934 -0.503) 2.020 6.444 ( 1.174 -0.140 -1.029) 1.568 6.596 ( -0.135 -5.646 -0.229) 5.653 6.662 ( 0.073 1.123 0.117) 1.131 7.229 ( 0.098 -1.690 -0.613) 1.800 7.333 ( 1.428 0.201 -2.034) 2.493 ======================= Grid point 409 (171/477) ======================= q-point: (-0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -9.477 13.744 8.864) 18.902 2.612 ( 2.036 2.476 -0.370) 3.227 2.770 ( 2.043 9.355 -0.727) 9.603 3.200 ( 2.296 -6.121 -4.338) 7.846 3.991 ( -0.116 6.293 1.723) 6.526 4.173 ( -4.077 -6.339 7.530) 10.654 4.875 ( 2.036 3.338 -5.072) 6.405 5.036 ( 1.522 -3.155 -3.876) 5.225 5.478 ( 3.872 5.373 -6.232) 9.094 5.657 ( 2.778 -7.212 -6.281) 9.959 5.924 ( -2.886 6.664 4.281) 8.430 6.159 ( -2.038 -3.180 3.788) 5.349 6.331 ( -0.951 1.192 0.824) 1.733 6.462 ( 2.318 -0.582 -0.970) 2.580 6.604 ( 0.274 2.373 0.189) 2.396 6.720 ( -1.697 -5.222 0.343) 5.501 7.278 ( 0.343 -3.046 -0.188) 3.071 7.338 ( 1.459 -0.444 -2.211) 2.687 ======================= Grid point 410 (172/477) ======================= q-point: (-0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -10.599 15.536 10.420) 21.500 2.329 ( 0.635 19.649 -2.389) 19.804 2.696 ( 2.728 5.898 -2.579) 6.992 3.183 ( 0.305 8.187 -1.263) 8.290 3.893 ( 1.580 4.640 -1.531) 5.135 4.204 ( -1.097 3.142 3.126) 4.566 4.788 ( 0.440 4.176 -5.090) 6.599 5.120 ( -0.219 -4.896 -0.183) 4.905 5.390 ( 4.229 3.055 -6.724) 8.510 5.745 ( -0.344 0.391 -2.133) 2.195 5.822 ( -1.841 0.273 0.232) 1.876 6.172 ( -0.240 1.490 1.143) 1.893 6.311 ( -0.596 1.425 1.082) 1.886 6.483 ( 2.609 -0.335 -0.437) 2.666 6.569 ( -2.011 0.135 1.060) 2.277 6.808 ( -1.735 -4.658 -0.147) 4.973 7.341 ( 0.618 -2.988 0.441) 3.083 7.352 ( 0.582 -1.110 -1.915) 2.288 ======================= Grid point 411 (173/477) ======================= q-point: (-0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -10.453 17.688 9.587) 22.673 1.922 ( -2.823 20.587 1.757) 20.854 2.521 ( 5.072 11.351 -8.528) 15.076 2.889 ( -2.751 20.676 3.134) 21.092 3.734 ( 1.329 13.443 -2.973) 13.832 4.148 ( 5.121 1.187 -5.254) 7.433 4.705 ( -0.569 2.552 -2.918) 3.918 5.178 ( -1.184 -1.603 0.823) 2.156 5.380 ( 3.293 -0.337 -5.681) 6.575 5.676 ( -1.590 2.593 0.744) 3.131 5.858 ( -2.672 -2.737 -0.286) 3.835 6.100 ( -0.615 6.160 1.005) 6.272 6.285 ( 0.462 0.571 -0.687) 1.006 6.506 ( 1.557 -1.215 -0.357) 2.006 6.596 ( -1.868 -3.249 1.550) 4.055 6.873 ( -1.517 -2.970 -1.506) 3.659 7.374 ( 0.418 -1.355 -0.318) 1.453 7.406 ( -0.170 -3.294 0.643) 3.360 ======================= Grid point 412 (174/477) ======================= q-point: (-0.21 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -8.275 20.842 6.005) 23.215 1.531 ( -7.788 17.964 9.491) 21.758 2.307 ( 9.369 10.640 -13.492) 19.571 2.415 ( -6.793 25.360 10.180) 28.158 3.410 ( 3.197 17.646 -6.048) 18.926 4.169 ( 8.626 -0.791 -10.342) 13.490 4.669 ( -1.064 0.335 0.564) 1.250 5.216 ( -1.857 -2.264 2.575) 3.899 5.329 ( 2.738 4.822 -6.097) 8.242 5.630 ( -2.469 3.461 0.805) 4.327 5.893 ( -4.196 -2.901 2.880) 5.859 5.986 ( 1.672 3.467 -0.359) 3.866 6.291 ( -0.297 -1.396 -0.145) 1.435 6.546 ( -1.374 -2.504 1.170) 3.087 6.670 ( 0.915 -4.106 -0.383) 4.224 6.893 ( -1.121 -0.571 -2.585) 2.875 7.403 ( -0.298 -1.335 1.345) 1.919 7.472 ( -0.241 -3.069 1.748) 3.540 ======================= Grid point 413 (175/477) ======================= q-point: (-0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -5.544 17.440 7.274) 19.692 1.199 ( -9.890 15.052 15.585) 23.817 1.896 ( -10.124 24.062 17.710) 31.545 2.201 ( 11.796 3.975 -13.286) 18.206 3.096 ( 6.399 14.477 -8.724) 18.073 4.191 ( 9.023 0.074 -12.357) 15.301 4.678 ( -0.840 -0.817 3.650) 3.834 5.090 ( 0.816 13.302 -5.327) 14.352 5.331 ( -2.790 -1.391 4.760) 5.690 5.502 ( -2.835 5.036 1.861) 6.072 5.963 ( -2.695 -5.571 2.601) 6.713 6.012 ( 3.681 -3.955 -1.415) 5.585 6.347 ( -0.448 -4.828 0.431) 4.868 6.591 ( -3.241 -2.965 2.067) 4.855 6.749 ( 2.482 -2.871 -1.497) 4.080 6.870 ( -0.214 1.439 -2.580) 2.962 7.428 ( -0.696 -0.646 2.929) 3.079 7.532 ( -0.593 -2.468 3.791) 4.563 ======================= Grid point 414 (176/477) ======================= q-point: (-0.07 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -1.840 2.793 15.344) 15.704 0.945 ( -7.728 10.921 19.299) 23.483 1.508 ( -16.337 14.521 28.286) 35.747 2.205 ( 14.281 -0.411 -13.175) 19.434 2.858 ( 8.909 11.211 -11.423) 18.318 4.195 ( 7.766 0.137 -12.260) 14.513 4.687 ( 0.170 4.561 3.298) 5.631 4.781 ( -2.785 11.165 0.493) 11.518 5.252 ( -1.408 5.955 4.471) 7.578 5.510 ( -6.010 -3.183 8.357) 10.774 6.067 ( 2.856 -4.060 -2.122) 5.399 6.156 ( 1.247 -9.250 -2.561) 9.679 6.470 ( 0.756 -6.685 0.642) 6.758 6.633 ( -3.047 -2.317 0.742) 3.899 6.765 ( 0.930 2.727 -0.716) 2.969 6.846 ( 2.698 0.216 -1.506) 3.097 7.438 ( -0.400 0.233 3.432) 3.463 7.590 ( -2.388 -2.741 5.896) 6.927 ======================= Grid point 416 (177/477) ======================= q-point: ( 0.07 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 1.975 -0.000 13.860) 14.000 0.920 ( -4.993 0.000 18.787) 19.439 1.374 ( -16.317 0.000 32.440) 36.313 2.333 ( 12.820 -0.000 -12.764) 18.091 2.768 ( 8.649 -0.000 -11.363) 14.280 4.215 ( 9.171 -0.000 -11.891) 15.017 4.548 ( -2.589 0.000 5.943) 6.482 4.777 ( -0.714 0.000 5.465) 5.511 5.212 ( -1.242 0.000 4.327) 4.501 5.520 ( -6.966 0.000 10.278) 12.416 6.102 ( -0.627 0.000 -4.387) 4.432 6.258 ( 2.010 -0.000 -3.512) 4.046 6.566 ( -5.188 0.000 -1.660) 5.447 6.598 ( 2.068 -0.000 1.245) 2.414 6.746 ( 0.554 -0.000 3.125) 3.174 6.891 ( 3.213 -0.000 -1.080) 3.389 7.462 ( -0.386 0.000 3.130) 3.154 7.616 ( -3.964 0.000 7.201) 8.220 ======================= Grid point 417 (178/477) ======================= q-point: ( 0.14 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 2.891 0.824 11.824) 12.200 1.040 ( -5.627 -8.112 18.293) 20.787 1.516 ( -13.917 -13.085 25.863) 32.153 2.329 ( 10.595 2.809 -13.567) 17.441 2.890 ( 6.955 -9.604 -11.807) 16.733 4.240 ( 9.569 -0.833 -12.459) 15.732 4.687 ( -2.207 -11.857 1.572) 12.162 4.774 ( -1.055 1.102 4.762) 5.000 5.272 ( -1.912 -4.489 3.975) 6.294 5.491 ( -5.534 1.981 9.537) 11.203 6.041 ( -1.579 3.638 -1.399) 4.206 6.190 ( 3.521 6.138 -2.624) 7.547 6.460 ( -3.300 6.230 1.000) 7.121 6.573 ( -1.059 3.723 0.538) 3.908 6.773 ( 0.078 -0.751 0.439) 0.874 6.900 ( 3.172 0.889 -1.365) 3.566 7.465 ( -1.302 0.533 3.308) 3.595 7.612 ( -1.500 0.780 5.687) 5.933 ======================= Grid point 418 (179/477) ======================= q-point: ( 0.21 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 1.098 -6.124 8.517) 10.547 1.267 ( -4.791 -12.300 16.076) 20.801 1.857 ( -10.703 -21.299 15.536) 28.453 2.278 ( 7.146 2.209 -14.341) 16.175 3.094 ( 4.276 -11.447 -10.198) 15.916 4.262 ( 7.825 0.116 -12.125) 14.431 4.744 ( 0.802 1.781 3.407) 3.927 4.933 ( -2.768 -12.631 -2.806) 13.232 5.309 ( -3.249 1.669 3.914) 5.354 5.486 ( -2.548 -1.643 5.246) 6.059 5.961 ( -0.311 4.665 2.727) 5.412 6.076 ( 2.441 4.762 -4.165) 6.781 6.338 ( -1.588 4.855 2.642) 5.750 6.477 ( -3.510 4.093 1.037) 5.490 6.765 ( -0.704 1.280 -0.723) 1.630 6.875 ( 3.216 2.771 -2.409) 4.881 7.441 ( -1.748 2.035 2.636) 3.761 7.594 ( 0.225 2.574 3.056) 4.002 ======================= Grid point 419 (180/477) ======================= q-point: ( 0.29 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -1.344 -14.663 5.877) 15.854 1.556 ( -3.018 -14.849 10.851) 18.637 2.267 ( 4.735 -5.393 -14.353) 16.047 2.290 ( -8.138 -21.563 9.330) 24.865 3.320 ( 1.626 -12.727 -7.718) 14.973 4.232 ( 3.456 2.728 -8.446) 9.525 4.745 ( 4.240 -0.018 -0.389) 4.258 5.103 ( -2.191 -6.140 -2.072) 6.841 5.239 ( -1.091 2.926 -0.397) 3.148 5.507 ( -2.301 -0.454 0.697) 2.447 5.878 ( -0.285 3.756 4.036) 5.521 6.030 ( 0.865 0.590 -2.028) 2.283 6.277 ( -0.173 1.592 0.279) 1.625 6.405 ( -4.044 1.438 2.451) 4.943 6.716 ( -1.404 2.956 0.239) 3.281 6.825 ( 2.995 3.046 -2.903) 5.165 7.386 ( -1.495 3.223 1.316) 3.789 7.533 ( 0.408 4.284 1.259) 4.484 ======================= Grid point 420 (181/477) ======================= q-point: ( 0.36 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -1.746 -18.933 5.496) 19.791 1.869 ( -1.053 -16.024 3.851) 16.514 2.392 ( 1.800 -10.450 -7.147) 12.788 2.707 ( -4.240 -20.213 3.218) 20.902 3.531 ( -0.968 -9.635 -4.846) 10.828 4.172 ( -0.443 1.164 -2.637) 2.917 4.783 ( 6.818 -1.251 -4.377) 8.198 5.108 ( -0.413 1.897 -0.087) 1.943 5.241 ( 0.272 -2.033 -5.904) 6.250 5.509 ( -2.351 -2.284 0.811) 3.377 5.838 ( 0.907 2.166 2.366) 3.333 6.048 ( -0.626 -2.951 -0.105) 3.018 6.255 ( -0.269 0.401 -2.010) 2.067 6.389 ( -2.156 -0.497 2.490) 3.331 6.642 ( -2.185 3.707 1.447) 4.540 6.778 ( 2.508 2.523 -1.842) 4.006 7.313 ( -0.927 3.611 0.261) 3.737 7.454 ( 0.046 3.916 0.150) 3.919 ======================= Grid point 421 (182/477) ======================= q-point: ( 0.43 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.892 -19.511 6.410) 20.556 2.196 ( 0.637 -17.160 -1.232) 17.216 2.600 ( -0.633 -9.854 -0.464) 9.885 3.016 ( -0.850 -11.675 -0.377) 11.712 3.630 ( -2.404 -3.733 -0.959) 4.542 4.194 ( -3.099 -3.512 2.886) 5.502 4.841 ( 7.149 -2.277 -5.883) 9.534 5.072 ( 0.615 2.188 -1.710) 2.845 5.247 ( 1.934 -2.030 -7.444) 7.954 5.601 ( -1.473 -6.464 2.334) 7.029 5.809 ( 1.727 1.454 0.023) 2.257 6.115 ( -1.574 -2.903 1.435) 3.600 6.273 ( 0.281 -4.022 -2.551) 4.771 6.404 ( -0.374 -1.196 1.039) 1.628 6.556 ( -2.722 4.214 1.951) 5.383 6.742 ( 1.806 2.169 -0.234) 2.832 7.247 ( -0.333 2.525 -0.334) 2.569 7.387 ( -0.003 2.716 -0.682) 2.800 ======================= Grid point 422 (183/477) ======================= q-point: ( 0.50 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -0.108 -17.125 6.742) 18.405 2.492 ( -1.305 -9.537 -0.027) 9.626 2.734 ( -0.926 -7.319 0.076) 7.378 3.123 ( 2.041 0.614 -3.478) 4.079 3.736 ( -2.252 -9.317 4.385) 10.541 4.221 ( -4.720 1.080 5.371) 7.231 4.906 ( 6.196 -2.113 -5.998) 8.879 5.017 ( 1.047 2.415 -3.329) 4.243 5.337 ( 3.843 -7.432 -7.686) 11.362 5.653 ( 2.096 2.108 -2.933) 4.176 5.875 ( -1.853 -7.754 4.369) 9.091 6.123 ( -2.141 1.619 3.479) 4.395 6.371 ( 1.722 -3.428 -2.409) 4.530 6.456 ( -1.402 -3.756 0.435) 4.033 6.472 ( -0.993 1.442 0.828) 1.937 6.707 ( 0.981 2.327 0.473) 2.569 7.215 ( 0.053 0.477 -0.527) 0.712 7.347 ( 0.621 1.226 -1.432) 1.985 ======================= Grid point 423 (184/477) ======================= q-point: (-0.43 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -5.881 5.481 6.033) 10.051 2.506 ( -0.997 -8.032 5.313) 9.681 2.981 ( 2.930 -14.245 -4.503) 15.224 3.009 ( 2.622 10.108 -4.483) 11.364 3.970 ( -1.652 -12.208 7.122) 14.230 4.131 ( -4.863 6.166 4.381) 8.992 4.932 ( 4.033 1.884 -4.542) 6.360 4.989 ( 1.795 -1.032 -5.814) 6.171 5.494 ( 4.242 -7.581 -7.555) 11.512 5.585 ( 2.795 3.813 -4.894) 6.804 6.027 ( -3.260 -2.433 5.438) 6.791 6.065 ( -2.640 0.136 4.942) 5.605 6.365 ( -0.237 2.312 -0.385) 2.356 6.452 ( 1.400 -1.121 -1.074) 2.091 6.592 ( -0.376 -6.603 -0.127) 6.615 6.664 ( 0.131 2.566 0.044) 2.570 7.227 ( 0.195 -1.806 -0.567) 1.903 7.336 ( 1.316 0.040 -2.107) 2.485 ======================= Grid point 424 (185/477) ======================= q-point: (-0.36 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -9.219 13.984 8.907) 18.970 2.623 ( 1.369 5.113 -2.191) 5.728 2.786 ( 1.760 7.749 -1.067) 8.018 3.196 ( 2.058 -6.044 -4.680) 7.916 3.986 ( -2.626 6.062 1.407) 6.755 4.181 ( -2.419 -6.464 6.648) 9.583 4.864 ( 2.064 4.428 -5.538) 7.385 5.029 ( 1.519 -3.454 -3.634) 5.239 5.475 ( 3.423 5.022 -7.618) 9.745 5.649 ( 2.496 -6.325 -5.572) 8.791 5.917 ( -3.027 7.011 3.953) 8.599 6.157 ( -2.279 -3.312 3.429) 5.284 6.328 ( -0.351 1.018 0.764) 1.320 6.482 ( 2.173 -1.075 -0.756) 2.539 6.601 ( -0.567 3.231 -0.758) 3.366 6.702 ( -1.665 -5.131 0.210) 5.399 7.277 ( 0.013 -3.157 -0.681) 3.229 7.341 ( 1.543 -0.441 -2.232) 2.749 ======================= Grid point 425 (186/477) ======================= q-point: (-0.29 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -10.085 15.789 10.083) 21.276 2.314 ( 0.124 19.863 -3.607) 20.189 2.703 ( 2.154 6.642 -3.931) 8.013 3.170 ( -0.557 8.341 -2.137) 8.628 3.887 ( -0.829 4.044 -1.825) 4.514 4.213 ( -0.001 2.911 1.590) 3.317 4.764 ( 1.110 4.539 -5.085) 6.907 5.114 ( -0.368 -4.663 -0.625) 4.719 5.387 ( 3.517 2.562 -7.759) 8.896 5.722 ( -0.717 0.232 -2.884) 2.981 5.804 ( -1.927 1.305 0.887) 2.491 6.172 ( -0.774 1.314 0.883) 1.762 6.311 ( -0.214 1.494 0.317) 1.542 6.507 ( 1.418 0.291 0.032) 1.448 6.548 ( -1.708 -0.388 -0.140) 1.757 6.785 ( -1.942 -4.406 -0.562) 4.848 7.331 ( -0.763 -2.642 -1.502) 3.133 7.363 ( 1.659 -1.611 -0.502) 2.366 ======================= Grid point 426 (187/477) ======================= q-point: (-0.21 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -9.777 17.960 8.806) 22.264 1.900 ( -2.803 20.688 1.350) 20.920 2.516 ( 4.428 10.857 -9.864) 15.323 2.869 ( -3.840 20.375 2.296) 20.861 3.719 ( -0.155 13.153 -3.954) 13.736 4.173 ( 5.337 0.348 -5.807) 7.894 4.687 ( 0.397 2.277 -2.502) 3.407 5.166 ( -1.346 -1.892 0.073) 2.324 5.373 ( 2.422 0.048 -6.613) 7.043 5.656 ( -2.136 2.112 -0.306) 3.020 5.829 ( -2.444 -2.477 0.585) 3.528 6.094 ( -0.938 5.965 0.248) 6.043 6.284 ( 0.581 0.565 -1.274) 1.509 6.503 ( -2.639 -0.976 1.257) 3.082 6.598 ( 1.395 -3.585 -0.054) 3.847 6.843 ( -1.724 -2.865 -2.024) 3.909 7.367 ( -0.628 -2.205 -0.897) 2.462 7.416 ( 0.737 -2.853 0.981) 3.105 ======================= Grid point 427 (188/477) ======================= q-point: (-0.14 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -7.382 20.010 5.874) 22.122 1.511 ( -6.607 17.916 9.879) 21.500 2.321 ( 8.626 8.536 -14.283) 18.742 2.396 ( -7.645 24.815 9.570) 27.673 3.401 ( 2.496 16.411 -6.785) 17.933 4.201 ( 8.484 -0.785 -10.370) 13.421 4.667 ( -0.316 -0.337 1.147) 1.236 5.208 ( -2.145 -1.876 1.662) 3.299 5.311 ( 1.478 4.018 -6.730) 7.976 5.602 ( -2.995 3.839 0.314) 4.879 5.867 ( -3.739 -3.065 3.584) 6.018 6.003 ( 1.988 1.678 -0.889) 2.749 6.287 ( -0.389 -1.186 -0.118) 1.253 6.523 ( -4.264 -2.352 2.088) 5.298 6.687 ( 2.668 -4.255 -1.104) 5.143 6.862 ( -1.028 -0.875 -3.066) 3.350 7.405 ( -0.764 -1.902 1.028) 2.293 7.485 ( 0.240 -3.232 2.099) 3.861 ======================= Grid point 428 (189/477) ======================= q-point: (-0.07 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -3.369 13.792 8.772) 16.689 1.199 ( -8.161 13.995 16.504) 23.127 1.891 ( -10.532 23.570 17.216) 31.030 2.246 ( 11.200 1.722 -13.780) 17.841 3.107 ( 5.717 13.261 -9.214) 17.130 4.216 ( 9.283 0.629 -12.191) 15.336 4.695 ( -0.466 -1.616 3.924) 4.270 5.049 ( -1.446 13.684 -5.883) 14.965 5.328 ( -2.862 -1.597 4.247) 5.365 5.487 ( -2.691 4.030 3.444) 5.945 5.951 ( -2.443 -6.145 3.124) 7.313 6.045 ( 3.909 -3.857 -2.331) 5.966 6.344 ( -0.807 -5.315 0.848) 5.442 6.557 ( -4.738 -3.174 2.028) 6.053 6.768 ( 2.045 -2.349 -1.269) 3.363 6.856 ( 0.932 0.023 -2.956) 3.099 7.436 ( -0.966 -1.153 2.804) 3.182 7.551 ( -0.465 -2.476 3.976) 4.707 ======================= Grid point 431 (190/477) ======================= q-point: ( 0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 3.722 -0.000 10.765) 11.390 0.975 ( -5.291 0.000 16.537) 17.362 1.400 ( -14.643 0.000 30.446) 33.785 2.379 ( 9.920 -0.000 -13.543) 16.787 2.788 ( 7.925 -0.000 -11.854) 14.259 4.246 ( 9.877 -0.000 -12.715) 16.101 4.558 ( -2.263 0.000 5.802) 6.228 4.801 ( -0.770 0.000 4.687) 4.750 5.222 ( -1.636 0.000 4.047) 4.365 5.512 ( -6.317 0.000 10.631) 12.366 6.058 ( -2.265 0.000 -3.403) 4.088 6.267 ( 2.090 -0.000 -1.587) 2.624 6.502 ( -3.769 0.000 -2.117) 4.322 6.627 ( 1.781 -0.000 0.592) 1.877 6.771 ( 0.394 -0.000 2.797) 2.825 6.918 ( 2.463 -0.000 -0.625) 2.541 7.472 ( -1.434 0.000 2.980) 3.307 7.628 ( -1.757 0.000 6.425) 6.661 ======================= Grid point 432 (191/477) ======================= q-point: ( 0.21 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 4.028 1.673 8.751) 9.778 1.089 ( -5.213 -8.373 16.158) 18.930 1.523 ( -13.240 -11.394 24.633) 30.198 2.343 ( 7.777 3.872 -14.449) 16.860 2.889 ( 6.294 -8.575 -12.072) 16.090 4.264 ( 8.917 -0.327 -13.030) 15.792 4.675 ( -2.176 -10.362 2.768) 10.943 4.794 ( -0.454 1.517 4.084) 4.380 5.272 ( -2.401 -3.706 3.655) 5.733 5.494 ( -4.954 1.330 10.040) 11.274 6.014 ( -1.621 1.799 -1.490) 2.844 6.212 ( 3.167 6.215 -2.495) 7.408 6.425 ( -3.583 4.336 1.011) 5.715 6.573 ( 0.377 5.686 -0.105) 5.699 6.777 ( -0.086 0.502 0.619) 0.802 6.924 ( 2.504 0.906 -1.053) 2.863 7.466 ( -2.088 0.690 3.029) 3.743 7.636 ( -0.295 0.646 4.557) 4.612 ======================= Grid point 433 (192/477) ======================= q-point: ( 0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 1.968 -3.660 7.072) 8.202 1.316 ( -4.123 -12.044 14.815) 19.533 1.836 ( -10.160 -20.231 15.062) 27.192 2.255 ( 5.233 3.142 -14.677) 15.896 3.076 ( 4.075 -10.951 -10.313) 15.584 4.263 ( 5.984 1.048 -11.824) 13.293 4.777 ( 1.644 1.165 2.318) 3.071 4.894 ( -1.989 -11.699 -0.659) 11.885 5.298 ( -3.372 1.477 4.228) 5.606 5.493 ( -2.252 -0.548 5.462) 5.934 5.974 ( 0.003 2.631 1.506) 3.032 6.072 ( 1.836 6.212 -4.234) 7.739 6.339 ( -1.767 3.638 3.459) 5.321 6.450 ( -2.046 5.256 0.237) 5.645 6.752 ( -0.817 1.714 -0.489) 1.961 6.896 ( 2.879 2.911 -1.920) 4.522 7.435 ( -2.107 2.163 2.479) 3.906 7.614 ( 0.387 2.921 2.239) 3.701 ======================= Grid point 434 (193/477) ======================= q-point: ( 0.36 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.208 -13.171 6.289) 14.597 1.592 ( -2.631 -13.796 10.302) 17.418 2.228 ( 4.213 -6.602 -13.477) 15.587 2.265 ( -7.176 -20.512 10.066) 23.949 3.292 ( 2.048 -12.145 -7.296) 14.315 4.211 ( 1.927 3.132 -7.570) 8.416 4.791 ( 4.787 -0.482 -1.735) 5.115 5.074 ( -1.212 -7.199 -0.719) 7.336 5.227 ( -1.408 3.916 1.100) 4.304 5.493 ( -1.234 0.610 1.329) 1.913 5.904 ( 0.211 3.728 3.913) 5.409 6.022 ( 0.192 0.009 -2.499) 2.506 6.277 ( -0.091 2.661 0.233) 2.673 6.382 ( -2.875 0.689 2.574) 3.920 6.699 ( -1.782 2.936 0.478) 3.468 6.844 ( 3.156 3.211 -2.144) 4.986 7.377 ( -1.617 3.257 1.521) 3.942 7.543 ( 0.253 4.737 0.821) 4.815 ======================= Grid point 435 (194/477) ======================= q-point: ( 0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.401 -18.822 6.547) 19.932 1.884 ( -0.678 -15.037 3.897) 15.548 2.376 ( 2.006 -11.231 -4.631) 12.312 2.689 ( -3.103 -20.446 4.484) 21.161 3.498 ( 0.235 -9.106 -4.009) 9.952 4.149 ( -1.106 0.703 -1.566) 2.042 4.831 ( 6.702 -1.279 -4.958) 8.434 5.106 ( -0.230 1.940 0.623) 2.050 5.212 ( 0.765 -1.830 -4.624) 5.031 5.499 ( -1.364 -2.623 2.586) 3.928 5.867 ( 1.538 2.329 2.068) 3.474 6.041 ( -0.615 -2.871 0.150) 2.940 6.239 ( -0.438 0.658 -1.475) 1.674 6.387 ( -0.990 -0.965 2.084) 2.501 6.624 ( -2.672 3.718 1.786) 4.915 6.799 ( 2.800 2.611 -1.126) 3.991 7.306 ( -0.826 3.518 0.719) 3.684 7.454 ( -0.153 4.297 0.071) 4.300 ======================= Grid point 436 (195/477) ======================= q-point: ( 0.50 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 0.043 -19.703 7.151) 20.960 2.201 ( 1.003 -16.578 -0.016) 16.608 2.595 ( -0.733 -9.390 1.412) 9.524 3.013 ( 0.160 -11.821 0.728) 11.844 3.610 ( -0.361 -4.561 -0.225) 4.581 4.179 ( -3.527 -3.504 4.283) 6.562 4.883 ( 6.766 -1.862 -5.881) 9.156 5.069 ( 0.516 2.471 -1.223) 2.805 5.229 ( 2.620 -2.649 -6.272) 7.295 5.607 ( -0.906 -6.519 3.655) 7.528 5.830 ( 2.250 2.137 -0.515) 3.145 6.109 ( -1.332 -2.916 1.765) 3.660 6.263 ( 0.480 -4.449 -1.668) 4.776 6.410 ( 0.403 -1.227 0.678) 1.458 6.537 ( -2.958 4.138 2.426) 5.635 6.763 ( 1.811 2.452 0.221) 3.056 7.244 ( -0.029 2.487 0.178) 2.494 7.383 ( -0.148 2.727 -0.530) 2.782 ======================= Grid point 437 (196/477) ======================= q-point: ( 0.57 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -0.034 -16.858 6.880) 18.208 2.481 ( -1.404 -7.261 1.508) 7.548 2.727 ( -0.707 -8.084 0.401) 8.125 3.129 ( 2.547 0.600 -2.842) 3.863 3.752 ( -0.256 -10.186 4.785) 11.257 4.202 ( -5.214 1.528 6.331) 8.343 4.935 ( 5.653 -1.723 -6.332) 8.662 5.008 ( 0.839 2.995 -2.824) 4.201 5.339 ( 4.539 -7.809 -6.496) 11.126 5.658 ( 2.224 2.553 -3.147) 4.623 5.884 ( -1.573 -7.148 4.600) 8.645 6.122 ( -1.966 1.420 3.534) 4.286 6.376 ( 1.785 -4.057 -2.395) 5.038 6.440 ( -2.228 0.213 1.120) 2.503 6.475 ( 0.444 -2.055 0.968) 2.315 6.721 ( 0.776 2.783 0.681) 2.968 7.215 ( 0.379 0.570 -0.137) 0.698 7.344 ( 0.513 1.013 -1.343) 1.759 ======================= Grid point 438 (197/477) ======================= q-point: (-0.36 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -6.138 9.191 6.630) 12.888 2.529 ( -0.708 -10.275 4.483) 11.233 2.975 ( 1.883 -9.954 -5.294) 11.430 3.022 ( 3.553 6.405 -3.503) 8.119 3.998 ( -1.719 -11.780 6.991) 13.806 4.104 ( -4.571 6.262 4.601) 9.015 4.940 ( 2.286 3.659 -4.792) 6.449 4.977 ( 3.171 -1.935 -5.702) 6.805 5.498 ( 4.782 -6.505 -7.150) 10.784 5.582 ( 2.315 3.657 -5.230) 6.789 6.026 ( -3.060 -1.621 5.678) 6.650 6.065 ( -2.783 0.058 4.598) 5.375 6.362 ( 0.040 2.235 -0.174) 2.242 6.460 ( 1.158 -1.929 -1.211) 2.555 6.587 ( -0.337 -6.127 0.051) 6.137 6.665 ( 0.101 3.425 -0.076) 3.428 7.226 ( 0.357 -1.602 -0.490) 1.713 7.336 ( 1.135 -0.092 -2.207) 2.484 ======================= Grid point 439 (198/477) ======================= q-point: (-0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -8.041 14.401 8.771) 18.681 2.615 ( 0.630 7.554 -3.630) 8.404 2.795 ( 1.102 6.584 -1.393) 6.820 3.187 ( 1.761 -5.318 -4.875) 7.426 3.951 ( -5.079 5.448 1.613) 7.621 4.201 ( -0.946 -5.388 5.531) 7.779 4.851 ( 2.172 4.879 -5.946) 7.992 5.025 ( 1.842 -3.391 -3.466) 5.187 5.459 ( 3.027 5.021 -8.781) 10.559 5.643 ( 2.310 -5.277 -4.811) 7.505 5.906 ( -3.112 7.470 3.702) 8.899 6.151 ( -2.404 -3.259 3.171) 5.143 6.332 ( 0.225 0.986 0.549) 1.151 6.500 ( 1.669 -1.750 -0.573) 2.485 6.583 ( -1.388 4.195 -1.414) 4.640 6.686 ( -1.262 -4.516 0.060) 4.690 7.270 ( -0.228 -2.682 -1.115) 2.913 7.344 ( 1.478 -0.838 -2.156) 2.745 ======================= Grid point 440 (199/477) ======================= q-point: (-0.21 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -8.619 16.306 9.358) 20.682 2.287 ( -0.266 19.809 -4.346) 20.282 2.695 ( 1.265 7.469 -4.835) 8.987 3.144 ( -1.345 8.860 -2.647) 9.344 3.852 ( -2.940 3.488 -2.022) 4.990 4.223 ( 0.451 2.839 0.565) 2.930 4.750 ( 2.262 4.500 -5.223) 7.255 5.104 ( -0.282 -4.024 -1.120) 4.187 5.371 ( 2.855 1.991 -8.499) 9.184 5.693 ( -1.170 1.152 -2.750) 3.203 5.790 ( -1.571 1.387 1.010) 2.326 6.166 ( -1.287 1.397 0.788) 2.056 6.310 ( 0.365 1.871 -0.840) 2.083 6.495 ( -3.087 2.078 0.005) 3.721 6.550 ( 1.716 -2.391 0.033) 2.943 6.758 ( -1.794 -3.937 -0.906) 4.420 7.311 ( -0.884 -2.448 -1.696) 3.107 7.377 ( 1.406 -2.044 -0.627) 2.559 ======================= Grid point 441 (200/477) ======================= q-point: (-0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -8.074 18.402 7.556) 21.469 1.878 ( -2.627 20.091 1.655) 20.329 2.495 ( 3.499 10.311 -10.557) 15.166 2.833 ( -4.707 20.119 1.780) 20.739 3.682 ( -1.182 12.422 -4.827) 13.379 4.192 ( 4.450 -0.414 -5.714) 7.254 4.684 ( 1.977 2.029 -2.468) 3.757 5.149 ( -1.316 -2.180 -0.499) 2.594 5.351 ( 1.544 0.722 -7.176) 7.376 5.624 ( -2.723 1.769 -1.152) 3.446 5.811 ( -1.794 -2.171 1.451) 3.167 6.083 ( -1.039 5.384 -0.277) 5.491 6.282 ( 0.738 0.515 -1.791) 2.004 6.471 ( -4.438 -0.968 1.993) 4.960 6.620 ( 2.262 -3.606 -0.080) 4.257 6.810 ( -1.472 -2.718 -2.401) 3.914 7.353 ( -0.940 -2.811 -0.793) 3.069 7.431 ( 0.802 -2.854 0.729) 3.053 ======================= Grid point 442 (201/477) ======================= q-point: (-0.07 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -5.513 18.609 5.743) 20.240 1.508 ( -5.226 17.196 10.436) 20.783 2.319 ( 7.352 6.452 -14.696) 17.654 2.365 ( -8.298 24.069 9.105) 27.038 3.381 ( 1.924 15.005 -7.422) 16.850 4.226 ( 7.477 -1.201 -10.118) 12.638 4.677 ( 0.891 -0.608 1.286) 1.679 5.185 ( -2.664 0.356 -0.222) 2.697 5.282 ( 0.386 1.972 -5.310) 5.677 5.568 ( -3.167 3.226 0.114) 4.522 5.856 ( -2.522 -3.299 3.958) 5.737 6.018 ( 1.852 0.238 -1.193) 2.216 6.282 ( -0.383 -1.017 -0.005) 1.087 6.482 ( -5.061 -2.205 2.276) 5.971 6.710 ( 2.176 -4.089 -0.642) 4.676 6.833 ( -0.217 -1.377 -3.459) 3.729 7.400 ( -1.077 -2.504 1.016) 2.909 7.502 ( 0.419 -3.459 1.985) 4.010 ======================= Grid point 446 (202/477) ======================= q-point: ( 0.21 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 4.526 -0.000 7.216) 8.518 1.010 ( -5.999 0.000 14.304) 15.511 1.428 ( -13.655 0.000 28.379) 31.494 2.385 ( 7.224 -0.000 -14.775) 16.447 2.795 ( 7.202 -0.000 -12.695) 14.595 4.270 ( 9.003 -0.000 -13.626) 16.332 4.570 ( -2.101 0.000 5.567) 5.950 4.820 ( -0.754 0.000 3.947) 4.019 5.226 ( -2.044 0.000 3.564) 4.109 5.514 ( -5.586 0.000 11.068) 12.397 6.013 ( -2.243 0.000 -2.686) 3.500 6.281 ( 1.201 -0.000 0.066) 1.203 6.457 ( -1.029 0.000 -3.535) 3.682 6.644 ( 1.225 -0.000 -0.497) 1.322 6.789 ( 0.092 -0.000 2.178) 2.180 6.938 ( 1.526 -0.000 -0.255) 1.547 7.467 ( -2.424 0.000 2.610) 3.562 7.654 ( -0.325 0.000 4.846) 4.857 ======================= Grid point 447 (203/477) ======================= q-point: ( 0.29 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 3.805 2.296 5.501) 7.072 1.124 ( -5.485 -9.346 13.561) 17.359 1.532 ( -12.479 -9.818 23.872) 28.671 2.322 ( 5.630 4.601 -15.680) 17.283 2.879 ( 5.918 -7.854 -12.508) 15.910 4.272 ( 7.416 0.305 -13.484) 15.392 4.673 ( -1.890 -9.099 3.475) 9.922 4.815 ( -0.124 1.110 3.339) 3.521 5.265 ( -2.756 -3.165 3.463) 5.441 5.506 ( -4.356 0.942 10.252) 11.179 5.986 ( -1.284 0.461 -2.081) 2.488 6.229 ( 2.479 6.449 -2.087) 7.217 6.397 ( -2.089 3.330 0.582) 3.974 6.575 ( 0.486 6.555 -0.981) 6.645 6.779 ( -0.265 1.439 0.569) 1.570 6.942 ( 1.683 0.749 -0.829) 2.020 7.457 ( -2.638 0.580 2.574) 3.731 7.660 ( 0.104 0.871 3.171) 3.290 ======================= Grid point 448 (204/477) ======================= q-point: ( 0.36 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 1.485 -2.486 5.447) 6.169 1.359 ( -4.195 -12.379 13.161) 18.549 1.822 ( -9.038 -19.330 14.826) 25.984 2.212 ( 4.114 3.106 -14.745) 15.620 3.056 ( 4.206 -10.785 -10.299) 15.494 4.248 ( 4.465 1.798 -11.537) 12.500 4.807 ( 1.630 0.219 0.787) 1.823 4.880 ( -1.030 -10.782 1.446) 10.927 5.288 ( -3.399 1.151 4.944) 6.109 5.505 ( -1.556 0.202 5.188) 5.420 5.976 ( -0.056 0.029 -0.950) 0.953 6.067 ( 1.255 8.251 -2.659) 8.759 6.343 ( -1.534 2.368 3.660) 4.621 6.433 ( -0.825 6.300 -0.502) 6.374 6.741 ( -0.772 2.162 -0.085) 2.298 6.915 ( 2.353 2.673 -1.589) 3.900 7.425 ( -2.322 2.054 2.307) 3.864 7.629 ( 0.179 3.253 1.333) 3.520 ======================= Grid point 449 (205/477) ======================= q-point: ( 0.43 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.075 -12.751 6.875) 14.486 1.625 ( -2.725 -13.042 9.412) 16.313 2.194 ( 4.463 -8.136 -12.356) 15.452 2.258 ( -6.001 -20.428 11.182) 24.049 3.275 ( 2.795 -12.054 -6.689) 14.066 4.182 ( 1.270 3.132 -7.076) 7.841 4.827 ( 4.081 -0.967 -2.861) 5.077 5.067 ( -0.263 -7.556 0.962) 7.622 5.221 ( -1.359 4.412 2.289) 5.153 5.497 ( 0.001 1.139 1.995) 2.297 5.932 ( 0.317 3.443 3.814) 5.148 6.004 ( -0.341 -0.946 -2.888) 3.058 6.278 ( -0.028 3.816 0.100) 3.817 6.373 ( -1.537 -0.070 2.494) 2.930 6.683 ( -1.788 3.188 1.066) 3.808 6.867 ( 2.946 2.985 -1.580) 4.482 7.369 ( -1.654 3.103 1.729) 3.918 7.549 ( -0.012 5.034 0.385) 5.048 ======================= Grid point 450 (206/477) ======================= q-point: ( 0.50 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.289 -18.843 7.961) 20.458 1.902 ( -0.553 -14.617 3.907) 15.140 2.378 ( 2.245 -11.950 -2.428) 12.399 2.694 ( -1.851 -20.651 5.703) 21.504 3.487 ( 1.826 -8.985 -3.077) 9.671 4.128 ( -1.230 -0.013 -0.745) 1.438 4.868 ( 5.522 -1.698 -5.380) 7.895 5.110 ( -0.133 2.308 1.346) 2.675 5.201 ( 1.701 -1.524 -3.152) 3.893 5.511 ( -0.338 -2.837 4.160) 5.046 5.898 ( 1.927 2.522 1.496) 3.509 6.036 ( -0.649 -3.349 0.385) 3.433 6.228 ( -0.105 0.744 -0.904) 1.176 6.392 ( -0.199 -1.209 1.628) 2.038 6.606 ( -2.751 3.844 2.438) 5.319 6.825 ( 2.699 2.666 -0.548) 3.833 7.303 ( -0.717 3.260 1.134) 3.526 7.451 ( -0.259 4.547 0.014) 4.555 ======================= Grid point 451 (207/477) ======================= q-point: ( 0.57 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.230 -19.396 8.216) 21.065 2.217 ( 1.234 -16.297 0.946) 16.371 2.599 ( -0.931 -8.416 2.594) 8.856 3.028 ( 1.110 -11.629 1.641) 11.797 3.620 ( 1.860 -5.473 0.413) 5.795 4.170 ( -3.648 -3.433 5.571) 7.492 4.915 ( 5.394 -1.612 -5.978) 8.212 5.068 ( 0.555 2.883 -0.625) 3.002 5.228 ( 3.625 -3.205 -4.981) 6.944 5.626 ( -0.207 -6.000 4.473) 7.487 5.852 ( 2.417 2.724 -1.146) 3.818 6.108 ( -1.047 -2.841 2.048) 3.656 6.263 ( 0.929 -4.805 -0.979) 4.991 6.421 ( 0.706 -1.221 0.438) 1.478 6.522 ( -2.847 3.937 3.152) 5.792 6.785 ( 1.595 2.856 0.594) 3.325 7.248 ( 0.241 2.368 0.611) 2.457 7.378 ( -0.126 2.720 -0.408) 2.753 ======================= Grid point 452 (208/477) ======================= q-point: (-0.36 -0.79 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.654 -16.137 7.275) 17.713 2.480 ( -1.025 -4.710 2.616) 5.484 2.722 ( -0.560 -9.000 0.490) 9.030 3.143 ( 2.877 1.050 -2.432) 3.910 3.789 ( 1.269 -10.402 4.858) 11.551 4.185 ( -5.300 2.289 7.296) 9.304 4.947 ( 3.300 -1.009 -6.154) 7.055 5.006 ( 2.262 3.093 -2.905) 4.808 5.356 ( 5.075 -7.905 -5.313) 10.792 5.663 ( 2.563 3.529 -3.720) 5.733 5.897 ( -1.539 -6.644 4.798) 8.338 6.124 ( -1.763 1.415 3.653) 4.296 6.381 ( 1.827 -4.628 -2.302) 5.483 6.421 ( -2.345 1.613 1.385) 3.166 6.491 ( 1.067 -2.685 1.411) 3.215 6.733 ( 0.486 3.308 0.830) 3.445 7.221 ( 0.686 0.743 0.185) 1.029 7.341 ( 0.491 0.932 -1.317) 1.686 ======================= Grid point 453 (209/477) ======================= q-point: (-0.29 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -4.973 10.741 6.853) 13.677 2.544 ( -1.488 -10.032 4.193) 10.974 2.962 ( 1.618 -6.016 -4.764) 7.843 3.038 ( 3.430 3.643 -4.011) 6.413 4.007 ( -4.599 -4.625 6.389) 9.130 4.099 ( -1.621 0.718 5.254) 5.545 4.925 ( 0.988 2.947 -4.979) 5.870 4.987 ( 4.398 -0.703 -5.585) 7.144 5.510 ( 5.175 -4.668 -6.924) 9.824 5.571 ( 1.907 3.329 -5.414) 6.636 6.030 ( -2.837 -0.539 5.846) 6.520 6.061 ( -2.943 0.022 4.383) 5.279 6.363 ( 0.349 1.911 -0.015) 1.943 6.461 ( 0.559 -2.662 -1.349) 3.036 6.586 ( 0.001 -4.613 0.175) 4.617 6.665 ( 0.010 3.891 -0.160) 3.894 7.228 ( 0.479 -1.105 -0.433) 1.280 7.334 ( 1.004 -0.184 -2.269) 2.488 ======================= Grid point 454 (210/477) ======================= q-point: (-0.21 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -6.226 14.962 8.430) 18.267 2.593 ( 0.061 9.434 -4.313) 10.373 2.793 ( 0.260 6.139 -1.605) 6.351 3.174 ( 1.423 -4.192 -4.942) 6.635 3.897 ( -6.409 5.262 1.994) 8.529 4.226 ( -0.680 -3.988 4.680) 6.186 4.840 ( 2.783 4.691 -6.146) 8.218 5.026 ( 2.127 -3.006 -3.471) 5.060 5.433 ( 2.741 5.329 -9.457) 11.195 5.640 ( 2.238 -4.260 -4.190) 6.381 5.894 ( -3.113 7.963 3.585) 9.271 6.144 ( -2.420 -3.056 3.094) 4.977 6.340 ( 0.735 1.123 0.129) 1.349 6.511 ( 0.741 -2.535 -0.514) 2.691 6.554 ( -1.920 5.045 -1.537) 5.612 6.676 ( -0.541 -3.469 -0.066) 3.511 7.258 ( -0.385 -1.947 -1.369) 2.411 7.347 ( 1.332 -1.320 -2.036) 2.768 ======================= Grid point 455 (211/477) ======================= q-point: (-0.14 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -6.570 17.046 8.301) 20.065 2.255 ( -0.414 19.450 -4.401) 19.946 2.672 ( 0.385 8.330 -4.989) 9.717 3.108 ( -1.887 9.632 -2.695) 10.178 3.798 ( -4.211 3.079 -2.114) 5.628 4.228 ( -0.081 2.961 0.281) 2.976 4.750 ( 3.868 4.104 -5.493) 7.872 5.094 ( -0.030 -3.211 -1.563) 3.571 5.345 ( 2.299 1.520 -8.820) 9.240 5.662 ( -1.636 2.715 -2.037) 3.768 5.782 ( -0.854 0.857 0.905) 1.511 6.154 ( -1.643 1.754 0.811) 2.537 6.307 ( 0.855 2.427 -2.171) 3.367 6.457 ( -3.526 1.943 0.365) 4.042 6.570 ( 1.002 -2.949 0.706) 3.193 6.735 ( -1.073 -3.270 -1.114) 3.617 7.290 ( -0.911 -2.424 -1.593) 3.040 7.386 ( 1.056 -2.334 -0.779) 2.677 ======================= Grid point 456 (212/477) ======================= q-point: (-0.07 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -5.851 18.798 6.201) 20.641 1.864 ( -2.216 18.907 2.492) 19.199 2.462 ( 2.571 9.937 -10.385) 14.601 2.788 ( -5.132 19.993 1.732) 20.714 3.633 ( -1.688 11.455 -5.342) 12.751 4.199 ( 2.717 -1.007 -4.978) 5.760 4.701 ( 4.014 1.787 -2.913) 5.272 5.131 ( -1.092 -2.254 -0.737) 2.610 5.318 ( 0.798 1.442 -7.249) 7.434 5.582 ( -3.115 1.722 -1.367) 3.813 5.807 ( -0.879 -2.004 2.079) 3.018 6.069 ( -0.926 4.484 -0.449) 4.600 6.277 ( 0.702 0.348 -2.179) 2.315 6.434 ( -4.409 -0.713 2.449) 5.094 6.642 ( 1.221 -3.680 0.564) 3.918 6.782 ( -0.477 -2.550 -2.619) 3.686 7.337 ( -1.021 -3.237 -0.537) 3.437 7.443 ( 0.594 -3.116 0.472) 3.207 ======================= Grid point 461 (213/477) ======================= q-point: ( 0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 3.688 -0.000 3.361) 4.989 1.021 ( -6.983 0.000 12.287) 14.133 1.454 ( -12.840 0.000 26.845) 29.758 2.357 ( 5.411 -0.000 -16.313) 17.187 2.789 ( 6.598 -0.000 -13.748) 15.250 4.274 ( 7.520 -0.000 -14.364) 16.214 4.581 ( -2.097 0.000 5.312) 5.711 4.834 ( -0.868 0.000 3.392) 3.501 5.221 ( -2.415 0.000 2.959) 3.819 5.526 ( -4.921 0.000 11.380) 12.398 5.974 ( -1.666 0.000 -2.594) 3.082 6.294 ( 0.030 -0.000 1.688) 1.689 6.433 ( 1.866 -0.000 -5.296) 5.615 6.647 ( 0.540 -0.000 -1.745) 1.827 6.800 ( -0.319 0.000 1.335) 1.373 6.949 ( 0.510 -0.000 -0.028) 0.511 7.451 ( -2.968 0.000 2.050) 3.608 7.678 ( -0.129 0.000 3.160) 3.163 ======================= Grid point 462 (214/477) ======================= q-point: ( 0.36 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 1.977 2.616 2.361) 4.041 1.137 ( -6.332 -10.661 11.215) 16.719 1.547 ( -11.328 -8.694 23.363) 27.382 2.275 ( 4.510 4.930 -16.932) 18.203 2.863 ( 5.713 -7.622 -13.132) 16.223 4.261 ( 6.130 0.795 -13.861) 15.177 4.676 ( -1.683 -8.464 3.828) 9.441 4.832 ( -0.453 0.582 2.748) 2.845 5.254 ( -2.930 -3.074 3.414) 5.449 5.525 ( -3.798 0.818 10.071) 10.795 5.958 ( -0.846 -0.240 -2.775) 2.911 6.241 ( 1.603 6.758 -1.574) 7.122 6.386 ( -0.207 2.830 -0.087) 2.839 6.570 ( 0.227 6.634 -1.882) 6.899 6.778 ( -0.477 1.895 0.370) 1.988 6.952 ( 0.832 0.425 -0.729) 1.185 7.440 ( -2.894 0.283 2.093) 3.583 7.676 ( -0.243 1.123 1.782) 2.120 ======================= Grid point 463 (215/477) ======================= q-point: ( 0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.052 -2.767 4.127) 4.969 1.387 ( -4.787 -13.284 11.527) 18.228 1.821 ( -7.517 -18.434 14.321) 24.524 2.164 ( 3.776 2.034 -14.073) 14.712 3.040 ( 4.535 -11.057 -10.314) 15.786 4.220 ( 3.816 2.210 -11.541) 12.354 4.823 ( 1.006 -0.925 -0.245) 1.388 4.885 ( -0.656 -9.964 2.820) 10.376 5.285 ( -3.272 0.665 5.951) 6.824 5.523 ( -0.805 0.490 4.416) 4.515 5.961 ( -0.001 -1.206 -3.466) 3.670 6.067 ( 0.460 8.930 -0.431) 8.952 6.351 ( -0.801 1.729 3.121) 3.657 6.423 ( -0.042 6.570 -0.965) 6.641 6.734 ( -0.744 2.436 0.483) 2.592 6.929 ( 1.829 2.154 -1.399) 3.153 7.413 ( -2.371 1.758 2.167) 3.662 7.634 ( -0.339 3.394 0.454) 3.441 ======================= Grid point 464 (216/477) ======================= q-point: ( 0.50 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -0.289 -13.526 7.508) 15.473 1.649 ( -3.130 -12.710 8.582) 15.652 2.173 ( 5.066 -10.084 -11.039) 15.786 2.271 ( -4.884 -20.724 12.110) 24.494 3.271 ( 3.722 -12.520 -6.081) 14.408 4.151 ( 1.377 2.836 -7.024) 7.699 4.845 ( 2.581 -1.381 -3.456) 4.529 5.079 ( 0.403 -7.684 2.337) 8.041 5.225 ( -1.006 4.638 3.019) 5.625 5.518 ( 0.959 1.068 2.607) 2.976 5.958 ( -0.083 2.900 3.885) 4.849 5.979 ( -0.309 -1.964 -3.227) 3.791 6.279 ( 0.096 4.425 0.056) 4.426 6.377 ( -0.267 -0.387 1.943) 1.999 6.673 ( -1.732 3.496 1.961) 4.367 6.890 ( 2.646 2.546 -1.169) 3.854 7.362 ( -1.594 2.818 1.915) 3.762 7.548 ( -0.356 5.057 -0.012) 5.070 ======================= Grid point 465 (217/477) ======================= q-point: (-0.43 -0.71 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.220 -19.040 9.130) 21.117 1.921 ( -0.721 -14.705 4.165) 15.300 2.394 ( 2.366 -12.345 -1.136) 12.621 2.719 ( -0.778 -20.796 6.565) 21.822 3.501 ( 3.516 -9.299 -2.260) 10.195 4.113 ( -0.971 -0.880 -0.279) 1.340 4.885 ( 3.563 -2.288 -5.553) 6.984 5.120 ( 0.088 2.732 1.877) 3.316 5.211 ( 2.727 -1.244 -1.884) 3.541 5.542 ( 0.447 -2.938 5.175) 5.968 5.928 ( 2.001 2.821 0.689) 3.526 6.032 ( -0.580 -4.246 0.688) 4.340 6.226 ( 0.432 0.676 -0.374) 0.885 6.401 ( 0.316 -1.274 1.027) 1.667 6.594 ( -2.612 4.027 3.425) 5.897 6.852 ( 2.403 2.711 -0.115) 3.625 7.304 ( -0.581 2.899 1.453) 3.294 7.448 ( -0.294 4.589 -0.050) 4.598 ======================= Grid point 466 (218/477) ======================= q-point: (-0.36 -0.71 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -0.551 -18.709 9.140) 20.829 2.240 ( 1.381 -16.381 1.541) 16.512 2.606 ( -0.981 -7.196 2.955) 7.840 3.057 ( 1.792 -11.140 2.166) 11.489 3.656 ( 3.751 -6.210 0.760) 7.294 4.168 ( -3.542 -3.375 6.520) 8.151 4.926 ( 3.197 -1.486 -5.946) 6.912 5.075 ( 1.014 3.234 -0.202) 3.396 5.247 ( 4.604 -3.581 -3.990) 7.067 5.658 ( 0.470 -5.134 4.675) 6.960 5.869 ( 2.163 3.180 -1.756) 4.228 6.112 ( -0.706 -2.767 2.251) 3.636 6.271 ( 1.306 -4.890 -0.544) 5.091 6.430 ( 0.436 -0.906 0.176) 1.020 6.516 ( -2.166 3.384 4.107) 5.745 6.806 ( 1.214 3.318 0.852) 3.635 7.257 ( 0.465 2.174 0.911) 2.402 7.375 ( 0.022 2.706 -0.375) 2.732 ======================= Grid point 467 (219/477) ======================= q-point: (-0.29 -0.71 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -2.056 -15.264 7.767) 17.249 2.491 ( -0.206 -2.322 3.162) 3.929 2.720 ( -0.277 -9.944 0.417) 9.956 3.161 ( 2.995 1.923 -2.390) 4.287 3.839 ( 2.027 -9.854 4.574) 11.051 4.176 ( -5.075 3.118 8.056) 10.019 4.935 ( 1.273 0.003 -5.216) 5.369 5.019 ( 3.512 2.475 -3.746) 5.700 5.384 ( 5.260 -7.695 -4.443) 10.325 5.668 ( 2.995 4.905 -4.598) 7.360 5.909 ( -1.739 -6.358 4.946) 8.241 6.129 ( -1.585 1.610 3.862) 4.474 6.384 ( 0.510 -5.103 -1.611) 5.375 6.408 ( -0.925 2.519 0.859) 2.818 6.516 ( 1.351 -2.599 1.820) 3.449 6.742 ( 0.106 3.842 0.884) 3.944 7.232 ( 0.912 0.967 0.396) 1.387 7.339 ( 0.570 0.991 -1.373) 1.787 ======================= Grid point 468 (220/477) ======================= q-point: (-0.21 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -3.277 11.734 6.789) 13.947 2.548 ( -2.729 -9.312 4.411) 10.659 2.952 ( 1.667 -3.487 -4.170) 5.685 3.047 ( 3.008 2.702 -4.774) 6.256 3.984 ( -5.948 2.945 6.181) 9.070 4.125 ( -0.415 -4.469 5.437) 7.050 4.906 ( 1.405 2.228 -4.831) 5.502 5.000 ( 4.270 0.090 -5.683) 7.109 5.524 ( 5.233 -0.425 -7.514) 9.167 5.558 ( 1.767 0.867 -4.839) 5.224 6.036 ( -2.661 1.225 5.908) 6.594 6.054 ( -3.095 -0.595 4.366) 5.385 6.369 ( 0.543 1.377 0.001) 1.480 6.455 ( 0.012 -3.007 -1.397) 3.316 6.589 ( 0.342 -2.452 0.145) 2.480 6.663 ( -0.075 3.820 -0.152) 3.824 7.231 ( 0.467 -0.364 -0.436) 0.735 7.330 ( 1.023 -0.265 -2.245) 2.482 ======================= Grid point 469 (221/477) ======================= q-point: (-0.14 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -4.159 15.629 7.929) 18.012 2.564 ( -0.321 10.749 -4.140) 11.523 2.781 ( -0.502 6.176 -1.524) 6.381 3.157 ( 1.174 -2.969 -4.864) 5.818 3.836 ( -6.600 5.750 2.488) 9.100 4.243 ( -1.419 -2.694 4.241) 5.221 4.838 ( 3.890 4.127 -6.139) 8.358 5.028 ( 2.169 -2.550 -3.597) 4.914 5.403 ( 2.649 5.799 -9.606) 11.529 5.640 ( 2.227 -3.346 -3.703) 5.465 5.882 ( -2.985 8.350 3.632) 9.582 6.137 ( -2.380 -2.743 3.172) 4.822 6.350 ( 1.164 1.433 -0.508) 1.914 6.509 ( -0.293 -1.889 -1.120) 2.216 6.523 ( -2.172 4.427 -0.566) 4.964 6.674 ( 0.312 -2.492 -0.067) 2.512 7.244 ( -0.452 -1.261 -1.403) 1.940 7.349 ( 1.157 -1.621 -1.888) 2.744 ======================= Grid point 470 (222/477) ======================= q-point: (-0.07 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -4.373 17.946 7.172) 19.814 2.224 ( -0.252 18.797 -3.737) 19.167 2.643 ( -0.244 9.141 -4.199) 10.062 3.069 ( -2.015 10.475 -2.271) 10.906 3.734 ( -4.507 2.948 -1.991) 5.741 4.224 ( -1.198 3.193 0.688) 3.479 4.767 ( 5.513 3.493 -5.766) 8.709 5.084 ( 0.288 -2.529 -1.864) 3.155 5.312 ( 1.887 1.337 -8.731) 9.032 5.632 ( -1.905 4.386 -0.836) 4.854 5.783 ( 0.048 0.093 0.706) 0.714 6.140 ( -1.793 2.256 0.923) 3.026 6.300 ( 0.916 3.057 -3.221) 4.534 6.425 ( -2.880 1.585 1.134) 3.477 6.579 ( -0.616 -3.651 1.261) 3.911 6.723 ( 0.236 -2.537 -1.078) 2.767 7.271 ( -0.820 -2.457 -1.294) 2.895 7.391 ( 0.661 -2.538 -0.842) 2.754 ======================= Grid point 476 (223/477) ======================= q-point: ( 0.36 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -8.159 0.000 10.617) 13.390 1.046 ( 0.939 -0.000 -0.205) 0.962 1.482 ( -11.762 0.000 25.727) 28.288 2.304 ( 4.647 -0.000 -17.839) 18.434 2.770 ( 6.208 -0.000 -14.848) 16.093 4.260 ( 6.530 -0.000 -14.928) 16.294 4.590 ( -2.230 0.000 5.110) 5.575 4.842 ( -1.504 0.000 3.071) 3.419 5.209 ( -2.684 0.000 2.339) 3.560 5.546 ( -4.424 0.000 11.390) 12.219 5.942 ( -1.097 0.000 -2.734) 2.946 6.304 ( -0.620 0.000 2.685) 2.756 6.430 ( 4.036 -0.000 -6.549) 7.692 6.635 ( -0.093 0.000 -2.840) 2.842 6.799 ( -0.796 0.000 0.377) 0.881 6.949 ( -0.491 0.000 0.080) 0.497 7.428 ( -3.141 0.000 1.557) 3.506 7.688 ( -0.715 0.000 1.621) 1.772 ======================= Grid point 477 (224/477) ======================= q-point: ( 0.43 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -1.062 2.344 -0.255) 2.586 1.125 ( -7.384 -12.144 9.668) 17.189 1.573 ( -10.187 -7.992 22.655) 26.094 2.213 ( 4.389 4.799 -17.854) 19.002 2.842 ( 5.683 -7.860 -13.826) 16.889 4.237 ( 5.700 1.088 -14.275) 15.409 4.683 ( -1.573 -8.441 4.068) 9.501 4.838 ( -1.495 0.272 2.349) 2.798 5.243 ( -2.920 -3.533 3.455) 5.740 5.547 ( -3.488 0.926 9.485) 10.148 5.932 ( -0.448 -0.505 -3.213) 3.283 6.246 ( 0.835 7.250 -1.224) 7.400 6.391 ( 1.485 2.523 -0.650) 2.999 6.557 ( -0.028 6.198 -2.605) 6.723 6.773 ( -0.684 1.798 0.143) 1.929 6.952 ( 0.031 -0.065 -0.731) 0.735 7.419 ( -2.896 -0.115 1.757) 3.389 7.676 ( -1.010 1.250 0.570) 1.705 ======================= Grid point 478 (225/477) ======================= q-point: (-0.50 -0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -1.991 -4.535 3.441) 6.032 1.397 ( -5.619 -14.571 10.239) 18.674 1.832 ( -6.038 -17.470 13.033) 22.617 2.122 ( 3.820 0.006 -12.346) 12.924 3.028 ( 4.975 -11.805 -10.367) 16.480 4.189 ( 4.040 2.365 -11.869) 12.759 4.827 ( 0.065 -0.705 -0.558) 0.902 4.897 ( -0.664 -10.747 3.394) 11.290 5.290 ( -3.031 0.072 6.900) 7.537 5.541 ( -0.464 0.267 3.311) 3.354 5.935 ( 0.237 -1.068 -4.680) 4.807 6.071 ( -0.357 8.202 1.158) 8.291 6.363 ( 0.029 2.182 1.944) 2.922 6.420 ( 0.656 5.693 -1.028) 5.822 6.730 ( -0.783 2.478 1.176) 2.852 6.938 ( 1.354 1.395 -1.321) 2.350 7.400 ( -2.271 1.343 2.103) 3.375 7.627 ( -1.008 3.269 -0.272) 3.432 ======================= Grid point 479 (226/477) ======================= q-point: (-0.43 -0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -1.069 -15.175 7.997) 17.187 1.663 ( -3.806 -12.876 8.163) 15.714 2.167 ( 5.777 -11.937 -9.942) 16.574 2.299 ( -4.181 -21.297 12.585) 25.088 3.281 ( 4.623 -13.523 -5.556) 15.333 4.125 ( 2.074 2.400 -7.354) 8.008 4.841 ( 0.801 -1.631 -3.506) 3.948 5.104 ( 0.954 -7.792 3.227) 8.487 5.236 ( -0.598 4.647 2.992) 5.559 5.549 ( 1.327 0.457 3.134) 3.434 5.952 ( -0.719 -2.815 -2.414) 3.777 5.984 ( 0.095 2.137 3.105) 3.771 6.281 ( 0.209 4.392 0.101) 4.398 6.391 ( 0.951 -0.158 0.938) 1.345 6.669 ( -1.698 3.711 3.026) 5.081 6.911 ( 2.270 1.997 -0.895) 3.153 7.357 ( -1.430 2.459 2.063) 3.514 7.540 ( -0.725 4.773 -0.323) 4.839 ======================= Grid point 480 (227/477) ======================= q-point: (-0.36 -0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.688 -19.264 9.737) 21.596 1.938 ( -1.255 -15.163 4.586) 15.891 2.415 ( 2.579 -12.389 -0.925) 12.688 2.757 ( -0.093 -20.903 6.898) 22.012 3.536 ( 4.923 -9.965 -1.675) 11.240 4.103 ( -0.425 -1.765 -0.260) 1.834 4.878 ( 1.484 -2.704 -5.384) 6.205 5.135 ( 0.269 2.865 2.142) 3.587 5.237 ( 3.630 -1.005 -1.259) 3.971 5.584 ( 0.760 -3.033 5.454) 6.287 5.950 ( 1.555 3.166 -0.313) 3.541 6.033 ( -0.245 -5.200 1.280) 5.360 6.233 ( 0.886 0.440 0.043) 0.990 6.411 ( 0.734 -1.096 0.187) 1.332 6.592 ( -2.329 4.107 4.568) 6.570 6.877 ( 1.924 2.770 0.147) 3.376 7.308 ( -0.368 2.506 1.637) 3.016 7.444 ( -0.315 4.394 -0.140) 4.407 ======================= Grid point 481 (228/477) ======================= q-point: (-0.29 -0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -2.448 -17.792 9.726) 20.425 2.267 ( 1.486 -16.887 1.670) 17.034 2.615 ( -0.473 -6.052 2.603) 6.605 3.094 ( 2.117 -10.443 2.191) 10.878 3.711 ( 4.912 -6.541 0.704) 8.210 4.172 ( -3.300 -3.386 6.956) 8.411 4.913 ( 1.243 -1.538 -5.679) 6.013 5.088 ( 1.351 3.489 -0.023) 3.741 5.279 ( 5.256 -3.742 -3.621) 7.398 5.694 ( 0.855 -4.180 4.206) 5.991 5.877 ( 1.510 3.435 -2.195) 4.347 6.121 ( -0.319 -2.680 2.352) 3.580 6.284 ( 1.330 -4.540 -0.208) 4.736 6.432 ( -0.006 -0.223 0.004) 0.224 6.526 ( -1.136 2.374 4.738) 5.420 6.822 ( 0.675 3.786 0.955) 3.962 7.270 ( 0.681 1.954 1.052) 2.322 7.373 ( 0.190 2.669 -0.475) 2.718 ======================= Grid point 482 (229/477) ======================= q-point: (-0.21 -0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -4.251 -14.535 8.204) 17.223 2.515 ( 0.822 -0.508 3.106) 3.253 2.723 ( 0.411 -10.730 0.251) 10.740 3.179 ( 2.933 3.104 -2.706) 5.055 3.890 ( 2.074 -8.670 4.018) 9.779 4.173 ( -4.771 3.834 8.432) 10.420 4.914 ( 0.921 0.006 -4.761) 4.849 5.033 ( 3.370 2.329 -4.086) 5.786 5.416 ( 5.107 -7.241 -4.078) 9.754 5.671 ( 3.295 6.322 -5.576) 9.051 5.920 ( -2.071 -6.279 4.987) 8.281 6.137 ( -1.493 1.971 4.093) 4.781 6.371 ( -1.570 -2.877 0.075) 3.278 6.413 ( 1.376 0.698 -0.746) 1.714 6.544 ( 1.417 -2.279 1.978) 3.333 6.746 ( -0.366 4.332 0.833) 4.427 7.246 ( 1.007 1.270 0.472) 1.688 7.337 ( 0.741 1.096 -1.527) 2.021 ======================= Grid point 483 (230/477) ======================= q-point: (-0.14 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -1.621 12.335 6.451) 14.015 2.539 ( -4.232 -8.764 5.003) 10.943 2.948 ( 2.101 -1.078 -3.663) 4.358 3.045 ( 2.522 2.127 -5.508) 6.421 3.959 ( -5.449 6.785 6.436) 10.824 4.151 ( -1.170 -5.618 5.097) 7.676 4.897 ( 2.347 1.497 -4.604) 5.381 5.010 ( 3.765 0.447 -5.778) 6.911 5.524 ( 3.800 7.150 -8.485) 11.728 5.558 ( 3.116 -5.037 -3.925) 7.105 6.043 ( -2.939 7.398 5.316) 9.572 6.049 ( -2.852 -5.748 5.059) 8.171 6.374 ( 0.464 0.499 -0.147) 0.697 6.446 ( -0.032 -2.574 -1.322) 2.894 6.594 ( 0.408 0.238 -0.012) 0.472 6.662 ( -0.095 2.839 -0.052) 2.841 7.233 ( 0.311 0.492 -0.508) 0.773 7.329 ( 1.197 -0.334 -2.145) 2.479 ======================= Grid point 484 (231/477) ======================= q-point: (-0.07 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -2.259 16.322 7.377) 18.053 2.535 ( -0.625 11.365 -3.200) 11.823 2.764 ( -0.980 6.418 -1.098) 6.585 3.140 ( 1.182 -1.880 -4.599) 5.107 3.783 ( -5.811 6.769 3.102) 9.445 4.247 ( -2.630 -1.683 4.224) 5.252 4.850 ( 5.074 3.420 -6.014) 8.579 5.028 ( 1.966 -2.222 -3.703) 4.745 5.373 ( 2.807 6.333 -9.310) 11.604 5.643 ( 2.198 -2.610 -3.307) 4.752 5.874 ( -2.695 8.476 3.827) 9.682 6.131 ( -2.328 -2.359 3.311) 4.685 6.359 ( 1.492 1.923 -1.292) 2.755 6.489 ( -1.132 5.191 -1.731) 5.588 6.502 ( -1.973 -2.534 0.843) 3.320 6.681 ( 0.886 -2.015 0.057) 2.202 7.231 ( -0.401 -0.776 -1.236) 1.514 7.349 ( 0.969 -1.656 -1.725) 2.580 ======================= Grid point 491 (232/477) ======================= q-point: (-0.57 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -9.451 0.000 9.441) 13.359 1.026 ( -2.789 0.000 -2.746) 3.914 1.515 ( -11.036 0.000 24.639) 26.997 2.239 ( 4.881 -0.000 -19.014) 19.630 2.741 ( 6.104 -0.000 -15.797) 16.936 4.236 ( 6.479 -0.000 -15.350) 16.662 4.595 ( -2.489 0.000 5.001) 5.587 4.838 ( -2.514 0.000 2.966) 3.888 5.191 ( -2.782 0.000 1.825) 3.327 5.569 ( -4.301 0.000 11.011) 11.821 5.914 ( -0.692 0.000 -2.714) 2.800 6.314 ( -0.556 0.000 2.697) 2.754 6.440 ( 5.315 -0.000 -6.838) 8.661 6.610 ( -0.530 0.000 -3.545) 3.585 6.787 ( -1.260 0.000 -0.517) 1.362 6.939 ( -1.387 0.000 0.124) 1.392 7.402 ( -3.017 0.000 1.355) 3.307 7.682 ( -1.615 0.000 0.407) 1.665 ======================= Grid point 492 (233/477) ======================= q-point: (-0.50 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -4.293 1.122 -1.753) 4.771 1.094 ( -8.324 -13.637 8.663) 18.175 1.602 ( -9.952 -7.593 21.882) 25.210 2.150 ( 5.043 4.253 -18.235) 19.392 2.817 ( 5.874 -8.449 -14.382) 17.684 4.211 ( 6.125 1.288 -14.702) 15.979 4.692 ( -1.561 -8.988 4.303) 10.086 4.828 ( -2.677 0.319 2.081) 3.406 5.233 ( -2.728 -4.497 3.509) 6.323 5.565 ( -3.645 1.256 8.604) 9.429 5.908 ( -0.082 -0.563 -3.221) 3.271 6.245 ( 0.314 7.883 -1.068) 7.962 6.410 ( 2.730 2.363 -0.902) 3.721 6.538 ( -0.063 5.419 -3.018) 6.203 6.764 ( -0.823 1.185 -0.009) 1.443 6.943 ( -0.662 -0.698 -0.784) 1.241 7.398 ( -2.687 -0.515 1.685) 3.213 7.661 ( -1.873 1.226 -0.292) 2.258 ======================= Grid point 493 (234/477) ======================= q-point: (-0.43 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -3.769 -7.476 3.385) 9.031 1.391 ( -6.533 -15.986 9.399) 19.662 1.848 ( -4.937 -16.694 11.221) 20.711 2.094 ( 3.802 -2.598 -9.866) 10.887 3.021 ( 5.458 -12.927 -10.357) 17.440 4.162 ( 4.913 2.395 -12.373) 13.527 4.814 ( -1.815 -0.223 -0.469) 1.887 4.917 ( 0.368 -11.967 3.500) 12.474 5.303 ( -2.893 -0.378 7.384) 7.939 5.553 ( -0.569 -0.533 2.202) 2.336 5.909 ( 0.640 -0.558 -4.845) 4.919 6.073 ( -1.098 7.121 2.265) 7.553 6.372 ( 0.108 3.853 0.347) 3.871 6.429 ( 2.014 3.630 -0.618) 4.198 6.731 ( -0.905 2.310 1.880) 3.112 6.943 ( 0.927 0.464 -1.332) 1.688 7.389 ( -2.045 0.891 2.151) 3.099 7.609 ( -1.647 2.905 -0.721) 3.416 ======================= Grid point 494 (235/477) ======================= q-point: (-0.36 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -2.156 -17.155 8.138) 19.109 1.667 ( -4.867 -13.466 8.223) 16.512 2.176 ( 6.579 -13.256 -9.423) 17.544 2.334 ( -4.007 -22.169 12.614) 25.819 3.303 ( 5.269 -14.917 -5.130) 16.631 4.105 ( 3.213 1.974 -7.947) 8.796 4.819 ( -0.827 -1.801 -3.160) 3.730 5.140 ( 1.365 -7.558 3.659) 8.507 5.248 ( -0.148 4.174 2.169) 4.706 5.585 ( 1.125 -0.393 3.468) 3.667 5.931 ( -0.019 -3.940 -2.582) 4.711 6.002 ( -0.899 1.796 3.632) 4.150 6.284 ( 0.263 3.925 0.135) 3.936 6.411 ( 2.199 0.510 -0.236) 2.269 6.673 ( -1.753 3.734 3.976) 5.729 6.929 ( 1.781 1.432 -0.781) 2.415 7.356 ( -1.154 2.069 2.168) 3.211 7.528 ( -1.059 4.242 -0.498) 4.400 ======================= Grid point 495 (236/477) ======================= q-point: (-0.29 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -2.487 -19.271 9.849) 21.784 1.950 ( -2.019 -15.958 4.870) 16.807 2.440 ( 3.160 -12.229 -1.671) 12.741 2.802 ( 0.121 -20.998 6.694) 22.039 3.588 ( 5.686 -10.821 -1.365) 12.300 4.100 ( 0.368 -2.486 -0.734) 2.618 4.852 ( -0.109 -2.885 -5.009) 5.782 5.152 ( 0.190 2.629 2.256) 3.469 5.274 ( 4.296 -0.717 -1.429) 4.584 5.625 ( 0.551 -3.173 5.011) 5.957 5.957 ( 0.499 3.075 -1.217) 3.345 6.044 ( 0.272 -5.554 2.043) 5.924 6.246 ( 1.123 0.083 0.302) 1.166 6.421 ( 1.321 -0.583 -0.711) 1.610 6.599 ( -2.105 3.943 5.370) 6.987 6.897 ( 1.263 2.849 0.193) 3.123 7.317 ( -0.038 2.132 1.675) 2.712 7.439 ( -0.385 4.017 -0.254) 4.043 ======================= Grid point 496 (237/477) ======================= q-point: (-0.21 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -5.220 -16.824 10.059) 20.285 2.294 ( 1.547 -17.701 1.269) 17.814 2.630 ( 0.666 -5.286 1.702) 5.593 3.130 ( 2.082 -9.664 1.724) 10.035 3.772 ( 5.219 -6.397 0.275) 8.260 4.181 ( -3.004 -3.453 6.787) 8.186 4.885 ( 0.215 -1.938 -5.434) 5.773 5.103 ( 1.171 3.825 0.114) 4.001 5.317 ( 5.496 -3.729 -3.877) 7.690 5.728 ( 0.790 -3.302 3.102) 4.599 5.875 ( 0.581 3.348 -2.307) 4.107 6.134 ( 0.042 -2.503 2.286) 3.390 6.297 ( 0.845 -3.723 0.291) 3.829 6.433 ( 0.348 0.164 -0.159) 0.416 6.547 ( -0.622 1.495 4.636) 4.910 6.832 ( 0.015 4.203 0.878) 4.294 7.286 ( 0.935 1.786 1.035) 2.266 7.372 ( 0.255 2.582 -0.717) 2.691 ======================= Grid point 497 (238/477) ======================= q-point: (-0.14 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -6.742 -14.011 8.508) 17.724 2.548 ( 1.762 0.189 2.472) 3.042 2.733 ( 1.297 -11.046 -0.000) 11.122 3.192 ( 2.749 4.393 -3.248) 6.116 3.935 ( 1.745 -7.315 3.311) 8.217 4.173 ( -4.649 4.496 8.378) 10.584 4.897 ( 1.269 -0.758 -4.637) 4.867 5.042 ( 2.719 2.459 -4.135) 5.526 5.445 ( 4.760 -6.626 -4.276) 9.211 5.671 ( 3.314 7.326 -6.337) 10.238 5.926 ( -2.411 -6.323 4.872) 8.338 6.147 ( -1.545 2.423 4.205) 5.093 6.354 ( -1.791 -1.900 0.589) 2.676 6.426 ( 1.987 0.165 -1.146) 2.299 6.571 ( 1.276 -1.971 1.739) 2.922 6.744 ( -0.896 4.740 0.692) 4.873 7.260 ( 0.936 1.744 0.409) 2.021 7.336 ( 0.977 1.070 -1.770) 2.287 ======================= Grid point 498 (239/477) ======================= q-point: (-0.07 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -0.643 12.003 5.853) 13.370 2.517 ( -5.467 -8.094 5.760) 11.340 2.953 ( 2.788 1.792 -3.298) 4.676 3.035 ( 2.138 0.985 -5.983) 6.430 3.946 ( -4.256 9.317 6.763) 12.274 4.161 ( -2.530 -5.686 4.690) 7.793 4.900 ( 3.321 0.604 -4.440) 5.577 5.011 ( 3.038 0.586 -5.828) 6.598 5.510 ( 3.342 8.206 -8.168) 12.050 5.571 ( 3.550 -4.855 -4.301) 7.395 6.037 ( -3.372 4.128 4.851) 7.207 6.055 ( -2.486 -1.784 5.608) 6.388 6.376 ( 0.043 -0.832 -0.392) 0.921 6.440 ( 0.533 -1.271 -1.143) 1.791 6.597 ( 0.196 3.246 -0.179) 3.256 6.661 ( -0.030 0.927 0.074) 0.931 7.232 ( 0.142 1.236 -0.590) 1.377 7.330 ( 1.382 -0.322 -2.047) 2.491 ======================= Grid point 506 (240/477) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -10.742 0.000 8.992) 14.009 0.952 ( -6.177 0.000 -4.240) 7.492 1.542 ( -11.618 0.000 23.938) 26.608 2.176 ( 5.930 -0.000 -19.614) 20.491 2.709 ( 6.326 -0.000 -16.398) 17.576 4.214 ( 7.204 -0.000 -15.614) 17.196 4.597 ( -2.868 0.000 4.986) 5.752 4.824 ( -3.381 0.000 2.977) 4.505 5.171 ( -2.650 0.000 1.534) 3.062 5.587 ( -4.694 0.000 10.347) 11.362 5.892 ( -0.286 0.000 -2.359) 2.376 6.325 ( -0.235 0.000 1.870) 1.884 6.463 ( 6.072 -0.000 -6.195) 8.675 6.580 ( -0.696 0.000 -3.742) 3.807 6.765 ( -1.610 0.000 -1.147) 1.977 6.920 ( -2.103 0.000 0.161) 2.110 7.379 ( -2.655 0.000 1.551) 3.075 7.658 ( -2.461 0.000 -0.309) 2.481 ======================= Grid point 507 (241/477) ======================= q-point: (-0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -6.853 -0.922 -2.220) 7.262 1.049 ( -9.188 -15.218 8.292) 19.615 1.623 ( -10.980 -7.532 21.619) 25.391 2.097 ( 6.196 3.486 -18.094) 19.441 2.793 ( 6.303 -9.232 -14.597) 18.385 4.191 ( 7.086 1.499 -15.027) 16.682 4.701 ( -1.921 -9.807 4.468) 10.947 4.807 ( -3.091 0.439 1.908) 3.659 5.226 ( -2.411 -5.734 3.543) 7.158 5.573 ( -4.186 1.715 7.692) 8.924 5.890 ( 0.397 -0.518 -2.819) 2.893 6.240 ( -0.046 8.436 -0.958) 8.491 6.438 ( 3.017 2.738 -0.920) 4.177 6.520 ( 0.591 4.187 -3.004) 5.187 6.755 ( -0.838 0.213 -0.058) 0.866 6.927 ( -1.207 -1.422 -0.833) 2.043 7.381 ( -2.309 -0.817 1.933) 3.120 7.632 ( -2.558 1.099 -0.647) 2.858 ======================= Grid point 508 (242/477) ======================= q-point: (-0.36 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -5.214 -11.017 3.624) 12.716 1.370 ( -7.506 -17.252 9.107) 20.902 1.863 ( -4.497 -16.637 10.099) 19.975 2.081 ( 3.808 -5.054 -7.829) 10.067 3.020 ( 5.917 -14.200 -10.181) 18.447 4.144 ( 6.137 2.376 -12.860) 14.446 4.782 ( -3.440 -0.427 0.017) 3.467 4.950 ( 1.749 -12.550 3.031) 13.029 5.317 ( -3.003 -0.353 7.268) 7.872 5.557 ( -0.730 -1.947 1.431) 2.525 5.890 ( 1.241 -0.088 -4.373) 4.546 6.074 ( -1.906 6.254 2.995) 7.192 6.371 ( -0.170 4.670 -0.574) 4.708 6.457 ( 3.455 2.486 -0.537) 4.291 6.733 ( -1.090 2.028 2.414) 3.336 6.942 ( 0.529 -0.526 -1.418) 1.602 7.382 ( -1.710 0.485 2.339) 2.937 7.582 ( -2.091 2.406 -0.788) 3.284 ======================= Grid point 509 (243/477) ======================= q-point: (-0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -3.539 -18.973 7.837) 20.831 1.658 ( -6.271 -14.303 8.587) 17.823 2.195 ( 7.485 -13.917 -9.569) 18.473 2.367 ( -4.228 -23.268 12.333) 26.672 3.333 ( 5.488 -16.431 -4.830) 17.984 4.097 ( 4.623 1.657 -8.651) 9.948 4.785 ( -1.934 -1.925 -2.583) 3.758 5.178 ( 0.955 -6.026 3.902) 7.243 5.261 ( 0.918 2.350 0.630) 2.600 5.617 ( 0.559 -1.078 3.422) 3.631 5.920 ( 0.847 -4.642 -2.363) 5.277 6.008 ( -2.292 1.360 3.972) 4.783 6.288 ( 0.308 3.251 0.116) 3.268 6.437 ( 3.339 1.395 -1.200) 3.813 6.679 ( -1.951 3.589 4.462) 6.049 6.941 ( 1.161 0.943 -0.857) 1.724 7.359 ( -0.774 1.686 2.234) 2.904 7.511 ( -1.294 3.610 -0.486) 3.865 ======================= Grid point 510 (244/477) ======================= q-point: (-0.21 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -5.054 -18.888 9.796) 21.869 1.954 ( -2.608 -17.136 4.679) 17.954 2.465 ( 4.047 -12.041 -3.103) 13.077 2.843 ( -0.119 -21.065 6.065) 21.921 3.644 ( 5.596 -11.716 -1.335) 13.052 4.102 ( 1.411 -2.835 -1.663) 3.577 4.814 ( -1.009 -2.937 -4.564) 5.520 5.167 ( -0.095 2.186 2.253) 3.140 5.313 ( 4.597 -0.335 -2.223) 5.117 5.658 ( 0.021 -3.287 4.070) 5.231 5.946 ( -0.690 2.815 -1.562) 3.293 6.063 ( 0.432 -5.595 2.424) 6.113 6.261 ( 1.080 -0.265 0.393) 1.179 6.434 ( 2.213 0.157 -1.376) 2.611 6.610 ( -2.170 3.594 5.387) 6.830 6.907 ( 0.476 2.936 0.002) 2.974 7.329 ( 0.383 1.807 1.568) 2.423 7.432 ( -0.525 3.589 -0.361) 3.645 ======================= Grid point 511 (245/477) ======================= q-point: (-0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -8.010 -16.039 10.289) 20.671 2.317 ( 1.457 -18.538 0.340) 18.598 2.652 ( 1.927 -5.061 0.424) 5.432 3.161 ( 1.723 -8.943 0.872) 9.149 3.829 ( 4.748 -5.899 -0.377) 7.582 4.190 ( -2.652 -3.485 6.011) 7.437 4.852 ( -0.067 -2.655 -5.282) 5.912 5.114 ( 0.688 4.279 0.192) 4.338 5.351 ( 5.348 -3.607 -4.597) 7.921 5.749 ( 0.417 -2.446 1.490) 2.894 5.862 ( -0.429 2.716 -1.925) 3.357 6.150 ( 0.235 -2.198 2.000) 2.981 6.306 ( 0.038 -2.661 0.935) 2.821 6.440 ( 1.371 0.195 -0.452) 1.457 6.567 ( -0.742 0.851 3.843) 4.005 6.833 ( -0.679 4.520 0.633) 4.614 7.304 ( 1.200 1.742 0.885) 2.293 7.369 ( 0.169 2.424 -1.072) 2.655 ======================= Grid point 512 (246/477) ======================= q-point: (-0.07 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -8.645 -13.736 8.715) 18.422 2.584 ( 2.232 -0.509 1.291) 2.628 2.751 ( 1.898 -10.607 -0.351) 10.781 3.199 ( 2.521 5.504 -3.840) 7.169 3.971 ( 1.185 -6.443 2.504) 7.013 4.173 ( -4.646 5.356 8.037) 10.718 4.884 ( 1.755 -1.979 -4.745) 5.432 5.042 ( 1.992 2.755 -4.056) 5.292 5.468 ( 4.331 -5.958 -5.026) 8.917 5.665 ( 3.092 7.624 -6.600) 10.548 5.927 ( -2.685 -6.445 4.615) 8.369 6.155 ( -1.753 2.862 4.094) 5.294 6.339 ( -1.480 -1.470 0.770) 2.224 6.443 ( 2.235 0.256 -1.138) 2.521 6.593 ( 0.903 -1.937 1.101) 2.404 6.735 ( -1.389 5.044 0.510) 5.257 7.272 ( 0.694 2.421 0.196) 2.526 7.337 ( 1.239 0.792 -2.037) 2.513 ======================= Grid point 521 (247/477) ======================= q-point: (-0.43 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -8.780 0.000 -4.651) 9.936 0.847 ( -11.822 0.000 9.611) 15.235 1.554 ( -13.526 0.000 24.088) 27.626 2.126 ( 7.495 -0.000 -19.611) 20.995 2.678 ( 6.857 -0.000 -16.492) 17.860 4.201 ( 8.304 -0.000 -15.691) 17.753 4.594 ( -3.339 0.000 5.031) 6.038 4.802 ( -3.764 0.000 2.980) 4.801 5.153 ( -2.273 0.000 1.550) 2.752 5.593 ( -5.447 0.000 9.733) 11.154 5.879 ( 0.415 -0.000 -1.701) 1.751 6.332 ( 0.083 -0.000 0.595) 0.601 6.498 ( 6.391 -0.000 -4.957) 8.088 6.549 ( -0.590 0.000 -3.432) 3.483 6.737 ( -1.751 0.000 -1.356) 2.215 6.894 ( -2.566 0.000 0.228) 2.576 7.363 ( -2.124 0.000 2.125) 3.005 7.625 ( -2.969 0.000 -0.378) 2.993 ======================= Grid point 522 (248/477) ======================= q-point: (-0.36 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -8.716 -3.557 -1.883) 9.600 0.996 ( -9.734 -16.730 9.036) 21.360 1.628 ( -13.009 -7.906 22.241) 26.951 2.061 ( 7.616 2.751 -17.639) 19.409 2.775 ( 6.940 -10.043 -14.354) 18.843 4.181 ( 8.148 1.764 -15.157) 17.298 4.700 ( -3.368 -8.962 4.340) 10.512 4.790 ( -1.663 -1.385 1.896) 2.877 5.224 ( -2.065 -6.897 3.587) 8.043 5.569 ( -4.752 2.116 7.102) 8.803 5.883 ( 1.180 -0.344 -2.121) 2.451 6.231 ( -0.312 8.843 -0.936) 8.897 6.457 ( 1.032 4.242 -1.270) 4.547 6.523 ( 3.054 2.081 -2.005) 4.204 6.745 ( -0.655 -0.861 -0.063) 1.084 6.906 ( -1.567 -2.146 -0.837) 2.786 7.372 ( -1.808 -0.957 2.478) 3.213 7.597 ( -2.849 0.961 -0.381) 3.031 ======================= Grid point 523 (249/477) ======================= q-point: (-0.29 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -6.373 -14.556 3.809) 16.340 1.338 ( -8.549 -18.013 9.521) 22.095 1.875 ( -5.106 -17.701 10.779) 21.345 2.080 ( 4.542 -6.688 -7.451) 10.995 3.025 ( 6.304 -15.332 -9.812) 19.263 4.137 ( 7.353 2.296 -13.183) 15.269 4.741 ( -4.090 -0.718 0.700) 4.211 4.993 ( 2.857 -12.875 2.040) 13.345 5.326 ( -3.248 0.199 6.752) 7.495 5.556 ( -0.742 -3.718 1.064) 3.938 5.883 ( 2.070 0.265 -3.550) 4.118 6.067 ( -2.799 5.855 3.284) 7.274 6.364 ( -0.249 4.463 -0.714) 4.527 6.497 ( 4.162 2.406 -0.680) 4.855 6.736 ( -1.266 1.801 2.583) 3.394 6.937 ( 0.144 -1.423 -1.565) 2.120 7.381 ( -1.289 0.196 2.665) 2.967 7.554 ( -2.216 1.936 -0.406) 2.971 ======================= Grid point 524 (250/477) ======================= q-point: (-0.21 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -5.158 -20.318 7.224) 22.173 1.635 ( -7.638 -15.276 8.993) 19.302 2.222 ( 8.386 -13.972 -10.259) 19.256 2.394 ( -4.667 -24.371 11.892) 27.517 3.364 ( 5.253 -17.712 -4.733) 19.071 4.100 ( 6.071 1.450 -9.314) 11.212 4.746 ( -2.364 -1.915 -1.873) 3.573 5.206 ( -0.666 -2.256 4.089) 4.717 5.280 ( 2.921 -1.618 -1.355) 3.604 5.640 ( -0.172 -1.495 2.954) 3.315 5.920 ( 1.627 -4.547 -2.075) 5.257 6.000 ( -3.699 0.720 4.192) 5.636 6.292 ( 0.283 2.572 0.065) 2.588 6.470 ( 4.057 2.192 -1.673) 4.906 6.683 ( -2.263 3.423 4.251) 5.908 6.944 ( 0.453 0.596 -1.122) 1.349 7.367 ( -0.343 1.357 2.259) 2.657 7.493 ( -1.373 3.067 -0.246) 3.370 ======================= Grid point 525 (251/477) ======================= q-point: (-0.14 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -7.793 -18.254 9.835) 22.151 1.951 ( -2.801 -18.558 3.870) 19.163 2.491 ( 4.856 -11.883 -4.905) 13.742 2.874 ( -0.743 -21.055 5.163) 21.691 3.693 ( 4.647 -12.553 -1.588) 13.479 4.111 ( 2.696 -2.667 -2.906) 4.777 4.773 ( -1.282 -2.908 -4.061) 5.157 5.178 ( -0.480 1.758 2.034) 2.731 5.348 ( 4.488 0.068 -3.340) 5.595 5.677 ( -0.565 -3.254 2.940) 4.422 5.923 ( -1.721 2.805 -1.435) 3.591 6.082 ( 0.201 -5.825 2.299) 6.266 6.274 ( 0.806 -0.482 0.263) 0.975 6.454 ( 3.088 0.858 -1.628) 3.594 6.616 ( -2.538 3.235 4.587) 6.160 6.907 ( -0.324 3.001 -0.394) 3.044 7.345 ( 0.797 1.539 1.314) 2.175 7.423 ( -0.699 3.277 -0.395) 3.374 ======================= Grid point 526 (252/477) ======================= q-point: (-0.07 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -9.923 -15.603 10.444) 21.236 2.330 ( 1.127 -19.202 -0.971) 19.259 2.677 ( 2.693 -5.322 -1.058) 6.058 3.179 ( 1.102 -8.412 -0.192) 8.486 3.872 ( 3.542 -5.264 -1.040) 6.429 4.197 ( -2.077 -3.380 4.723) 6.168 4.818 ( 0.069 -3.484 -5.172) 6.236 5.120 ( 0.165 4.710 0.106) 4.714 5.377 ( 4.885 -3.395 -5.603) 8.172 5.755 ( 0.007 -1.405 -0.435) 1.471 5.842 ( -1.304 1.388 -0.949) 2.128 6.163 ( 0.139 -1.823 1.560) 2.404 6.310 ( -0.544 -1.804 1.298) 2.288 6.458 ( 2.295 0.227 -0.600) 2.383 6.576 ( -1.302 0.295 2.530) 2.860 6.825 ( -1.293 4.686 0.270) 4.869 7.324 ( 1.366 1.907 0.671) 2.440 7.362 ( 0.005 2.159 -1.499) 2.628 ======================= Grid point 536 (253/477) ======================= q-point: (-0.36 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -10.530 0.000 -3.355) 11.051 0.777 ( -12.351 0.000 11.627) 16.962 1.543 ( -16.217 0.000 25.140) 29.917 2.097 ( 9.176 -0.000 -19.148) 21.233 2.655 ( 7.606 -0.000 -16.024) 17.737 4.202 ( 9.334 -0.000 -15.621) 18.197 4.586 ( -3.812 0.000 5.105) 6.371 4.778 ( -3.700 0.000 2.901) 4.702 5.141 ( -1.727 0.000 1.888) 2.559 5.589 ( -6.138 0.000 9.585) 11.382 5.882 ( 1.600 -0.000 -0.882) 1.827 6.335 ( 0.526 -0.000 -0.776) 0.938 6.524 ( -0.265 0.000 -2.722) 2.735 6.542 ( 6.059 -0.000 -3.574) 7.035 6.710 ( -1.631 0.000 -1.069) 1.950 6.866 ( -2.651 0.000 0.315) 2.670 7.358 ( -1.508 0.000 2.933) 3.298 7.590 ( -2.914 0.000 0.304) 2.930 ======================= Grid point 537 (254/477) ======================= q-point: (-0.29 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -9.929 -6.358 -0.372) 11.796 0.948 ( -9.768 -17.719 10.935) 22.999 1.613 ( -15.449 -8.776 23.696) 29.617 2.045 ( 9.110 2.154 -17.014) 19.420 2.768 ( 7.705 -10.737 -13.677) 19.019 4.181 ( 8.850 2.050 -15.058) 17.586 4.681 ( -4.523 -5.791 4.112) 8.421 4.795 ( 0.262 -5.910 1.678) 6.149 5.225 ( -1.830 -7.670 3.667) 8.696 5.558 ( -5.018 2.361 7.048) 8.968 5.892 ( 2.378 0.029 -1.296) 2.709 6.220 ( -0.444 9.260 -1.181) 9.346 6.451 ( -0.028 4.746 -1.323) 4.927 6.557 ( 3.965 1.234 -0.658) 4.204 6.740 ( -0.169 -1.742 -0.172) 1.759 6.882 ( -1.693 -2.733 -0.786) 3.310 7.373 ( -1.251 -0.929 3.185) 3.546 7.566 ( -2.606 0.951 0.569) 2.832 ======================= Grid point 538 (255/477) ======================= q-point: (-0.21 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -7.194 -17.540 3.928) 19.361 1.300 ( -9.629 -17.991 10.667) 23.026 1.884 ( -6.675 -19.724 13.078) 24.589 2.090 ( 6.418 -7.271 -8.772) 13.077 3.037 ( 6.595 -16.037 -9.315) 19.684 4.141 ( 8.234 2.067 -13.264) 15.748 4.702 ( -3.790 -0.827 1.521) 4.167 5.038 ( 3.533 -12.978 0.525) 13.460 5.330 ( -3.361 0.867 6.188) 7.095 5.553 ( -0.909 -5.182 0.790) 5.320 5.892 ( 3.087 0.590 -2.596) 4.076 6.052 ( -3.564 5.932 3.177) 7.615 6.357 ( -0.245 4.118 -0.500) 4.155 6.540 ( 4.007 2.534 -0.529) 4.770 6.737 ( -1.278 1.824 2.194) 3.126 6.926 ( -0.213 -2.073 -1.753) 2.723 7.387 ( -0.849 0.069 3.052) 3.169 7.529 ( -1.975 1.674 0.431) 2.625 ======================= Grid point 539 (256/477) ======================= q-point: (-0.14 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -6.786 -21.052 6.599) 23.082 1.601 ( -8.466 -16.340 9.243) 20.594 2.253 ( 9.110 -13.459 -11.288) 19.788 2.413 ( -5.239 -25.192 11.376) 28.133 3.390 ( 4.682 -18.428 -4.914) 19.638 4.115 ( 7.312 1.261 -9.827) 12.313 4.710 ( -2.197 -1.654 -1.070) 2.951 5.217 ( -1.688 0.737 3.709) 4.141 5.307 ( 3.980 -4.503 -3.025) 6.728 5.650 ( -0.943 -1.921 2.243) 3.100 5.927 ( 1.359 -2.429 -1.593) 3.207 5.981 ( -3.921 -1.090 3.970) 5.686 6.295 ( 0.117 2.022 -0.013) 2.025 6.506 ( 3.955 2.676 -1.510) 5.009 6.681 ( -2.447 3.410 3.296) 5.337 6.936 ( -0.243 0.421 -1.538) 1.613 7.380 ( 0.014 1.137 2.188) 2.466 7.478 ( -1.250 2.794 0.234) 3.070 ======================= Grid point 540 (257/477) ======================= q-point: (-0.07 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -9.781 -17.772 9.863) 22.557 1.940 ( -2.810 -19.823 2.728) 20.207 2.511 ( 5.238 -11.686 -6.794) 14.496 2.891 ( -1.661 -20.923 4.139) 21.393 3.726 ( 3.073 -13.201 -2.138) 13.722 4.126 ( 4.071 -2.032 -4.205) 6.196 4.735 ( -1.099 -2.782 -3.492) 4.598 5.182 ( -0.872 1.534 1.536) 2.339 5.371 ( 4.021 0.347 -4.543) 6.077 5.683 ( -1.092 -3.013 1.820) 3.686 5.891 ( -2.425 2.838 -0.985) 3.860 6.095 ( -0.193 -6.074 1.763) 6.327 6.282 ( 0.537 -0.559 -0.126) 0.785 6.482 ( 3.264 1.276 -1.366) 3.761 6.610 ( -2.858 3.045 3.245) 5.289 6.895 ( -1.018 3.017 -0.927) 3.316 7.363 ( 1.026 1.313 0.814) 1.854 7.412 ( -0.784 3.238 -0.201) 3.338 ======================= Grid point 551 (258/477) ======================= q-point: (-0.29 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -11.121 0.000 0.678) 11.141 0.723 ( -11.925 0.000 14.970) 19.139 1.509 ( -18.979 0.000 26.896) 32.918 2.089 ( 10.543 -0.000 -18.405) 21.210 2.647 ( 8.418 -0.000 -15.081) 17.271 4.211 ( 9.829 -0.000 -15.556) 18.401 4.573 ( -4.144 0.000 5.215) 6.661 4.755 ( -3.523 0.000 2.851) 4.532 5.138 ( -1.172 0.000 2.463) 2.728 5.580 ( -6.435 0.000 10.023) 11.911 5.906 ( 3.373 -0.000 -0.167) 3.378 6.335 ( 1.296 -0.000 -2.383) 2.712 6.509 ( 0.201 -0.000 -1.778) 1.790 6.587 ( 4.985 -0.000 -2.105) 5.411 6.689 ( -1.261 0.000 -0.324) 1.302 6.840 ( -2.138 0.000 0.285) 2.157 7.366 ( -0.905 0.000 3.678) 3.787 7.567 ( -2.122 0.000 1.787) 2.774 ======================= Grid point 552 (259/477) ======================= q-point: (-0.21 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -10.121 -8.409 3.043) 13.505 0.917 ( -9.420 -17.664 13.499) 24.145 1.583 ( -17.471 -10.131 25.566) 32.580 2.051 ( 10.542 1.541 -16.150) 19.348 2.775 ( 8.480 -11.223 -12.751) 18.986 4.187 ( 8.810 2.211 -14.713) 17.291 4.658 ( -3.925 -3.885 4.285) 6.990 4.810 ( 0.926 -9.561 0.636) 9.627 5.228 ( -1.788 -7.856 3.811) 8.913 5.547 ( -5.048 2.578 7.348) 9.280 5.921 ( 3.981 0.683 -0.640) 4.090 6.206 ( -0.414 9.838 -1.759) 10.003 6.445 ( 0.129 4.844 -0.711) 4.898 6.597 ( 3.110 1.055 0.506) 3.323 6.740 ( 0.651 -2.198 -0.572) 2.363 6.859 ( -1.504 -2.995 -0.721) 3.428 7.384 ( -0.758 -0.786 3.746) 3.902 7.549 ( -1.829 1.275 2.178) 3.117 ======================= Grid point 553 (260/477) ======================= q-point: (-0.14 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -7.463 -19.383 4.377) 21.227 1.258 ( -10.516 -17.250 12.316) 23.660 1.891 ( -8.359 -21.969 15.654) 28.241 2.114 ( 8.866 -6.927 -10.721) 15.542 3.055 ( 6.760 -16.121 -8.841) 19.589 4.153 ( 8.651 1.571 -13.086) 15.766 4.677 ( -2.803 -0.623 2.383) 3.731 5.077 ( 3.578 -12.902 -1.405) 13.463 5.331 ( -3.216 1.230 5.755) 6.707 5.544 ( -1.553 -5.842 0.479) 6.064 5.919 ( 3.972 1.086 -1.737) 4.469 6.028 ( -3.910 6.294 2.836) 7.934 6.352 ( -0.229 4.024 -0.153) 4.033 6.578 ( 2.750 2.612 0.145) 3.796 6.735 ( -0.766 2.205 1.091) 2.576 6.910 ( -0.476 -2.349 -1.969) 3.102 7.400 ( -0.541 0.108 3.286) 3.332 7.516 ( -1.443 1.764 1.637) 2.806 ======================= Grid point 554 (261/477) ======================= q-point: (-0.07 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -7.991 -21.194 6.196) 23.483 1.564 ( -8.490 -17.345 9.340) 21.452 2.283 ( 9.492 -12.346 -12.434) 19.928 2.420 ( -5.953 -25.529 10.802) 28.352 3.406 ( 3.951 -18.394 -5.379) 19.567 4.139 ( 8.188 1.020 -10.160) 13.088 4.684 ( -1.681 -1.093 -0.225) 2.018 5.218 ( -1.834 1.868 3.153) 4.098 5.327 ( 3.711 -5.129 -4.620) 7.837 5.647 ( -1.725 -2.620 1.487) 3.472 5.920 ( -2.474 2.007 1.045) 3.353 5.973 ( -0.292 -4.349 1.396) 4.577 6.295 ( -0.113 1.647 -0.098) 1.653 6.537 ( 2.352 2.748 -0.531) 3.656 6.672 ( -1.699 3.670 1.630) 4.360 6.919 ( -0.807 0.417 -2.049) 2.242 7.394 ( 0.079 1.086 1.883) 2.175 7.469 ( -0.869 2.857 0.956) 3.135 ======================= Grid point 566 (262/477) ======================= q-point: (-0.21 -0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -9.776 0.000 7.830) 12.525 0.703 ( -10.393 0.000 18.664) 21.363 1.460 ( -21.054 0.000 29.081) 35.902 2.099 ( 11.402 -0.000 -17.340) 20.753 2.654 ( 9.110 -0.000 -13.875) 16.599 4.222 ( 9.284 -0.000 -15.575) 18.132 4.559 ( -4.210 0.000 5.383) 6.833 4.735 ( -3.450 0.000 3.295) 4.771 5.145 ( -0.772 0.000 3.123) 3.217 5.572 ( -6.505 0.000 10.551) 12.395 5.957 ( 5.590 -0.000 -0.113) 5.591 6.333 ( 2.312 -0.000 -4.598) 5.146 6.506 ( 0.735 -0.000 -0.764) 1.060 6.627 ( 3.484 -0.000 -0.530) 3.524 6.678 ( -0.726 0.000 0.715) 1.019 6.823 ( -0.844 0.000 -0.140) 0.855 7.383 ( -0.466 0.000 3.902) 3.930 7.569 ( -0.620 0.000 3.807) 3.857 ======================= Grid point 567 (263/477) ======================= q-point: (-0.14 -0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -8.587 -8.456 8.430) 14.707 0.907 ( -8.972 -16.219 16.030) 24.506 1.548 ( -18.315 -11.853 27.303) 34.948 2.079 ( 12.009 0.761 -14.993) 19.225 2.797 ( 9.102 -11.468 -11.900) 18.868 4.191 ( 8.059 1.944 -14.044) 16.308 4.651 ( -2.305 -3.166 4.509) 5.973 4.819 ( 0.369 -12.129 -0.698) 12.154 5.233 ( -1.786 -7.449 4.079) 8.678 5.537 ( -5.233 2.918 7.647) 9.715 5.972 ( 5.430 1.660 -0.637) 5.713 6.189 ( -0.309 10.483 -2.466) 10.774 6.446 ( 0.565 5.149 -0.024) 5.180 6.631 ( 1.633 1.180 1.394) 2.450 6.747 ( 1.487 -2.290 -1.198) 2.982 6.841 ( -0.814 -2.701 -0.753) 2.920 7.401 ( -0.477 -0.629 3.807) 3.888 7.554 ( -0.945 2.104 4.064) 4.673 ======================= Grid point 568 (264/477) ======================= q-point: (-0.07 -0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -6.948 -19.458 5.543) 21.392 1.221 ( -10.731 -16.163 14.085) 23.974 1.895 ( -9.487 -23.564 17.297) 30.732 2.153 ( 10.904 -5.801 -12.311) 17.439 3.076 ( 6.732 -15.544 -8.590) 18.993 4.170 ( 8.804 0.788 -12.721) 15.490 4.670 ( -1.642 -0.036 3.130) 3.534 5.098 ( 2.719 -12.924 -3.518) 13.667 5.331 ( -2.949 1.305 5.317) 6.219 5.524 ( -2.414 -5.726 0.673) 6.251 5.955 ( 3.357 2.062 -0.730) 4.007 6.003 ( -2.776 6.464 2.000) 7.313 6.349 ( -0.262 4.302 0.165) 4.314 6.599 ( -0.054 2.709 1.316) 3.012 6.736 ( 0.842 2.728 -0.541) 2.906 6.890 ( -0.536 -2.161 -2.237) 3.156 7.415 ( -0.513 0.291 3.175) 3.229 7.518 ( -0.877 2.151 2.936) 3.744 ======================= Grid point 581 (265/477) ======================= q-point: (-0.14 -0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -6.303 0.000 14.858) 16.140 0.725 ( -8.258 0.000 21.178) 22.731 1.408 ( -21.767 0.000 31.323) 38.143 2.127 ( 12.201 -0.000 -15.602) 19.806 2.675 ( 9.519 -0.000 -12.690) 15.864 4.219 ( 7.566 -0.000 -15.129) 16.915 4.548 ( -3.987 0.000 5.601) 6.875 4.722 ( -3.025 0.000 4.545) 5.460 5.159 ( -0.610 0.000 3.719) 3.769 5.565 ( -6.759 0.000 10.610) 12.580 6.025 ( 6.907 -0.000 -1.245) 7.018 6.326 ( 2.780 -0.000 -7.114) 7.638 6.516 ( 1.275 -0.000 0.189) 1.289 6.658 ( 2.092 -0.000 0.110) 2.095 6.681 ( -0.166 0.000 1.786) 1.794 6.820 ( 0.945 -0.000 -0.947) 1.338 7.403 ( -0.248 0.000 3.580) 3.589 7.598 ( 0.337 -0.000 5.034) 5.045 ======================= Grid point 582 (266/477) ======================= q-point: (-0.07 -0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -5.321 -6.011 13.474) 15.684 0.918 ( -8.491 -13.664 18.057) 24.184 1.520 ( -17.759 -13.544 28.340) 36.083 2.132 ( 13.541 0.154 -13.828) 19.355 2.827 ( 9.328 -11.476 -11.438) 18.697 4.191 ( 7.401 1.037 -13.086) 15.070 4.663 ( -0.628 -3.141 4.327) 5.383 4.808 ( -1.219 -13.241 -1.123) 13.344 5.241 ( -1.609 -6.703 4.376) 8.165 5.525 ( -5.670 3.225 7.932) 10.270 6.029 ( 5.427 2.742 -1.387) 6.237 6.169 ( -0.108 10.669 -2.823) 11.036 6.456 ( 0.907 5.756 0.421) 5.842 6.647 ( -0.499 1.834 1.329) 2.319 6.757 ( 1.651 -2.521 -1.372) 3.311 6.834 ( 0.747 -1.647 -1.045) 2.089 7.420 ( -0.387 -0.476 3.563) 3.616 7.574 ( -1.112 2.975 5.311) 6.188 ======================= Grid point 596 (267/477) ======================= q-point: (-0.07 -0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -2.704 0.000 17.391) 17.600 0.781 ( -6.390 0.000 21.742) 22.662 1.372 ( -20.814 0.000 33.025) 39.037 2.180 ( 13.621 -0.000 -13.537) 19.204 2.705 ( 9.560 -0.000 -11.784) 15.174 4.204 ( 6.241 -0.000 -13.494) 14.868 4.541 ( -3.555 0.000 5.814) 6.815 4.727 ( -1.921 0.000 5.725) 6.039 5.178 ( -0.674 0.000 4.151) 4.206 5.553 ( -7.146 0.000 10.348) 12.576 6.087 ( 5.903 -0.000 -2.800) 6.534 6.303 ( 1.957 -0.000 -8.192) 8.422 6.537 ( 1.745 -0.000 0.946) 1.984 6.667 ( -0.342 0.000 -1.171) 1.220 6.696 ( 0.280 -0.000 2.630) 2.645 6.833 ( 2.689 -0.000 -1.433) 3.047 7.423 ( -0.095 0.000 3.297) 3.299 7.625 ( -1.779 0.000 5.138) 5.437 ======================= Grid point 597 (268/477) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -4.144 0.000 16.722) 17.228 1.219 ( -6.190 0.000 17.270) 18.346 1.928 ( -4.932 0.000 11.770) 12.762 2.013 ( 3.773 -0.000 0.759) 3.848 2.510 ( 9.376 -0.000 -12.002) 15.230 3.944 ( 9.313 -0.000 -14.052) 16.858 4.641 ( -2.024 0.000 4.150) 4.617 4.868 ( -1.736 0.000 6.079) 6.322 5.279 ( -0.908 0.000 3.965) 4.068 5.706 ( -4.833 0.000 6.784) 8.330 6.035 ( 1.973 -0.000 -4.251) 4.686 6.165 ( 2.254 -0.000 -4.095) 4.674 6.592 ( 1.742 -0.000 1.212) 2.122 6.615 ( -3.912 0.000 0.059) 3.913 6.778 ( 0.529 -0.000 2.776) 2.826 6.818 ( 4.319 -0.000 -2.744) 5.117 7.492 ( 0.395 -0.000 1.971) 2.010 7.743 ( -2.809 0.000 5.469) 6.148 ======================= Grid point 598 (269/477) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -3.524 1.233 15.215) 15.666 1.337 ( -6.309 -8.779 16.331) 19.585 1.993 ( 7.556 -2.294 -8.177) 11.368 2.007 ( -8.593 -1.469 15.286) 17.597 2.643 ( 7.634 -11.036 -11.864) 17.912 3.958 ( 9.688 -0.600 -14.037) 17.066 4.737 ( -1.647 -8.619 2.238) 9.056 4.856 ( -1.801 1.892 5.036) 5.673 5.347 ( -1.790 -5.441 3.922) 6.942 5.648 ( -3.294 5.320 6.039) 8.696 6.013 ( 0.860 1.457 -3.535) 3.919 6.113 ( 1.984 4.818 -1.964) 5.568 6.498 ( -0.391 6.950 1.288) 7.079 6.602 ( -2.779 1.683 -0.051) 3.249 6.780 ( 0.404 0.790 0.851) 1.229 6.831 ( 3.765 0.797 -2.378) 4.524 7.505 ( -0.151 -0.106 1.944) 1.952 7.709 ( -2.295 3.224 4.924) 6.318 ======================= Grid point 599 (270/477) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -3.699 -5.545 12.244) 13.941 1.554 ( -6.443 -11.289 16.476) 20.986 1.958 ( 7.877 1.378 -14.661) 16.700 2.189 ( -8.154 -13.205 10.839) 18.929 2.902 ( 4.182 -15.081 -9.390) 18.251 3.989 ( 9.584 -1.456 -13.769) 16.839 4.796 ( -0.629 3.888 3.978) 5.598 4.935 ( -1.960 -10.411 -1.181) 10.659 5.416 ( -3.862 2.125 5.285) 6.882 5.541 ( -0.025 2.855 1.086) 3.055 5.983 ( 0.244 1.112 -1.082) 1.570 6.019 ( 0.662 4.380 0.134) 4.431 6.364 ( 0.226 6.365 0.775) 6.416 6.536 ( -3.900 2.555 0.520) 4.691 6.760 ( -0.128 1.222 -0.634) 1.382 6.807 ( 3.126 2.732 -2.020) 4.617 7.487 ( -1.032 2.419 1.907) 3.249 7.636 ( -0.663 4.579 2.817) 5.417 ======================= Grid point 600 (271/477) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -3.758 -13.709 8.567) 16.597 1.783 ( -6.780 -9.777 15.277) 19.364 2.000 ( 6.961 -8.370 -15.547) 18.980 2.471 ( -4.663 -16.376 3.773) 17.440 3.210 ( 0.167 -17.306 -4.771) 17.953 4.030 ( 7.784 -1.842 -11.748) 14.213 4.721 ( 1.147 4.195 0.884) 4.438 5.100 ( -1.439 -7.505 -1.541) 7.795 5.262 ( -0.723 9.425 1.039) 9.509 5.546 ( -2.767 -1.142 1.667) 3.427 5.921 ( 0.117 4.477 2.132) 4.960 6.000 ( 0.728 -1.015 -1.356) 1.844 6.276 ( 0.180 2.969 -0.391) 3.000 6.478 ( -3.838 1.317 1.395) 4.291 6.728 ( -0.292 2.021 0.201) 2.052 6.761 ( 2.287 2.421 -1.861) 3.815 7.418 ( -1.087 4.324 1.249) 4.630 7.544 ( 0.143 5.094 0.991) 5.191 ======================= Grid point 601 (272/477) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -2.490 -18.120 5.774) 19.180 1.973 ( -3.991 -10.870 6.906) 13.483 2.260 ( 4.108 -16.278 -5.759) 17.748 2.769 ( -1.110 -14.715 -1.152) 14.801 3.516 ( -3.635 -14.516 0.338) 14.968 4.086 ( 4.590 -4.189 -7.019) 9.375 4.669 ( 4.118 1.968 -2.873) 5.393 5.115 ( 0.238 4.911 -1.273) 5.079 5.187 ( -0.935 -1.946 -1.150) 2.446 5.561 ( -2.273 -2.127 2.715) 4.131 5.843 ( 1.137 4.210 0.358) 4.375 6.045 ( 0.291 -3.904 -0.707) 3.978 6.234 ( 0.106 1.160 -1.287) 1.736 6.448 ( -3.142 0.421 1.651) 3.574 6.679 ( -0.917 2.927 1.567) 3.445 6.732 ( 1.988 1.392 -1.208) 2.711 7.326 ( -0.582 4.590 0.428) 4.646 7.453 ( 0.210 4.441 -0.007) 4.446 ======================= Grid point 602 (273/477) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -1.021 -19.744 5.030) 20.400 2.223 ( -1.898 -14.215 4.841) 15.136 2.570 ( 2.449 -13.266 -1.811) 13.611 2.992 ( 1.275 -7.994 -3.448) 8.799 3.703 ( -5.797 -7.571 4.417) 10.508 4.218 ( 1.287 -7.725 -0.810) 7.874 4.678 ( 6.416 -1.143 -5.795) 8.721 5.057 ( 0.492 1.976 -1.410) 2.477 5.165 ( 0.113 1.339 -2.156) 2.541 5.620 ( 1.178 -1.207 -0.392) 1.732 5.808 ( -0.342 -2.563 1.678) 3.082 6.135 ( -0.010 -4.032 0.110) 4.033 6.244 ( 0.288 -3.311 -1.208) 3.536 6.433 ( -2.192 -0.164 1.053) 2.437 6.609 ( -1.746 4.237 2.279) 5.118 6.716 ( 2.145 1.408 -0.483) 2.610 7.247 ( -0.156 3.109 -0.049) 3.114 7.375 ( 0.398 3.536 -0.761) 3.639 ======================= Grid point 603 (274/477) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -0.682 -17.073 5.969) 18.100 2.512 ( -0.747 -13.836 2.613) 14.101 2.743 ( 0.195 -4.212 -0.105) 4.217 3.052 ( 2.026 1.727 -3.430) 4.342 3.853 ( -4.749 -10.406 6.550) 13.181 4.309 ( -1.470 0.059 2.742) 3.112 4.738 ( 6.763 -2.945 -6.989) 10.161 4.981 ( 0.275 4.737 -1.708) 5.043 5.219 ( 2.735 -6.696 -4.435) 8.485 5.578 ( 2.425 4.027 -3.770) 6.025 5.960 ( -1.955 -9.911 4.623) 11.110 6.175 ( -0.615 -0.177 1.564) 1.690 6.337 ( 0.128 -4.050 -0.661) 4.106 6.459 ( -0.583 -4.362 -0.655) 4.449 6.513 ( -1.747 4.939 2.484) 5.798 6.692 ( 1.891 2.126 -0.521) 2.893 7.209 ( 0.038 0.654 -0.200) 0.685 7.318 ( 0.923 2.219 -1.498) 2.832 ======================= Grid point 604 (275/477) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -1.933 -5.330 4.537) 7.262 2.616 ( -4.329 1.410 5.847) 7.410 2.897 ( 2.050 -11.494 -3.987) 12.338 2.936 ( 1.997 8.436 -2.317) 8.974 4.078 ( -2.185 -10.078 5.955) 11.908 4.228 ( -3.171 5.538 3.191) 7.135 4.804 ( 4.907 -1.067 -5.964) 7.797 4.906 ( 1.326 0.818 -4.584) 4.842 5.367 ( 2.666 -6.524 -5.440) 8.903 5.500 ( 2.339 3.376 -3.567) 5.439 6.122 ( -1.963 -1.095 3.873) 4.478 6.144 ( -1.992 -0.607 2.980) 3.635 6.376 ( -0.886 -0.852 1.079) 1.635 6.433 ( 0.195 2.275 0.428) 2.323 6.581 ( 0.623 -6.462 -1.371) 6.636 6.655 ( 0.576 1.803 -0.928) 2.108 7.220 ( -0.035 -1.802 -0.235) 1.818 7.292 ( 1.385 0.606 -2.172) 2.647 ======================= Grid point 605 (276/477) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -7.904 12.094 6.538) 15.858 2.600 ( -1.267 9.706 0.062) 9.788 2.753 ( 1.543 5.072 -1.357) 5.473 3.106 ( 2.185 -6.458 -5.009) 8.461 4.027 ( -0.615 8.411 1.483) 8.562 4.287 ( -3.484 -4.078 4.277) 6.861 4.760 ( 1.733 3.561 -6.241) 7.392 4.980 ( 1.207 -7.108 -1.998) 7.482 5.346 ( 1.893 5.111 -7.297) 9.108 5.552 ( 2.835 -6.055 -4.079) 7.832 6.001 ( -2.790 7.905 3.408) 9.049 6.188 ( -0.651 -0.023 0.042) 0.653 6.372 ( -1.517 0.998 2.140) 2.806 6.445 ( 2.242 -1.540 -0.579) 2.781 6.602 ( -1.089 1.197 0.039) 1.619 6.709 ( -0.813 -5.386 -1.621) 5.683 7.270 ( -0.357 -3.135 -0.798) 3.255 7.295 ( 1.483 -0.981 -1.861) 2.574 ======================= Grid point 606 (277/477) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -7.874 16.720 4.403) 18.999 2.316 ( -4.253 14.881 3.065) 15.777 2.620 ( 1.881 10.929 -5.146) 12.225 3.109 ( 1.723 5.555 -6.140) 8.457 3.889 ( -0.117 6.126 0.785) 6.177 4.221 ( -1.281 9.579 -1.092) 9.725 4.685 ( 0.399 2.362 -5.125) 5.657 5.131 ( -1.397 -6.213 0.306) 6.375 5.259 ( 2.273 0.660 -6.024) 6.472 5.661 ( 1.311 -4.483 -4.937) 6.796 5.852 ( -2.508 5.174 1.878) 6.049 6.166 ( 0.123 1.624 -0.862) 1.843 6.320 ( -0.801 3.813 -0.972) 4.015 6.471 ( 3.263 0.115 -0.940) 3.398 6.604 ( -4.088 -2.413 2.769) 5.495 6.787 ( -1.137 -3.747 -2.104) 4.446 7.313 ( -0.171 -2.474 -1.989) 3.178 7.348 ( 0.630 -3.391 0.249) 3.458 ======================= Grid point 607 (278/477) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -7.115 20.249 2.046) 21.559 2.032 ( -7.992 12.815 9.808) 18.008 2.330 ( 3.855 16.398 -10.579) 19.891 2.891 ( 0.302 14.785 -3.994) 15.318 3.701 ( -2.652 15.885 0.736) 16.121 4.013 ( 6.187 7.161 -8.821) 12.937 4.656 ( -0.451 -0.691 -2.048) 2.208 5.171 ( 0.333 -2.104 -2.737) 3.468 5.299 ( -1.097 -1.028 -1.842) 2.378 5.678 ( -2.039 -0.034 -0.586) 2.122 5.844 ( -1.078 -3.946 -0.543) 4.126 6.090 ( -0.301 6.240 -1.726) 6.481 6.263 ( 0.050 0.180 -1.534) 1.546 6.490 ( 3.325 -0.754 -0.851) 3.514 6.645 ( -4.069 -2.910 2.943) 5.804 6.828 ( -1.224 -2.047 -2.986) 3.821 7.365 ( -0.558 -3.416 -0.573) 3.508 7.422 ( 0.321 -3.798 0.886) 3.914 ======================= Grid point 608 (279/477) ======================= q-point: (-0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -7.001 19.567 4.981) 21.371 1.775 ( -10.171 12.870 14.642) 21.988 2.033 ( 8.267 11.583 -14.341) 20.203 2.557 ( -2.930 17.351 2.394) 17.759 3.298 ( 0.256 21.325 -3.804) 21.663 3.952 ( 9.300 2.000 -11.696) 15.076 4.690 ( -0.839 -3.001 1.510) 3.463 5.212 ( 0.309 6.374 -5.091) 8.164 5.266 ( -1.154 -6.768 1.447) 7.017 5.651 ( -3.941 3.121 1.125) 5.152 5.921 ( -1.170 -3.656 0.823) 3.926 5.980 ( 0.649 2.202 -0.723) 2.407 6.282 ( 0.045 -2.147 -0.712) 2.263 6.536 ( 2.636 -2.436 -1.364) 3.840 6.688 ( -2.382 -2.696 1.564) 3.923 6.836 ( -1.248 -0.577 -3.106) 3.397 7.428 ( -0.788 -3.190 1.112) 3.469 7.508 ( 0.173 -4.429 1.923) 4.831 ======================= Grid point 609 (280/477) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -5.915 10.470 12.495) 17.341 1.512 ( -8.010 12.942 15.245) 21.542 1.913 ( 10.573 2.467 -12.127) 16.277 2.233 ( -8.040 14.276 11.636) 20.095 2.910 ( 5.337 17.581 -8.536) 20.259 3.939 ( 9.825 0.970 -13.313) 16.574 4.758 ( -0.995 -2.966 4.413) 5.410 5.008 ( -1.279 11.513 -3.155) 12.005 5.433 ( -3.008 -5.247 4.874) 7.767 5.530 ( -0.627 3.193 0.977) 3.397 5.969 ( 2.768 -1.862 -1.194) 3.543 6.020 ( -2.262 -4.451 1.508) 5.215 6.353 ( 0.186 -5.441 0.281) 5.451 6.594 ( 0.386 -2.762 -1.330) 3.090 6.733 ( 0.802 -2.022 -0.241) 2.188 6.823 ( -0.951 0.182 -2.054) 2.271 7.477 ( -0.485 -1.472 2.128) 2.632 7.607 ( -0.381 -4.687 3.695) 5.981 ======================= Grid point 610 (281/477) ======================= q-point: (-0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -4.497 -0.669 17.325) 17.912 1.302 ( -6.453 9.224 17.039) 20.422 1.937 ( 13.875 -0.382 -13.952) 19.680 2.016 ( -13.933 6.019 22.912) 27.483 2.625 ( 8.626 12.009 -11.477) 18.718 3.938 ( 9.479 0.285 -13.980) 16.893 4.741 ( -1.468 8.413 2.283) 8.841 4.846 ( -2.063 -0.336 4.885) 5.313 5.339 ( -1.448 6.284 4.183) 7.687 5.648 ( -3.080 -6.366 5.315) 8.846 6.015 ( 2.617 -1.726 -3.166) 4.456 6.110 ( 0.371 -4.872 -1.498) 5.110 6.488 ( 0.729 -6.989 1.191) 7.127 6.631 ( -1.497 -1.359 -0.730) 2.149 6.764 ( 1.589 -0.391 0.363) 1.676 6.812 ( 1.530 0.389 -1.535) 2.202 7.492 ( 0.157 0.425 2.213) 2.259 7.700 ( -1.673 -3.638 5.100) 6.484 ======================= Grid point 612 (282/477) ======================= q-point: ( 0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -3.054 0.000 14.072) 14.399 1.253 ( -6.471 0.000 15.563) 16.855 1.940 ( -10.915 0.000 20.448) 23.179 2.056 ( 8.485 -0.000 -10.217) 13.281 2.531 ( 8.384 -0.000 -12.732) 15.245 3.961 ( 9.651 -0.000 -14.264) 17.223 4.646 ( -1.733 0.000 4.031) 4.387 4.885 ( -1.815 0.000 5.470) 5.763 5.290 ( -1.390 0.000 3.537) 3.800 5.698 ( -4.643 0.000 7.444) 8.774 6.019 ( 0.178 -0.000 -4.268) 4.272 6.172 ( 3.447 -0.000 -4.038) 5.310 6.564 ( -5.349 0.000 1.073) 5.456 6.615 ( 1.309 -0.000 0.396) 1.367 6.799 ( 0.305 -0.000 2.162) 2.183 6.852 ( 4.615 -0.000 -2.774) 5.385 7.506 ( -0.078 0.000 1.495) 1.497 7.742 ( -3.245 0.000 5.463) 6.354 ======================= Grid point 613 (283/477) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -2.498 1.529 12.501) 12.840 1.365 ( -6.546 -9.044 15.115) 18.792 1.993 ( -13.160 -4.972 21.965) 26.084 2.023 ( 10.289 3.182 -17.155) 20.256 2.646 ( 6.681 -10.227 -12.340) 17.364 3.977 ( 9.651 -0.692 -14.578) 17.497 4.734 ( -1.591 -8.013 2.545) 8.557 4.868 ( -1.654 2.335 4.774) 5.566 5.348 ( -2.240 -4.826 3.627) 6.439 5.651 ( -3.132 4.581 6.332) 8.419 5.992 ( -0.324 1.005 -3.645) 3.795 6.127 ( 2.887 4.842 -2.275) 6.079 6.492 ( -2.580 4.950 1.834) 5.875 6.575 ( -1.615 3.522 -0.331) 3.889 6.786 ( -0.076 1.672 0.581) 1.771 6.861 ( 4.124 1.096 -2.368) 4.880 7.511 ( -0.803 0.134 1.529) 1.732 7.713 ( -2.208 2.776 4.383) 5.639 ======================= Grid point 614 (284/477) ======================= q-point: ( 0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -2.688 -4.401 10.861) 12.023 1.587 ( -6.273 -11.608 16.142) 20.848 1.938 ( 5.650 2.281 -15.440) 16.599 2.168 ( -7.326 -12.391 10.429) 17.776 2.887 ( 3.784 -14.488 -9.368) 17.663 4.004 ( 8.763 -1.382 -14.161) 16.710 4.812 ( -0.566 3.877 3.073) 4.980 4.915 ( -1.250 -9.878 0.779) 9.987 5.408 ( -3.729 1.485 5.640) 6.922 5.545 ( -0.149 4.283 0.649) 4.334 5.972 ( -0.262 -0.344 -2.307) 2.347 6.032 ( 0.991 5.109 1.048) 5.309 6.372 ( 0.245 6.384 0.736) 6.431 6.495 ( -3.964 2.485 0.858) 4.757 6.751 ( -0.447 1.523 -0.776) 1.766 6.835 ( 3.518 3.004 -1.522) 4.870 7.485 ( -1.473 2.554 1.785) 3.447 7.644 ( -0.577 4.448 2.085) 4.946 ======================= Grid point 615 (285/477) ======================= q-point: ( 0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -2.365 -12.837 9.242) 15.994 1.802 ( -6.071 -7.710 12.976) 16.269 1.983 ( 6.291 -10.694 -12.823) 17.843 2.447 ( -4.137 -16.376 4.691) 17.530 3.185 ( 0.540 -16.752 -4.120) 17.260 4.036 ( 6.307 -1.740 -11.512) 13.241 4.742 ( 2.020 3.785 0.033) 4.290 5.084 ( -0.706 -7.401 0.346) 7.443 5.260 ( -0.748 9.622 1.129) 9.717 5.534 ( -1.957 -0.896 2.994) 3.687 5.939 ( 0.617 4.365 1.972) 4.829 5.996 ( 0.128 -1.413 -1.416) 2.004 6.275 ( 0.163 3.558 -0.445) 3.590 6.446 ( -3.418 0.865 1.642) 3.889 6.717 ( -0.912 1.526 -0.118) 1.782 6.788 ( 3.097 3.033 -0.707) 4.393 7.413 ( -1.209 4.270 1.458) 4.671 7.551 ( 0.063 5.247 0.537) 5.275 ======================= Grid point 616 (286/477) ======================= q-point: ( 0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.684 -17.780 7.370) 19.259 1.975 ( -2.807 -11.229 5.919) 13.000 2.279 ( 3.916 -16.601 -2.520) 17.242 2.757 ( -0.432 -15.008 0.084) 15.014 3.486 ( -2.792 -13.779 1.505) 14.140 4.089 ( 3.333 -4.724 -6.000) 8.332 4.702 ( 5.237 1.577 -3.433) 6.457 5.110 ( 0.693 4.903 -1.925) 5.313 5.178 ( -0.717 -1.576 1.453) 2.261 5.563 ( -1.431 -2.633 4.333) 5.269 5.860 ( 1.615 4.601 -0.114) 4.878 6.046 ( 0.177 -4.035 0.044) 4.039 6.227 ( -0.130 1.131 -0.901) 1.452 6.426 ( -2.198 0.187 1.270) 2.545 6.672 ( -1.733 2.693 1.718) 3.634 6.757 ( 2.847 1.719 -0.314) 3.340 7.324 ( -0.486 4.524 0.899) 4.638 7.454 ( 0.044 4.596 -0.148) 4.599 ======================= Grid point 617 (287/477) ======================= q-point: ( 0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.634 -19.495 6.276) 20.490 2.238 ( -1.345 -14.365 5.659) 15.498 2.591 ( 2.262 -12.419 -0.162) 12.625 2.991 ( 1.966 -8.105 -2.433) 8.688 3.675 ( -4.519 -7.932 5.309) 10.560 4.228 ( 0.582 -7.672 0.644) 7.721 4.719 ( 7.144 -0.942 -5.888) 9.305 5.056 ( 0.748 2.013 -1.163) 2.442 5.158 ( 0.398 1.211 -0.792) 1.500 5.634 ( 1.434 -0.816 0.119) 1.654 5.818 ( 0.201 -2.437 1.582) 2.913 6.137 ( -0.274 -3.915 1.097) 4.075 6.242 ( 0.415 -3.515 -0.644) 3.598 6.420 ( -0.936 -0.309 0.352) 1.047 6.602 ( -2.243 4.136 3.005) 5.582 6.741 ( 2.411 1.699 -0.086) 2.951 7.248 ( 0.086 3.162 0.470) 3.198 7.374 ( 0.218 3.482 -0.688) 3.556 ======================= Grid point 618 (288/477) ======================= q-point: ( 0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 0.343 -16.512 6.096) 17.605 2.523 ( -1.041 -12.358 3.689) 12.939 2.745 ( -0.263 -3.642 0.746) 3.727 3.058 ( 2.596 1.880 -3.011) 4.397 3.851 ( -3.087 -11.291 6.840) 13.558 4.309 ( -2.158 0.862 3.629) 4.309 4.773 ( 6.942 -2.417 -6.619) 9.891 4.971 ( 0.063 5.330 -2.066) 5.717 5.228 ( 3.340 -6.905 -3.293) 8.347 5.580 ( 2.284 4.529 -4.068) 6.503 5.970 ( -1.664 -9.464 4.811) 10.746 6.178 ( -0.960 -0.170 2.144) 2.356 6.336 ( 0.581 -3.945 -0.929) 4.094 6.451 ( -0.013 -3.777 -0.856) 3.873 6.512 ( -1.673 4.166 3.392) 5.627 6.710 ( 1.756 2.663 -0.360) 3.210 7.211 ( 0.292 0.827 0.163) 0.892 7.318 ( 0.771 2.100 -1.446) 2.664 ======================= Grid point 619 (289/477) ======================= q-point: (-0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -3.557 1.297 4.957) 6.238 2.609 ( -3.087 -3.060 5.209) 6.784 2.894 ( 1.859 -6.201 -3.771) 7.492 2.948 ( 2.421 4.274 -2.379) 5.458 4.098 ( -1.044 -11.003 5.746) 12.457 4.208 ( -4.057 6.989 3.443) 8.784 4.821 ( 4.652 1.661 -6.060) 7.818 4.891 ( 1.212 -0.822 -4.491) 4.723 5.365 ( 3.219 -4.046 -5.439) 7.504 5.501 ( 1.901 2.018 -3.602) 4.545 6.125 ( -2.023 -1.066 4.186) 4.769 6.140 ( -2.009 0.363 2.676) 3.366 6.374 ( -0.762 -0.430 1.316) 1.580 6.438 ( 0.336 0.901 0.165) 0.976 6.579 ( 0.544 -6.475 -1.208) 6.609 6.655 ( 0.533 3.393 -1.031) 3.586 7.219 ( 0.086 -1.491 -0.169) 1.503 7.293 ( 1.251 0.547 -2.249) 2.631 ======================= Grid point 620 (290/477) ======================= q-point: (-0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -7.954 12.857 6.679) 16.528 2.580 ( -1.514 11.364 -1.171) 11.524 2.759 ( 1.438 4.894 -2.004) 5.480 3.098 ( 2.098 -5.473 -5.149) 7.802 4.021 ( -2.294 8.188 1.727) 8.677 4.278 ( -2.417 -3.294 3.432) 5.335 4.739 ( 1.907 4.282 -6.808) 8.266 4.981 ( 0.988 -6.829 -1.497) 7.060 5.318 ( 1.951 4.865 -8.140) 9.681 5.558 ( 2.481 -5.010 -3.683) 6.694 5.990 ( -2.960 8.475 3.372) 9.590 6.181 ( -0.543 -0.127 -0.187) 0.588 6.367 ( -1.502 1.279 1.887) 2.730 6.468 ( 2.299 -2.189 -0.388) 3.198 6.584 ( -1.703 2.466 -0.498) 3.038 6.689 ( -0.745 -5.029 -1.635) 5.341 7.258 ( -0.401 -2.374 -1.302) 2.738 7.301 ( 1.419 -1.576 -1.646) 2.685 ======================= Grid point 621 (291/477) ======================= q-point: (-0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -7.741 17.344 3.856) 19.381 2.286 ( -4.263 14.741 2.623) 15.568 2.605 ( 1.733 11.968 -6.020) 13.508 3.086 ( 1.290 5.879 -6.484) 8.847 3.881 ( -2.394 6.079 1.117) 6.629 4.204 ( 0.221 9.347 -2.375) 9.646 4.660 ( 1.004 2.242 -5.217) 5.766 5.113 ( -1.432 -4.944 -0.523) 5.174 5.243 ( 1.797 -0.384 -6.049) 6.322 5.644 ( 0.943 -3.261 -4.278) 5.461 5.835 ( -2.523 4.922 1.842) 5.830 6.160 ( 0.082 1.793 -1.324) 2.230 6.301 ( -0.777 4.167 -1.809) 4.609 6.501 ( 2.541 0.218 -0.644) 2.631 6.576 ( -3.702 -2.753 2.861) 5.428 6.759 ( -1.345 -3.387 -2.095) 4.204 7.296 ( -0.511 -2.702 -1.869) 3.326 7.357 ( 0.894 -3.346 -0.160) 3.467 ======================= Grid point 622 (292/477) ======================= q-point: (-0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -6.929 19.894 2.177) 21.178 2.006 ( -7.378 12.558 9.499) 17.388 2.305 ( 3.937 15.986 -11.226) 19.926 2.863 ( -0.553 14.445 -4.014) 15.003 3.665 ( -3.850 16.308 -0.280) 16.758 4.031 ( 6.925 5.567 -8.824) 12.522 4.642 ( 0.308 -1.290 -1.921) 2.335 5.155 ( -0.260 -3.142 -2.347) 3.930 5.272 ( -0.955 0.048 -2.998) 3.147 5.647 ( -2.746 0.062 -0.568) 2.805 5.832 ( -0.813 -3.699 0.002) 3.787 6.074 ( -0.288 5.870 -2.079) 6.234 6.254 ( 0.238 -0.413 -1.655) 1.722 6.512 ( 0.733 -0.801 -0.150) 1.096 6.627 ( -1.852 -2.888 2.590) 4.299 6.794 ( -1.427 -1.893 -2.856) 3.712 7.353 ( -0.727 -3.854 -0.610) 3.969 7.432 ( 0.510 -3.898 0.716) 3.996 ======================= Grid point 623 (293/477) ======================= q-point: (-0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -6.314 17.547 6.202) 19.653 1.762 ( -8.902 12.286 15.038) 21.362 2.031 ( 7.983 9.484 -15.185) 19.602 2.534 ( -3.944 16.876 2.545) 17.516 3.272 ( 0.036 19.770 -4.667) 20.313 3.983 ( 9.284 2.012 -11.762) 15.119 4.694 ( -0.226 -3.695 1.618) 4.040 5.176 ( -1.167 7.218 -4.476) 8.573 5.264 ( -0.618 -8.401 0.995) 8.482 5.611 ( -3.911 2.760 0.677) 4.834 5.913 ( -1.368 -4.513 1.408) 4.922 5.988 ( 1.397 1.749 -0.832) 2.388 6.279 ( 0.080 -2.290 -0.594) 2.367 6.539 ( -1.188 -2.066 -0.259) 2.398 6.686 ( 0.727 -3.034 0.954) 3.263 6.802 ( -1.252 -0.798 -2.982) 3.331 7.426 ( -0.875 -3.714 1.032) 3.952 7.522 ( 0.220 -4.701 1.754) 5.022 ======================= Grid point 624 (294/477) ======================= q-point: (-0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -4.829 7.611 12.902) 15.739 1.526 ( -7.116 11.769 16.117) 21.187 1.947 ( 9.725 0.345 -13.443) 16.596 2.212 ( -8.399 13.889 11.313) 19.784 2.910 ( 4.778 16.153 -9.132) 19.161 3.965 ( 9.838 1.315 -13.447) 16.713 4.776 ( -0.695 -3.485 4.314) 5.589 4.970 ( -1.986 10.954 -2.548) 11.421 5.426 ( -3.690 -3.240 5.123) 7.097 5.533 ( -0.051 -0.434 1.148) 1.228 5.983 ( 0.953 -1.964 -0.882) 2.354 6.014 ( -0.150 -4.103 0.505) 4.136 6.358 ( 0.185 -6.025 0.578) 6.055 6.574 ( -2.763 -2.606 -0.219) 3.804 6.751 ( 2.167 -2.076 -0.427) 3.031 6.803 ( 0.062 -0.981 -2.284) 2.486 7.484 ( -0.675 -2.013 2.032) 2.939 7.623 ( -0.623 -4.713 3.353) 5.818 ======================= Grid point 627 (295/477) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -2.105 0.000 11.037) 11.236 1.270 ( -7.057 0.000 13.947) 15.631 1.945 ( -12.158 0.000 22.179) 25.293 2.068 ( 7.680 -0.000 -14.825) 16.696 2.536 ( 7.409 -0.000 -13.828) 15.688 3.977 ( 9.508 -0.000 -15.082) 17.829 4.653 ( -1.528 0.000 3.825) 4.119 4.897 ( -1.868 0.000 4.982) 5.321 5.293 ( -1.905 0.000 2.980) 3.536 5.697 ( -4.141 0.000 7.807) 8.837 5.988 ( -0.890 0.000 -3.996) 4.093 6.189 ( 4.076 -0.000 -4.086) 5.771 6.512 ( -5.416 0.000 2.001) 5.774 6.625 ( 0.670 -0.000 -0.727) 0.989 6.812 ( -0.018 0.000 1.297) 1.297 6.884 ( 4.081 -0.000 -2.683) 4.884 7.508 ( -0.950 0.000 0.917) 1.320 7.741 ( -2.858 0.000 4.802) 5.588 ======================= Grid point 628 (296/477) ======================= q-point: ( 0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -1.879 1.646 9.499) 9.822 1.380 ( -7.115 -9.720 13.638) 18.196 1.983 ( -11.695 -1.368 18.442) 21.880 2.014 ( 7.005 1.065 -15.747) 17.267 2.637 ( 5.943 -9.807 -12.953) 17.300 3.987 ( 8.972 -0.638 -15.389) 17.825 4.734 ( -1.405 -7.352 2.796) 7.990 4.880 ( -1.383 2.155 4.541) 5.213 5.343 ( -2.607 -4.595 3.412) 6.290 5.657 ( -2.805 4.362 6.012) 7.940 5.961 ( -0.931 0.589 -3.752) 3.910 6.148 ( 3.159 4.845 -2.176) 6.180 6.468 ( -3.827 2.437 2.512) 5.186 6.559 ( -0.474 5.558 -1.295) 5.727 6.787 ( -0.196 2.277 0.162) 2.292 6.890 ( 3.520 1.067 -2.252) 4.313 7.506 ( -1.595 0.157 1.153) 1.975 7.715 ( -1.850 2.464 3.359) 4.558 ======================= Grid point 629 (297/477) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -2.143 -4.231 9.227) 10.374 1.615 ( -6.569 -12.659 15.217) 20.855 1.892 ( 4.146 2.319 -15.839) 16.536 2.157 ( -6.335 -11.780 10.429) 16.961 2.869 ( 3.620 -14.433 -9.224) 17.507 4.005 ( 7.455 -1.210 -14.521) 16.368 4.822 ( -0.373 2.828 1.917) 3.437 4.917 ( -0.434 -8.846 2.722) 9.265 5.405 ( -3.446 1.012 6.156) 7.127 5.546 ( -0.041 4.841 -0.106) 4.842 5.949 ( -0.805 -1.180 -2.967) 3.293 6.053 ( 1.092 5.309 1.717) 5.686 6.379 ( 0.197 6.158 0.427) 6.176 6.458 ( -3.461 2.357 0.776) 4.258 6.743 ( -0.147 1.784 -0.357) 1.826 6.863 ( 3.020 2.847 -1.352) 4.365 7.477 ( -1.855 2.383 1.716) 3.473 7.649 ( -0.575 4.335 1.217) 4.539 ======================= Grid point 630 (298/477) ======================= q-point: ( 0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -1.352 -12.967 9.621) 16.203 1.809 ( -4.565 -6.097 8.096) 11.115 1.983 ( 4.805 -14.142 -7.173) 16.569 2.438 ( -3.165 -16.464 5.441) 17.627 3.170 ( 1.047 -16.729 -3.231) 17.070 4.026 ( 4.843 -1.850 -11.242) 12.380 4.766 ( 2.536 3.060 -0.697) 4.035 5.088 ( 0.108 -7.109 1.808) 7.336 5.260 ( -0.617 9.587 1.092) 9.668 5.541 ( -1.127 -1.164 4.550) 4.830 5.956 ( 0.542 2.679 0.302) 2.749 5.989 ( -0.200 -0.594 -0.090) 0.634 6.274 ( 0.152 4.106 -0.513) 4.141 6.422 ( -2.581 0.355 1.384) 2.950 6.710 ( -0.657 1.707 0.842) 2.013 6.818 ( 2.911 2.858 -0.520) 4.112 7.409 ( -1.314 3.995 1.704) 4.538 7.553 ( -0.079 5.308 0.087) 5.309 ======================= Grid point 631 (299/477) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.580 -17.772 8.590) 19.747 1.986 ( -1.857 -12.064 5.761) 13.497 2.313 ( 3.414 -16.782 -0.311) 17.129 2.761 ( 0.498 -15.283 0.934) 15.320 3.473 ( -1.701 -13.213 2.669) 13.586 4.085 ( 2.395 -5.800 -5.081) 8.074 4.741 ( 5.455 0.987 -3.785) 6.712 5.106 ( 1.175 4.460 -2.345) 5.174 5.189 ( -0.377 -0.643 3.701) 3.775 5.583 ( -0.653 -2.805 5.477) 6.188 5.877 ( 1.921 4.939 -0.949) 5.384 6.049 ( -0.152 -4.599 0.769) 4.665 6.221 ( -0.111 1.021 -0.364) 1.090 6.414 ( -1.128 -0.106 0.606) 1.285 6.666 ( -1.772 2.799 2.709) 4.279 6.789 ( 2.888 1.839 -0.063) 3.424 7.326 ( -0.435 4.296 1.331) 4.519 7.452 ( -0.088 4.684 -0.247) 4.692 ======================= Grid point 632 (300/477) ======================= q-point: ( 0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.577 -18.962 7.240) 20.358 2.263 ( -1.105 -14.384 6.304) 15.743 2.616 ( 1.552 -11.192 0.799) 11.327 3.005 ( 2.772 -8.071 -1.697) 8.700 3.669 ( -2.783 -8.340 5.816) 10.542 4.239 ( -0.033 -7.683 1.915) 7.918 4.761 ( 6.877 -0.826 -5.853) 9.069 5.059 ( 0.866 2.352 -0.647) 2.589 5.164 ( 0.998 1.055 0.121) 1.457 5.653 ( 1.744 0.412 -0.107) 1.795 5.832 ( 0.472 -2.816 1.619) 3.283 6.142 ( -0.600 -3.617 1.769) 4.071 6.245 ( 0.630 -3.785 -0.084) 3.838 6.416 ( 0.218 -0.521 -0.313) 0.646 6.598 ( -2.347 4.060 3.994) 6.159 6.768 ( 2.325 2.101 0.089) 3.135 7.254 ( 0.287 3.153 0.876) 3.285 7.372 ( 0.096 3.411 -0.598) 3.465 ======================= Grid point 634 (301/477) ======================= q-point: ( 0.57 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 0.733 -15.439 6.301) 16.691 2.535 ( -1.349 -10.283 4.387) 11.261 2.746 ( -0.728 -3.656 1.235) 3.927 3.071 ( 3.003 2.479 -2.835) 4.817 3.869 ( -1.449 -11.826 6.663) 13.651 4.308 ( -2.619 1.912 4.441) 5.499 4.808 ( 6.246 -2.109 -6.079) 8.967 4.957 ( 0.119 6.286 -2.455) 6.749 5.252 ( 3.972 -6.981 -2.422) 8.389 5.578 ( 2.145 5.209 -4.502) 7.211 5.983 ( -1.514 -8.824 4.804) 10.161 6.181 ( -1.124 -0.151 2.539) 2.780 6.338 ( 0.984 -3.831 -1.157) 4.121 6.446 ( -0.181 -2.158 -0.610) 2.250 6.520 ( -0.970 2.758 3.838) 4.825 6.727 ( 1.491 3.298 -0.313) 3.633 7.217 ( 0.548 1.073 0.420) 1.276 7.317 ( 0.623 2.038 -1.407) 2.554 ======================= Grid point 635 (302/477) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -4.776 6.355 6.012) 9.967 2.613 ( -1.654 -5.477 4.094) 7.035 2.891 ( 1.651 -2.213 -3.211) 4.235 2.958 ( 2.348 1.660 -2.955) 4.123 4.124 ( -1.273 -11.489 5.663) 12.872 4.185 ( -3.617 8.798 3.534) 10.147 4.825 ( 2.933 5.277 -6.501) 8.872 4.884 ( 2.565 -3.525 -3.940) 5.876 5.370 ( 3.776 -0.898 -5.602) 6.815 5.497 ( 1.443 0.404 -3.480) 3.789 6.129 ( -1.893 -2.836 3.984) 5.244 6.134 ( -2.092 3.264 2.891) 4.836 6.375 ( -0.627 -0.045 1.499) 1.625 6.441 ( 0.200 -0.587 -0.131) 0.633 6.578 ( 0.565 -5.255 -1.026) 5.384 6.654 ( 0.521 4.426 -1.130) 4.597 7.220 ( 0.232 -0.938 -0.131) 0.975 7.291 ( 1.101 0.433 -2.278) 2.567 ======================= Grid point 636 (303/477) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -7.191 13.888 6.664) 17.000 2.554 ( -1.476 12.667 -1.579) 12.850 2.759 ( 1.116 5.151 -2.498) 5.833 3.088 ( 1.939 -4.308 -5.118) 6.965 3.996 ( -4.452 7.966 2.617) 9.493 4.278 ( -0.883 -2.038 2.442) 3.301 4.718 ( 2.288 4.539 -7.157) 8.779 4.983 ( 0.942 -6.235 -1.179) 6.415 5.288 ( 2.034 5.106 -8.257) 9.919 5.562 ( 2.277 -4.291 -3.525) 6.001 5.978 ( -3.021 9.068 3.439) 10.158 6.174 ( -0.368 -0.140 -0.184) 0.435 6.362 ( -1.268 1.977 1.309) 2.689 6.490 ( 1.689 -3.214 0.065) 3.631 6.559 ( -1.987 3.494 -0.778) 4.094 6.672 ( -0.392 -4.204 -1.529) 4.491 7.245 ( -0.405 -1.685 -1.412) 2.236 7.306 ( 1.332 -2.023 -1.617) 2.912 ======================= Grid point 637 (304/477) ======================= q-point: (-0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -6.742 18.176 3.430) 19.687 2.256 ( -3.992 14.449 2.715) 15.234 2.585 ( 1.683 12.840 -6.165) 14.342 3.057 ( 0.952 6.461 -6.287) 9.065 3.849 ( -4.686 6.415 1.721) 8.128 4.197 ( 1.704 8.820 -3.097) 9.502 4.643 ( 1.947 1.960 -5.307) 5.983 5.093 ( -1.074 -3.632 -1.180) 3.967 5.224 ( 1.257 -1.193 -5.500) 5.766 5.628 ( 0.725 -1.854 -3.511) 4.036 5.820 ( -2.267 4.462 1.860) 5.340 6.152 ( 0.078 2.353 -1.566) 2.827 6.281 ( -0.500 4.177 -2.198) 4.747 6.507 ( -1.725 0.477 0.660) 1.908 6.570 ( 0.114 -3.370 2.142) 3.995 6.731 ( -1.241 -2.898 -1.893) 3.678 7.278 ( -0.602 -2.824 -1.574) 3.289 7.366 ( 0.906 -3.427 -0.487) 3.578 ======================= Grid point 638 (305/477) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -5.978 19.351 2.908) 20.461 1.987 ( -6.380 11.955 9.048) 16.294 2.279 ( 3.987 15.753 -10.785) 19.503 2.829 ( -1.166 14.342 -3.483) 14.804 3.614 ( -4.294 15.996 -0.751) 16.579 4.054 ( 6.770 4.641 -8.517) 11.828 4.639 ( 1.298 -1.807 -1.985) 2.982 5.137 ( -0.450 -4.016 -1.831) 4.437 5.241 ( -0.875 1.055 -3.320) 3.592 5.611 ( -3.129 0.626 -0.067) 3.192 5.827 ( -0.227 -3.673 0.347) 3.696 6.059 ( -0.051 5.077 -1.904) 5.423 6.247 ( 0.359 -0.829 -1.625) 1.859 6.503 ( -2.574 -0.793 1.021) 2.880 6.638 ( 1.054 -2.809 1.873) 3.537 6.761 ( -1.292 -1.705 -2.524) 3.309 7.341 ( -0.749 -4.224 -0.389) 4.307 7.442 ( 0.499 -4.065 0.441) 4.119 ======================= Grid point 639 (306/477) ======================= q-point: (-0.07 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -5.179 15.415 7.517) 17.915 1.766 ( -7.642 11.276 15.476) 20.617 2.019 ( 7.492 8.164 -15.826) 19.319 2.502 ( -4.590 16.532 3.000) 17.418 3.241 ( -0.007 18.351 -4.995) 19.018 4.011 ( 8.824 1.971 -11.823) 14.884 4.705 ( 0.369 -4.148 1.453) 4.410 5.134 ( -1.697 7.413 -3.290) 8.286 5.263 ( -0.613 -9.053 0.933) 9.121 5.574 ( -3.458 1.902 0.853) 4.038 5.911 ( -0.654 -4.502 1.881) 4.923 5.997 ( 1.219 1.072 -1.072) 1.946 6.277 ( 0.140 -2.537 -0.452) 2.580 6.513 ( -3.421 -1.694 0.765) 3.893 6.710 ( 2.104 -3.126 0.670) 3.827 6.772 ( -0.693 -1.093 -2.787) 3.073 7.422 ( -0.971 -4.125 1.098) 4.378 7.535 ( 0.191 -4.910 1.411) 5.112 ======================= Grid point 643 (307/477) ======================= q-point: ( 0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -1.958 0.000 7.730) 7.974 1.271 ( -7.865 0.000 12.596) 14.850 1.949 ( -12.001 0.000 22.063) 25.116 2.041 ( 5.786 -0.000 -17.422) 18.358 2.523 ( 6.607 -0.000 -15.123) 16.503 3.981 ( 8.690 -0.000 -16.118) 18.312 4.660 ( -1.406 0.000 3.607) 3.871 4.908 ( -1.738 0.000 4.795) 5.101 5.285 ( -2.383 0.000 2.383) 3.370 5.703 ( -3.569 0.000 7.643) 8.435 5.950 ( -1.263 0.000 -3.802) 4.006 6.210 ( 4.204 -0.000 -3.965) 5.779 6.470 ( -4.633 0.000 2.615) 5.320 6.620 ( -0.006 0.000 -1.877) 1.877 6.815 ( -0.409 0.000 0.303) 0.509 6.908 ( 3.153 -0.000 -2.617) 4.098 7.496 ( -1.855 0.000 0.524) 1.927 7.738 ( -2.376 0.000 3.517) 4.244 ======================= Grid point 644 (308/477) ======================= q-point: ( 0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -2.171 1.454 6.481) 6.988 1.378 ( -7.855 -10.540 12.257) 17.973 1.949 ( -0.746 4.807 -7.283) 8.758 2.000 ( -4.864 -4.454 8.342) 10.634 2.616 ( 5.447 -9.880 -13.674) 17.727 3.982 ( 7.857 -0.539 -16.197) 18.010 4.738 ( -1.191 -6.943 2.947) 7.636 4.895 ( -1.224 1.733 4.459) 4.938 5.334 ( -2.810 -4.892 3.287) 6.529 5.663 ( -2.349 4.643 5.018) 7.229 5.926 ( -1.067 0.311 -3.709) 3.872 6.170 ( 2.952 4.802 -1.752) 5.903 6.442 ( -3.541 1.234 2.634) 4.582 6.544 ( -0.291 6.168 -2.153) 6.540 6.784 ( -0.302 2.298 -0.201) 2.327 6.911 ( 2.634 0.878 -2.211) 3.549 7.491 ( -2.206 -0.055 0.952) 2.403 7.713 ( -1.692 2.267 2.057) 3.498 ======================= Grid point 645 (309/477) ======================= q-point: ( 0.36 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -2.288 -5.126 7.783) 9.596 1.631 ( -7.095 -14.197 14.011) 21.171 1.835 ( 3.815 1.539 -15.869) 16.393 2.159 ( -5.368 -11.517 10.753) 16.646 2.852 ( 3.632 -14.942 -9.019) 17.826 3.988 ( 6.165 -1.074 -14.837) 16.102 4.830 ( -0.096 1.624 1.522) 2.228 4.935 ( -0.229 -8.111 3.646) 8.895 5.408 ( -3.094 0.801 6.534) 7.274 5.544 ( 0.396 4.338 -0.949) 4.458 5.918 ( -1.110 -1.504 -3.150) 3.663 6.077 ( 0.830 5.288 2.217) 5.794 6.381 ( 0.074 5.815 -0.066) 5.815 6.427 ( -2.535 2.140 0.321) 3.333 6.743 ( 0.104 1.695 0.371) 1.739 6.886 ( 2.421 2.460 -1.315) 3.693 7.466 ( -2.078 1.978 1.736) 3.353 7.646 ( -0.764 4.159 0.348) 4.242 ======================= Grid point 646 (310/477) ======================= q-point: ( 0.43 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -0.953 -13.992 9.777) 17.096 1.806 ( -2.641 -6.380 4.362) 8.168 1.997 ( 2.962 -16.766 -2.480) 17.205 2.445 ( -2.021 -16.586 5.740) 17.667 3.168 ( 1.642 -17.232 -2.243) 17.455 4.003 ( 3.825 -2.256 -11.118) 11.972 4.789 ( 2.269 2.305 -0.977) 3.379 5.107 ( 0.743 -6.794 2.516) 7.283 5.261 ( -0.350 9.165 0.967) 9.223 5.565 ( -0.453 -1.650 5.906) 6.149 5.948 ( -0.455 -2.076 -2.117) 2.999 5.997 ( 0.378 3.157 1.886) 3.697 6.273 ( 0.270 4.359 -0.465) 4.392 6.404 ( -1.633 -0.113 0.643) 1.759 6.713 ( -0.515 1.971 2.137) 2.953 6.846 ( 2.718 2.446 -0.535) 3.696 7.405 ( -1.382 3.584 1.965) 4.315 7.550 ( -0.286 5.203 -0.312) 5.220 ======================= Grid point 648 (311/477) ======================= q-point: ( 0.50 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 1.028 -18.053 9.161) 20.270 2.006 ( -1.350 -12.880 6.232) 14.372 2.349 ( 2.629 -16.836 0.561) 17.049 2.779 ( 1.465 -15.547 1.230) 15.664 3.481 ( -0.417 -12.867 3.579) 13.362 4.079 ( 1.797 -7.275 -4.456) 8.718 4.774 ( 4.569 0.325 -3.831) 5.971 5.109 ( 1.854 4.040 -2.243) 4.979 5.214 ( -0.224 0.223 4.906) 4.916 5.615 ( -0.072 -2.692 5.857) 6.446 5.890 ( 2.130 5.155 -1.993) 5.923 6.052 ( -0.489 -5.318 1.343) 5.507 6.221 ( 0.219 0.842 0.233) 0.900 6.407 ( -0.308 -0.512 -0.163) 0.619 6.668 ( -1.711 3.078 3.930) 5.277 6.821 ( 2.795 1.886 -0.056) 3.372 7.331 ( -0.441 3.955 1.678) 4.319 7.449 ( -0.173 4.668 -0.323) 4.682 ======================= Grid point 649 (312/477) ======================= q-point: (-0.43 -0.79 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 1.649 -18.344 7.629) 19.936 2.292 ( -1.165 -14.250 6.681) 15.781 2.634 ( 0.562 -9.857 1.007) 9.924 3.031 ( 3.417 -7.894 -1.356) 8.708 3.686 ( -0.918 -8.700 5.771) 10.480 4.251 ( -0.545 -7.752 2.776) 8.252 4.796 ( 5.531 -0.871 -5.676) 7.973 5.068 ( 0.975 3.227 0.102) 3.372 5.181 ( 1.748 0.566 0.281) 1.859 5.671 ( 2.168 2.182 -1.095) 3.265 5.848 ( 0.413 -3.553 1.845) 4.025 6.146 ( -0.732 -3.383 1.982) 3.989 6.255 ( 0.882 -3.814 0.395) 3.935 6.419 ( 0.837 -0.777 -0.832) 1.413 6.601 ( -2.193 4.003 4.993) 6.765 6.794 ( 2.076 2.562 0.076) 3.298 7.265 ( 0.414 3.061 1.121) 3.286 7.369 ( 0.046 3.349 -0.540) 3.393 ======================= Grid point 650 (313/477) ======================= q-point: (-0.36 -0.79 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.385 -14.233 6.453) 15.632 2.548 ( -1.387 -8.025 4.645) 9.375 2.744 ( -1.090 -4.314 1.400) 4.664 3.088 ( 3.098 3.490 -2.968) 5.530 3.901 ( -0.226 -11.849 6.030) 13.297 4.307 ( -2.834 2.961 5.034) 6.492 4.832 ( 4.383 -1.994 -5.394) 7.231 4.946 ( 1.061 7.256 -2.897) 7.884 5.285 ( 4.334 -7.003 -1.926) 8.458 5.571 ( 2.115 6.089 -5.068) 8.200 5.996 ( -1.532 -8.137 4.612) 9.478 6.185 ( -1.061 -0.147 2.656) 2.864 6.343 ( 1.260 -3.725 -1.249) 4.126 6.439 ( -0.737 -0.442 0.007) 0.860 6.538 ( -0.143 1.635 3.720) 4.065 6.739 ( 1.142 3.944 -0.395) 4.125 7.228 ( 0.764 1.329 0.539) 1.625 7.315 ( 0.502 2.055 -1.407) 2.541 ======================= Grid point 651 (314/477) ======================= q-point: (-0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -4.573 8.714 6.581) 11.839 2.622 ( -1.201 -5.243 3.672) 6.513 2.890 ( 1.418 0.926 -2.781) 3.256 2.962 ( 1.992 -0.119 -3.566) 4.086 4.126 ( -4.817 -2.440 5.705) 7.855 4.186 ( -0.050 1.592 3.460) 3.809 4.809 ( 1.935 5.637 -6.515) 8.830 4.895 ( 3.463 -3.316 -3.788) 6.111 5.378 ( 3.976 2.883 -5.859) 7.645 5.491 ( 1.253 -1.737 -3.240) 3.884 6.127 ( -1.767 -0.944 2.321) 3.067 6.135 ( -2.087 2.431 4.560) 5.573 6.379 ( -0.548 0.389 1.532) 1.673 6.440 ( -0.150 -2.079 -0.270) 2.102 6.579 ( 0.682 -3.008 -0.969) 3.233 6.652 ( 0.547 4.665 -1.152) 4.836 7.222 ( 0.304 -0.185 -0.148) 0.385 7.289 ( 1.036 0.218 -2.240) 2.477 ======================= Grid point 652 (315/477) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -5.783 15.060 6.486) 17.387 2.529 ( -1.225 13.731 -1.146) 13.833 2.754 ( 0.844 5.426 -2.576) 6.066 3.077 ( 1.707 -3.242 -4.893) 6.112 3.956 ( -6.025 8.017 3.769) 10.714 4.287 ( 0.049 -0.782 1.748) 1.916 4.702 ( 3.167 4.419 -7.296) 9.098 4.986 ( 0.872 -5.515 -1.091) 5.689 5.260 ( 2.086 5.539 -7.771) 9.768 5.565 ( 2.278 -3.835 -3.480) 5.658 5.966 ( -2.932 9.592 3.627) 10.666 6.170 ( -0.198 -0.067 0.024) 0.210 6.355 ( -0.970 2.824 0.619) 3.050 6.503 ( -0.035 -3.398 0.782) 3.487 6.533 ( -1.358 3.126 -0.953) 3.539 6.663 ( 0.324 -3.048 -1.325) 3.339 7.232 ( -0.385 -1.136 -1.288) 1.760 7.311 ( 1.255 -2.291 -1.607) 3.067 ======================= Grid point 653 (316/477) ======================= q-point: (-0.14 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -5.088 18.996 3.395) 19.957 2.232 ( -3.425 14.182 3.228) 14.942 2.567 ( 1.876 13.430 -5.361) 14.582 3.029 ( 0.778 7.121 -5.601) 9.093 3.801 ( -6.077 6.857 2.470) 9.489 4.201 ( 2.280 8.279 -2.986) 9.091 4.638 ( 3.340 1.645 -5.437) 6.590 5.075 ( -0.518 -2.659 -1.507) 3.100 5.202 ( 0.691 -1.558 -4.610) 4.915 5.617 ( 0.726 -0.414 -2.535) 2.670 5.809 ( -1.740 3.807 1.862) 4.581 6.143 ( 0.097 3.126 -1.434) 3.441 6.263 ( -0.146 3.825 -2.110) 4.370 6.482 ( -3.416 0.100 1.616) 3.780 6.592 ( 1.078 -3.513 1.679) 4.040 6.709 ( -0.548 -2.236 -1.563) 2.783 7.263 ( -0.546 -2.925 -1.142) 3.187 7.371 ( 0.789 -3.510 -0.689) 3.663 ======================= Grid point 654 (317/477) ======================= q-point: (-0.07 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -4.399 18.704 4.174) 19.662 1.977 ( -5.214 11.226 8.179) 14.836 2.261 ( 4.076 15.896 -8.894) 18.666 2.795 ( -1.374 14.460 -2.454) 14.731 3.562 ( -4.171 15.311 -0.508) 15.877 4.074 ( 5.883 4.189 -7.910) 10.711 4.647 ( 2.630 -2.061 -2.321) 4.068 5.123 ( -0.224 -4.567 -1.345) 4.766 5.211 ( -0.915 1.710 -2.749) 3.365 5.579 ( -2.938 1.395 1.089) 3.430 5.831 ( 0.485 -3.867 0.484) 3.927 6.049 ( 0.191 4.297 -1.385) 4.519 6.241 ( 0.318 -1.069 -1.513) 1.879 6.475 ( -3.508 -0.645 1.616) 3.915 6.665 ( 1.266 -2.905 1.730) 3.610 6.735 ( -0.432 -1.442 -2.118) 2.598 7.332 ( -0.685 -4.483 -0.022) 4.535 7.449 ( 0.377 -4.255 0.189) 4.275 ======================= Grid point 659 (318/477) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -2.977 0.000 4.435) 5.342 1.253 ( -8.822 0.000 11.642) 14.607 1.956 ( -9.360 0.000 17.805) 20.115 1.981 ( 2.519 -0.000 -15.312) 15.518 2.494 ( 6.111 -0.000 -16.416) 17.517 3.968 ( 7.685 -0.000 -17.015) 18.670 4.667 ( -1.365 0.000 3.445) 3.705 4.919 ( -1.816 0.000 4.911) 5.236 5.270 ( -2.754 0.000 1.846) 3.315 5.712 ( -2.969 0.000 6.869) 7.483 5.913 ( -1.102 0.000 -3.630) 3.794 6.232 ( 3.943 -0.000 -3.671) 5.387 6.441 ( -3.426 0.000 2.845) 4.453 6.602 ( -0.550 0.000 -2.772) 2.826 6.806 ( -0.822 0.000 -0.665) 1.058 6.921 ( 2.091 -0.000 -2.608) 3.342 7.474 ( -2.421 0.000 0.452) 2.463 7.730 ( -2.235 0.000 2.017) 3.011 ======================= Grid point 660 (319/477) ======================= q-point: ( 0.36 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -3.447 0.724 3.848) 5.217 1.359 ( -8.604 -11.407 11.252) 18.187 1.883 ( 2.614 5.056 -16.190) 17.161 2.006 ( -7.922 -4.907 16.136) 18.634 2.587 ( 5.220 -10.407 -14.320) 18.456 3.959 ( 6.938 -0.437 -16.826) 18.206 4.745 ( -0.981 -6.930 3.086) 7.649 4.907 ( -1.701 1.428 4.505) 5.023 5.322 ( -2.859 -5.717 3.211) 7.154 5.668 ( -1.729 5.243 3.490) 6.532 5.891 ( -0.861 0.184 -3.410) 3.522 6.191 ( 2.382 4.729 -1.096) 5.407 6.423 ( -2.540 0.965 2.212) 3.504 6.525 ( -0.362 5.895 -2.687) 6.489 6.778 ( -0.409 1.689 -0.421) 1.788 6.922 ( 1.708 0.538 -2.225) 2.856 7.470 ( -2.473 -0.395 0.991) 2.693 7.702 ( -1.841 2.092 0.817) 2.904 ======================= Grid point 662 (320/477) ======================= q-point: ( 0.43 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -3.019 -7.089 6.805) 10.280 1.633 ( -7.643 -15.895 12.877) 21.837 1.781 ( 4.434 -0.034 -15.403) 16.028 2.172 ( -4.524 -11.477 10.934) 16.485 2.837 ( 3.792 -15.971 -8.677) 18.567 3.957 ( 5.422 -1.010 -15.125) 16.099 4.839 ( -0.198 1.299 1.735) 2.177 4.955 ( -0.601 -8.542 3.830) 9.381 5.417 ( -2.680 1.222 6.294) 6.949 5.544 ( 0.870 2.479 -1.439) 2.995 5.885 ( -1.068 -1.398 -3.043) 3.515 6.099 ( 0.342 5.210 2.678) 5.868 6.379 ( -0.115 5.334 -0.523) 5.361 6.406 ( -1.178 1.981 -0.428) 2.344 6.750 ( 0.184 1.287 1.189) 1.762 6.901 ( 1.857 1.839 -1.352) 2.943 7.453 ( -2.121 1.466 1.872) 3.186 7.635 ( -1.097 3.855 -0.360) 4.024 ======================= Grid point 663 (321/477) ======================= q-point: (-0.50 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -1.216 -15.589 9.653) 18.376 1.808 ( -1.370 -7.798 3.459) 8.640 2.014 ( 1.694 -18.526 -0.708) 18.617 2.464 ( -1.009 -16.738 5.486) 17.643 3.179 ( 2.267 -18.201 -1.232) 18.383 3.973 ( 3.443 -2.850 -11.227) 12.084 4.803 ( 1.193 1.744 -0.815) 2.265 5.134 ( 1.190 -6.531 2.422) 7.066 5.264 ( -0.116 8.229 0.936) 8.283 5.603 ( -0.133 -2.045 6.668) 6.976 5.926 ( -0.785 -4.148 -2.261) 4.789 6.015 ( 0.646 4.225 1.558) 4.549 6.275 ( 0.467 4.236 -0.304) 4.272 6.392 ( -0.715 -0.408 -0.302) 0.877 6.725 ( -0.559 2.188 3.316) 4.012 6.872 ( 2.505 1.881 -0.655) 3.200 7.403 ( -1.398 3.135 2.224) 4.090 7.542 ( -0.526 4.899 -0.602) 4.964 ======================= Grid point 664 (322/477) ======================= q-point: (-0.43 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.626 -18.515 8.969) 20.582 2.033 ( -1.411 -13.374 6.930) 15.129 2.377 ( 1.734 -16.739 0.281) 16.831 2.808 ( 2.262 -15.824 0.987) 16.015 3.509 ( 0.908 -12.708 4.096) 13.383 4.069 ( 1.462 -8.914 -4.241) 9.979 4.793 ( 2.844 -0.231 -3.619) 4.608 5.120 ( 2.524 3.542 -2.105) 4.832 5.244 ( -0.239 0.944 5.321) 5.409 5.653 ( 0.212 -2.462 5.388) 5.927 5.899 ( 2.243 5.228 -2.952) 6.409 6.056 ( -0.475 -5.851 1.726) 6.119 6.229 ( 0.582 0.559 0.715) 1.078 6.404 ( 0.162 -0.944 -0.862) 1.288 6.677 ( -1.641 3.347 4.936) 6.185 6.850 ( 2.542 1.935 -0.223) 3.203 7.337 ( -0.471 3.576 1.905) 4.079 7.444 ( -0.223 4.526 -0.389) 4.548 ======================= Grid point 665 (323/477) ======================= q-point: (-0.36 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.851 -17.792 7.404) 19.290 2.320 ( -1.487 -14.086 6.770) 15.699 2.641 ( -0.207 -8.768 0.623) 8.792 3.062 ( 3.696 -7.523 -1.492) 8.513 3.720 ( 0.681 -8.838 5.151) 10.252 4.262 ( -0.961 -7.924 3.129) 8.573 4.812 ( 3.422 -1.052 -5.380) 6.463 5.083 ( 1.156 4.494 0.812) 4.711 5.205 ( 2.437 -0.287 -0.242) 2.466 5.687 ( 2.605 4.001 -2.596) 5.435 5.864 ( 0.030 -4.322 2.161) 4.833 6.151 ( -0.588 -3.239 1.830) 3.766 6.270 ( 1.106 -3.573 0.743) 3.813 6.422 ( 0.849 -0.976 -1.146) 1.728 6.612 ( -1.895 3.882 5.606) 7.077 6.815 ( 1.670 3.044 -0.125) 3.474 7.277 ( 0.480 2.891 1.182) 3.160 7.366 ( 0.039 3.315 -0.554) 3.361 ======================= Grid point 666 (324/477) ======================= q-point: (-0.29 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -0.812 -13.237 6.473) 14.757 2.563 ( -1.088 -6.093 4.473) 7.637 2.740 ( -1.151 -5.327 1.293) 5.601 3.102 ( 2.956 4.722 -3.352) 6.501 3.938 ( 0.395 -11.334 5.052) 12.415 4.308 ( -2.899 3.784 5.346) 7.163 4.835 ( 1.935 -1.404 -4.786) 5.350 4.947 ( 2.649 7.300 -3.287) 8.433 5.322 ( 4.206 -7.097 -1.866) 8.458 5.562 ( 2.263 7.137 -5.676) 9.395 6.007 ( -1.696 -7.562 4.308) 8.866 6.190 ( -0.893 -0.170 2.439) 2.603 6.351 ( 1.361 -3.531 -1.089) 3.938 6.430 ( -1.115 0.749 0.585) 1.465 6.562 ( 0.313 1.179 3.256) 3.477 6.747 ( 0.718 4.526 -0.599) 4.621 7.241 ( 0.903 1.567 0.521) 1.882 7.311 ( 0.426 2.116 -1.483) 2.619 ======================= Grid point 667 (325/477) ======================= q-point: (-0.21 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -3.572 9.815 6.567) 12.338 2.630 ( -1.590 -4.497 3.909) 6.166 2.888 ( 1.424 4.017 -2.544) 4.964 2.958 ( 1.525 -1.947 -3.989) 4.693 4.102 ( -5.413 4.281 5.774) 8.998 4.212 ( 0.353 -3.126 3.345) 4.591 4.792 ( 2.413 4.908 -6.392) 8.412 4.909 ( 3.236 -2.466 -3.852) 5.602 5.383 ( 3.558 6.623 -6.020) 9.632 5.486 ( 1.584 -4.073 -3.058) 5.334 6.123 ( -1.755 0.428 2.575) 3.145 6.141 ( -1.981 1.838 4.303) 5.081 6.382 ( -0.570 0.933 1.380) 1.761 6.435 ( -0.450 -3.311 -0.132) 3.344 6.581 ( 0.784 -0.126 -1.094) 1.352 6.652 ( 0.598 3.892 -1.072) 4.081 7.224 ( 0.230 0.680 -0.214) 0.749 7.287 ( 1.122 -0.115 -2.156) 2.433 ======================= Grid point 668 (326/477) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -4.007 16.170 6.226) 17.785 2.513 ( -0.905 14.428 -0.084) 14.457 2.747 ( 0.684 5.394 -2.096) 5.827 3.065 ( 1.534 -2.434 -4.487) 5.330 3.912 ( -6.521 8.530 4.897) 11.801 4.299 ( 0.004 0.044 1.607) 1.608 4.699 ( 4.497 4.047 -7.298) 9.479 4.988 ( 0.713 -4.900 -1.188) 5.092 5.237 ( 2.155 5.979 -6.849) 9.344 5.569 ( 2.392 -3.639 -3.499) 5.586 5.958 ( -2.684 9.957 3.932) 11.037 6.170 ( -0.143 0.044 0.408) 0.435 6.348 ( -0.649 3.559 0.026) 3.618 6.493 ( -1.964 2.101 0.321) 2.894 6.522 ( -0.408 -2.936 0.193) 2.971 6.664 ( 1.209 -2.103 -1.055) 2.645 7.220 ( -0.314 -0.775 -0.999) 1.302 7.314 ( 1.169 -2.384 -1.585) 3.092 ======================= Grid point 669 (327/477) ======================= q-point: (-0.07 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -3.061 19.573 3.951) 20.201 2.220 ( -2.660 14.101 3.987) 14.893 2.561 ( 2.220 13.605 -3.745) 14.284 3.005 ( 0.867 7.669 -4.580) 8.974 3.748 ( -6.385 7.237 3.396) 10.231 4.209 ( 1.974 7.908 -2.132) 8.424 4.650 ( 4.990 1.375 -5.619) 7.640 5.063 ( 0.049 -2.145 -1.535) 2.638 5.181 ( 0.241 -1.528 -3.493) 3.821 5.614 ( 0.920 0.728 -1.398) 1.825 5.805 ( -1.043 3.096 1.798) 3.729 6.137 ( 0.093 3.768 -0.839) 3.861 6.251 ( 0.135 3.428 -1.723) 3.839 6.455 ( -3.130 0.071 1.567) 3.501 6.608 ( -0.385 -4.070 1.894) 4.506 6.702 ( 0.975 -1.529 -1.081) 2.111 7.252 ( -0.384 -3.023 -0.612) 3.108 7.375 ( 0.603 -3.549 -0.773) 3.682 ======================= Grid point 676 (328/477) ======================= q-point: ( 0.36 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -4.909 0.000 1.686) 5.190 1.220 ( -9.833 0.000 11.217) 14.916 1.901 ( 5.612 -0.000 -22.827) 23.507 1.972 ( -11.866 0.000 23.878) 26.664 2.454 ( 6.031 -0.000 -17.472) 18.484 3.941 ( 7.167 -0.000 -17.604) 19.007 4.673 ( -1.416 0.000 3.372) 3.657 4.927 ( -2.518 0.000 5.246) 5.819 5.248 ( -2.936 0.000 1.471) 3.284 5.722 ( -2.372 0.000 5.631) 6.110 5.881 ( -0.622 0.000 -3.318) 3.376 6.252 ( 3.413 -0.000 -3.319) 4.761 6.429 ( -1.986 0.000 2.757) 3.398 6.574 ( -0.847 0.000 -3.222) 3.332 6.788 ( -1.179 0.000 -1.424) 1.849 6.923 ( 1.071 -0.000 -2.618) 2.828 7.450 ( -2.544 0.000 0.735) 2.648 7.712 ( -2.400 0.000 0.741) 2.512 ======================= Grid point 677 (329/477) ======================= q-point: (-0.57 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -5.237 -0.709 2.069) 5.675 1.328 ( -9.265 -12.316 10.808) 18.824 1.809 ( 3.984 4.166 -18.238) 19.128 2.024 ( -8.082 -4.878 17.579) 19.953 2.554 ( 5.317 -11.266 -14.647) 19.229 3.927 ( 6.715 -0.296 -17.212) 18.478 4.755 ( -0.824 -7.361 3.221) 8.077 4.911 ( -2.902 1.460 4.655) 5.676 5.310 ( -2.761 -6.911 3.164) 8.087 5.668 ( -1.127 5.974 1.816) 6.345 5.864 ( -0.426 0.183 -2.851) 2.889 6.209 ( 1.564 4.618 -0.359) 4.889 6.414 ( -1.087 1.238 1.461) 2.201 6.503 ( -0.374 5.233 -2.852) 5.972 6.770 ( -0.493 0.557 -0.457) 0.873 6.922 ( 0.865 0.065 -2.235) 2.397 7.449 ( -2.407 -0.724 1.295) 2.827 7.682 ( -2.147 1.890 -0.063) 2.861 ======================= Grid point 678 (330/477) ======================= q-point: (-0.50 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -4.053 -9.846 6.305) 12.374 1.623 ( -8.131 -17.452 12.110) 22.745 1.742 ( 5.607 -2.145 -14.544) 15.734 2.194 ( -4.024 -11.548 10.760) 16.289 2.828 ( 4.068 -17.384 -8.113) 19.611 3.921 ( 5.460 -0.944 -15.350) 16.319 4.845 ( -1.120 1.845 2.170) 3.061 4.970 ( -0.819 -9.986 3.686) 10.676 5.426 ( -2.205 2.608 5.118) 6.153 5.546 ( 0.934 -0.809 -1.132) 1.676 5.857 ( -0.650 -0.944 -2.671) 2.906 6.118 ( -0.217 5.083 3.025) 5.919 6.373 ( -0.313 4.629 -0.770) 4.703 6.396 ( 0.535 2.142 -1.317) 2.571 6.761 ( 0.057 0.702 1.844) 1.974 6.911 ( 1.354 1.027 -1.429) 2.220 7.442 ( -2.001 0.975 2.134) 3.084 7.617 ( -1.449 3.435 -0.757) 3.804 ======================= Grid point 679 (331/477) ======================= q-point: (-0.43 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -2.056 -17.365 9.105) 19.715 1.819 ( -1.129 -9.268 4.376) 10.311 2.025 ( 1.183 -19.722 -1.096) 19.787 2.490 ( -0.329 -16.972 4.812) 17.644 3.203 ( 2.776 -19.518 -0.299) 19.716 3.940 ( 3.708 -3.386 -11.531) 12.577 4.804 ( -0.339 1.414 -0.415) 1.513 5.163 ( 1.645 -6.072 1.513) 6.471 5.270 ( -0.177 6.667 1.258) 6.787 5.644 ( -0.265 -2.135 6.652) 6.991 5.905 ( -0.577 -5.475 -1.881) 5.818 6.031 ( 0.830 4.521 0.856) 4.676 6.279 ( 0.538 3.827 -0.137) 3.867 6.385 ( 0.282 -0.386 -1.163) 1.257 6.741 ( -0.810 2.275 4.033) 4.701 6.894 ( 2.181 1.269 -0.884) 2.673 7.402 ( -1.343 2.738 2.462) 3.919 7.531 ( -0.748 4.438 -0.729) 4.559 ======================= Grid point 680 (332/477) ======================= q-point: (-0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.465 -19.051 8.066) 20.694 2.060 ( -2.107 -13.492 7.690) 15.672 2.391 ( 1.081 -16.554 -0.894) 16.613 2.841 ( 2.737 -16.079 0.330) 16.314 3.552 ( 1.998 -12.639 4.174) 13.459 4.058 ( 1.351 -10.451 -4.467) 11.446 4.792 ( 0.906 -0.527 -3.292) 3.455 5.137 ( 2.910 2.812 -2.115) 4.566 5.275 ( -0.328 1.571 5.117) 5.363 5.686 ( 0.143 -2.266 4.215) 4.787 5.903 ( 2.090 5.162 -3.510) 6.583 6.064 ( -0.038 -5.960 1.861) 6.244 6.242 ( 0.794 0.138 0.946) 1.243 6.400 ( 0.492 -1.201 -1.373) 1.890 6.692 ( -1.723 3.467 5.378) 6.626 6.874 ( 2.072 2.007 -0.583) 2.943 7.344 ( -0.458 3.234 1.990) 3.825 7.439 ( -0.279 4.280 -0.445) 4.312 ======================= Grid point 681 (333/477) ======================= q-point: (-0.29 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -0.725 -17.340 6.754) 18.623 2.343 ( -2.078 -14.042 6.582) 15.647 2.639 ( -0.307 -8.189 -0.180) 8.197 3.093 ( 3.604 -6.982 -2.101) 8.133 3.764 ( 1.727 -8.620 4.091) 9.696 4.268 ( -1.322 -8.237 2.985) 8.861 4.805 ( 1.394 -1.276 -5.087) 5.427 5.103 ( 1.168 5.714 1.305) 5.977 5.231 ( 2.877 -1.199 -1.258) 3.362 5.696 ( 2.817 5.393 -4.139) 7.359 5.875 ( -0.579 -4.872 2.370) 5.449 6.156 ( -0.301 -3.035 1.441) 3.373 6.289 ( 1.257 -3.242 0.967) 3.609 6.423 ( 0.668 -1.061 -1.268) 1.783 6.627 ( -1.766 3.657 5.537) 6.867 6.829 ( 1.112 3.485 -0.502) 3.692 7.291 ( 0.549 2.678 1.055) 2.930 7.362 ( 0.005 3.313 -0.651) 3.377 ======================= Grid point 682 (334/477) ======================= q-point: (-0.21 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -2.851 -12.480 6.350) 14.290 2.581 ( -0.657 -5.130 3.985) 6.529 2.736 ( -0.660 -6.242 0.858) 6.335 3.111 ( 2.708 5.904 -3.854) 7.552 3.972 ( 0.533 -10.434 3.910) 11.155 4.309 ( -3.019 4.268 5.382) 7.503 4.820 ( 0.909 -0.969 -4.685) 4.869 4.960 ( 3.048 6.913 -3.289) 8.240 5.354 ( 3.569 -7.224 -2.407) 8.409 5.552 ( 2.605 8.090 -6.032) 10.422 6.012 ( -1.956 -7.229 3.991) 8.486 6.195 ( -0.758 -0.204 1.893) 2.049 6.360 ( 1.170 -3.136 -0.537) 3.390 6.422 ( -1.017 1.465 0.813) 1.960 6.585 ( 0.357 0.999 2.561) 2.772 6.748 ( 0.237 4.978 -0.890) 5.063 7.254 ( 0.930 1.832 0.407) 2.094 7.305 ( 0.415 2.112 -1.669) 2.724 ======================= Grid point 683 (335/477) ======================= q-point: (-0.14 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -2.423 10.043 6.061) 11.978 2.634 ( -2.643 -4.099 4.549) 6.669 2.890 ( 1.795 7.762 -2.557) 8.367 2.947 ( 1.178 -4.671 -4.032) 6.282 4.081 ( -4.740 7.153 5.963) 10.450 4.232 ( -0.595 -4.215 3.127) 5.282 4.784 ( 3.430 3.951 -6.249) 8.151 4.917 ( 2.640 -1.871 -4.054) 5.187 5.381 ( 2.816 8.577 -5.888) 10.777 5.488 ( 2.209 -5.139 -3.149) 6.419 6.120 ( -1.770 0.958 2.964) 3.583 6.145 ( -1.946 1.631 3.902) 4.655 6.382 ( -0.720 1.377 1.106) 1.907 6.430 ( -0.433 -3.888 0.219) 3.918 6.582 ( 0.793 2.833 -1.293) 3.214 6.652 ( 0.635 2.218 -0.953) 2.497 7.224 ( 0.061 1.423 -0.279) 1.452 7.287 ( 1.302 -0.438 -2.089) 2.500 ======================= Grid point 684 (336/477) ======================= q-point: (-0.07 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -2.204 16.932 6.016) 18.103 2.508 ( -0.698 14.521 1.280) 14.594 2.743 ( 0.516 4.937 -1.166) 5.099 3.055 ( 1.613 -1.930 -3.965) 4.695 3.875 ( -6.010 9.401 5.864) 12.605 4.307 ( -0.660 0.284 1.994) 2.119 4.711 ( 5.858 3.526 -7.202) 9.931 4.987 ( 0.505 -4.598 -1.406) 4.835 5.222 ( 2.339 6.373 -5.679) 8.850 5.574 ( 2.469 -3.713 -3.587) 5.723 5.956 ( -2.327 10.080 4.297) 11.202 6.172 ( -0.289 0.138 0.942) 0.995 6.342 ( -0.290 3.976 -0.375) 4.004 6.473 ( -1.447 3.964 -0.262) 4.228 6.518 ( -1.248 -4.844 1.438) 5.205 6.675 ( 1.768 -1.844 -0.767) 2.668 7.212 ( -0.172 -0.621 -0.611) 0.888 7.317 ( 1.060 -2.338 -1.547) 2.997 ======================= Grid point 692 (337/477) ======================= q-point: (-0.57 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -7.046 0.000 0.141) 7.047 1.176 ( -10.742 0.000 11.472) 15.717 1.821 ( 6.211 -0.000 -22.768) 23.600 1.993 ( -11.145 0.000 23.161) 25.703 2.410 ( 6.420 -0.000 -18.052) 19.159 3.909 ( 7.449 -0.000 -17.874) 19.364 4.677 ( -1.593 0.000 3.376) 3.733 4.927 ( -3.717 0.000 5.665) 6.776 5.223 ( -2.856 0.000 1.351) 3.160 5.730 ( -1.978 0.000 4.302) 4.735 5.857 ( 0.009 -0.000 -2.745) 2.745 6.267 ( 2.758 -0.000 -3.070) 4.127 6.432 ( -0.371 0.000 2.448) 2.476 6.544 ( -0.859 0.000 -3.161) 3.276 6.763 ( -1.390 0.000 -1.802) 2.276 6.913 ( 0.204 -0.000 -2.580) 2.588 7.428 ( -2.298 0.000 1.318) 2.649 7.686 ( -2.636 0.000 0.004) 2.636 ======================= Grid point 693 (338/477) ======================= q-point: (-0.50 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -6.933 -2.750 1.513) 7.610 1.290 ( -9.744 -13.239 11.104) 19.837 1.745 ( 5.627 2.954 -18.511) 19.572 2.045 ( -8.199 -4.887 17.796) 20.194 2.523 ( 5.741 -12.284 -14.477) 19.835 3.895 ( 7.267 -0.072 -17.333) 18.795 4.766 ( -0.810 -8.211 3.265) 8.874 4.900 ( -4.287 1.850 4.884) 6.757 5.301 ( -2.512 -8.195 3.164) 9.137 5.665 ( -0.821 6.693 0.524) 6.764 5.846 ( 0.169 0.266 -2.104) 2.127 6.221 ( 0.618 4.453 0.228) 4.502 6.417 ( 0.579 1.867 0.605) 2.046 6.481 ( -0.133 4.415 -2.668) 5.160 6.761 ( -0.542 -0.839 -0.340) 1.055 6.913 ( 0.164 -0.498 -2.169) 2.232 7.434 ( -2.085 -0.938 1.816) 2.920 7.654 ( -2.392 1.680 -0.371) 2.946 ======================= Grid point 694 (339/477) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -5.213 -12.850 6.101) 15.150 1.605 ( -8.497 -18.646 11.864) 23.677 1.723 ( 6.925 -4.296 -13.542) 15.805 2.216 ( -4.007 -11.710 10.392) 16.161 2.826 ( 4.385 -18.935 -7.377) 20.789 3.888 ( 6.206 -0.789 -15.419) 16.640 4.838 ( -2.821 2.457 2.709) 4.619 4.986 ( -0.267 -11.503 3.200) 11.943 5.431 ( -1.767 4.695 3.398) 6.059 5.550 ( 0.543 -4.841 -0.132) 4.873 5.838 ( 0.041 -0.304 -2.067) 2.090 6.132 ( -0.879 4.857 3.135) 5.847 6.363 ( -0.304 4.153 -0.922) 4.265 6.401 ( 2.265 2.354 -2.020) 3.841 6.773 ( -0.257 0.125 2.159) 2.178 6.914 ( 0.894 0.130 -1.518) 1.766 7.436 ( -1.750 0.609 2.496) 3.109 7.594 ( -1.678 2.986 -0.731) 3.502 ======================= Grid point 695 (340/477) ======================= q-point: (-0.36 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -3.311 -19.018 8.062) 20.920 1.836 ( -2.130 -10.351 6.459) 12.385 2.027 ( 1.567 -20.277 -3.086) 20.571 2.516 ( -0.019 -17.326 4.001) 17.782 3.236 ( 2.952 -20.997 0.362) 21.207 3.911 ( 4.555 -3.605 -11.898) 13.240 4.790 ( -1.811 1.248 0.032) 2.199 5.189 ( 2.230 -4.992 -0.169) 5.470 5.276 ( -0.617 4.413 2.051) 4.906 5.679 ( -0.772 -1.847 5.920) 6.249 5.891 ( -0.011 -6.478 -1.221) 6.593 6.043 ( 0.671 4.435 0.190) 4.490 6.284 ( 0.443 3.229 -0.059) 3.260 6.385 ( 1.532 0.081 -1.812) 2.374 6.756 ( -1.282 2.245 4.147) 4.887 6.909 ( 1.688 0.733 -1.245) 2.222 7.404 ( -1.198 2.452 2.655) 3.807 7.517 ( -0.896 3.934 -0.652) 4.087 ======================= Grid point 696 (341/477) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -1.998 -19.585 6.642) 20.777 2.081 ( -3.461 -13.319 8.536) 16.194 2.391 ( 1.062 -16.463 -2.749) 16.725 2.872 ( 2.831 -16.208 -0.594) 16.464 3.604 ( 2.540 -12.611 3.867) 13.433 4.043 ( 1.495 -11.588 -5.105) 12.750 4.773 ( -0.627 -0.563 -2.979) 3.096 5.157 ( 2.919 1.960 -2.287) 4.195 5.301 ( -0.486 2.062 4.415) 4.897 5.708 ( -0.173 -2.077 2.705) 3.415 5.902 ( 1.525 5.014 -3.478) 6.289 6.078 ( 0.457 -5.722 1.595) 5.958 6.258 ( 0.828 -0.414 0.883) 1.279 6.398 ( 1.036 -1.112 -1.668) 2.256 6.704 ( -2.113 3.420 5.161) 6.542 6.889 ( 1.402 2.094 -1.127) 2.761 7.352 ( -0.343 2.978 1.911) 3.555 7.432 ( -0.370 4.005 -0.465) 4.049 ======================= Grid point 697 (342/477) ======================= q-point: (-0.21 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -2.890 -16.932 5.998) 18.194 2.356 ( -2.859 -14.195 6.054) 15.695 2.634 ( 0.344 -8.239 -1.288) 8.346 3.116 ( 3.252 -6.387 -3.073) 7.798 3.808 ( 2.162 -8.059 2.848) 8.816 4.269 ( -1.685 -8.665 2.415) 9.151 4.781 ( 0.170 -1.562 -4.935) 5.179 5.123 ( 0.720 6.633 1.549) 6.849 5.253 ( 3.034 -1.844 -2.597) 4.399 5.697 ( 2.666 6.085 -5.244) 8.464 5.880 ( -1.252 -5.160 2.364) 5.812 6.162 ( -0.030 -2.675 0.911) 2.826 6.310 ( 1.157 -3.010 1.037) 3.387 6.423 ( 0.816 -1.020 -1.345) 1.875 6.640 ( -2.043 3.343 4.863) 6.245 6.833 ( 0.460 3.814 -0.997) 3.969 7.303 ( 0.684 2.466 0.727) 2.661 7.357 ( -0.119 3.350 -0.778) 3.441 ======================= Grid point 698 (343/477) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -5.171 -11.884 6.247) 14.388 2.597 ( -0.500 -5.735 3.139) 6.557 2.737 ( 0.271 -6.474 0.107) 6.481 3.114 ( 2.461 6.731 -4.340) 8.379 3.999 ( 0.443 -9.473 2.803) 9.889 4.307 ( -3.328 4.447 5.194) 7.605 4.800 ( 1.038 -1.455 -5.013) 5.322 4.971 ( 2.494 6.900 -2.996) 7.925 5.370 ( 2.686 -6.938 -3.791) 8.349 5.545 ( 3.001 8.293 -5.715) 10.509 6.013 ( -2.254 -7.198 3.725) 8.413 6.197 ( -0.703 -0.200 1.173) 1.383 6.369 ( 0.348 -2.418 0.559) 2.506 6.419 ( -0.095 1.695 0.401) 1.744 6.602 ( 0.081 0.668 1.710) 1.837 6.741 ( -0.245 5.272 -1.206) 5.413 7.266 ( 0.769 2.294 0.285) 2.436 7.299 ( 0.542 1.823 -1.997) 2.758 ======================= Grid point 699 (344/477) ======================= q-point: (-0.07 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -1.673 8.976 5.219) 10.517 2.628 ( -3.889 -3.601 5.354) 7.534 2.895 ( 2.193 12.234 -3.134) 12.818 2.936 ( 1.275 -8.722 -3.358) 9.433 4.072 ( -3.558 8.903 6.044) 11.334 4.237 ( -1.909 -4.751 3.058) 5.964 4.790 ( 4.390 2.725 -6.091) 7.988 4.917 ( 1.942 -1.429 -4.347) 4.971 5.373 ( 2.456 8.224 -5.614) 10.256 5.494 ( 2.508 -4.577 -3.391) 6.224 6.120 ( -1.851 1.139 3.429) 4.060 6.146 ( -1.960 1.244 3.426) 4.138 6.380 ( -0.884 1.284 0.958) 1.829 6.429 ( -0.125 -3.426 0.478) 3.461 6.582 ( 0.726 5.192 -1.409) 5.428 6.654 ( 0.623 0.156 -0.892) 1.099 7.222 ( -0.053 1.807 -0.286) 1.830 7.289 ( 1.415 -0.596 -2.098) 2.600 ======================= Grid point 708 (345/477) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -8.722 0.000 0.468) 8.735 1.126 ( -11.320 0.000 12.542) 16.895 1.756 ( 7.877 -0.000 -22.324) 23.673 2.013 ( -11.378 0.000 22.943) 25.609 2.372 ( 7.234 -0.000 -17.977) 19.378 3.884 ( 8.403 -0.000 -17.871) 19.748 4.679 ( -1.919 0.000 3.412) 3.915 4.915 ( -4.884 0.000 6.005) 7.740 5.202 ( -2.476 0.000 1.546) 2.919 5.732 ( -1.912 0.000 3.341) 3.849 5.847 ( 0.720 -0.000 -1.903) 2.035 6.275 ( 2.075 -0.000 -2.996) 3.644 6.451 ( 1.298 -0.000 1.909) 2.308 6.517 ( -0.619 0.000 -2.651) 2.723 6.736 ( -1.388 0.000 -1.688) 2.185 6.895 ( -0.458 0.000 -2.424) 2.467 7.416 ( -1.818 0.000 2.029) 2.724 7.655 ( -2.696 0.000 0.007) 2.696 ======================= Grid point 709 (346/477) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -8.210 -4.922 2.464) 9.884 1.252 ( -9.867 -14.068 12.196) 21.071 1.703 ( 7.541 1.732 -17.927) 19.525 2.063 ( -8.806 -4.960 17.839) 20.503 2.501 ( 6.433 -13.249 -13.824) 20.200 3.873 ( 8.332 0.235 -17.196) 19.110 4.776 ( -1.184 -9.240 3.142) 9.831 4.879 ( -4.993 2.322 5.132) 7.527 5.295 ( -2.140 -9.277 3.243) 10.058 5.657 ( -0.803 7.298 0.020) 7.342 5.842 ( 0.892 0.425 -1.297) 1.630 6.225 ( -0.341 4.287 0.476) 4.327 6.431 ( 1.271 3.165 -0.384) 3.432 6.470 ( 1.213 3.108 -2.027) 3.904 6.753 ( -0.544 -2.155 -0.139) 2.227 6.899 ( -0.378 -1.082 -1.970) 2.279 7.426 ( -1.606 -1.007 2.394) 3.054 7.625 ( -2.375 1.531 0.026) 2.826 ======================= Grid point 710 (347/477) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -6.417 -15.471 6.078) 17.818 1.584 ( -8.693 -19.283 12.054) 24.345 1.725 ( 8.064 -5.944 -12.555) 16.062 2.234 ( -4.420 -12.011 10.156) 16.338 2.833 ( 4.681 -20.291 -6.689) 21.871 3.866 ( 7.373 -0.542 -15.256) 16.953 4.816 ( -4.307 2.431 3.247) 5.916 5.005 ( 0.576 -12.241 2.337) 12.476 5.430 ( -1.472 6.584 2.113) 7.070 5.556 ( 0.021 -8.222 0.838) 8.264 5.832 ( 0.876 0.309 -1.375) 1.659 6.137 ( -1.792 4.570 2.952) 5.728 6.355 ( -0.140 3.903 -0.882) 4.004 6.422 ( 3.844 2.657 -2.544) 5.320 6.782 ( -0.708 -0.269 2.084) 2.218 6.912 ( 0.445 -0.696 -1.601) 1.801 7.435 ( -1.402 0.415 2.862) 3.214 7.572 ( -1.665 2.653 -0.218) 3.140 ======================= Grid point 711 (348/477) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -4.728 -20.373 6.665) 21.951 1.850 ( -4.588 -11.088 9.545) 15.333 2.022 ( 3.160 -19.985 -6.474) 21.244 2.540 ( -0.024 -17.739 3.314) 18.046 3.272 ( 2.655 -22.372 0.499) 22.534 3.893 ( 5.821 -3.387 -12.150) 13.892 4.765 ( -2.755 1.213 0.423) 3.039 5.210 ( 2.774 -3.211 -2.153) 4.758 5.281 ( -1.218 1.755 2.916) 3.615 5.701 ( -1.413 -1.431 4.820) 5.223 5.889 ( 0.632 -6.888 -0.511) 6.936 6.046 ( -0.139 3.975 -0.319) 3.990 6.288 ( 0.341 2.600 -0.116) 2.625 6.398 ( 2.973 0.900 -2.210) 3.812 6.763 ( -1.959 2.188 3.739) 4.754 6.916 ( 1.041 0.369 -1.724) 2.048 7.409 ( -0.970 2.304 2.743) 3.711 7.503 ( -0.918 3.551 -0.345) 3.684 ======================= Grid point 712 (349/477) ======================= q-point: (-0.21 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -3.704 -20.037 5.015) 20.985 2.089 ( -5.291 -13.020 9.390) 16.902 2.382 ( 1.784 -16.572 -5.023) 17.408 2.896 ( 2.563 -16.110 -1.638) 16.395 3.656 ( 2.305 -12.755 3.315) 13.379 4.027 ( 2.004 -11.971 -6.089) 13.579 4.742 ( -1.423 -0.435 -2.716) 3.097 5.173 ( 2.579 1.264 -2.568) 3.852 5.319 ( -0.723 2.329 3.271) 4.080 5.717 ( -0.542 -1.718 1.293) 2.218 5.893 ( 0.648 4.858 -2.931) 5.711 6.093 ( 0.599 -5.549 0.919) 5.656 6.271 ( 0.593 -0.949 0.452) 1.206 6.404 ( 2.022 -0.642 -1.709) 2.724 6.707 ( -2.812 3.279 4.483) 6.225 6.891 ( 0.626 2.169 -1.772) 2.870 7.361 ( -0.141 2.827 1.617) 3.259 7.425 ( -0.472 3.813 -0.380) 3.861 ======================= Grid point 713 (350/477) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -5.202 -16.580 5.388) 18.193 2.355 ( -3.563 -14.496 5.121) 15.782 2.631 ( 1.257 -8.863 -2.570) 9.314 3.126 ( 2.756 -5.874 -4.225) 7.743 3.847 ( 2.051 -7.312 1.719) 7.786 4.260 ( -1.999 -9.111 1.492) 9.446 4.749 ( -0.191 -1.922 -4.935) 5.300 5.137 ( -0.085 7.119 1.482) 7.272 5.266 ( 2.949 -1.995 -4.050) 5.393 5.690 ( 2.251 6.058 -5.665) 8.594 5.877 ( -1.843 -5.272 2.198) 6.001 6.167 ( 0.130 -2.214 0.315) 2.240 6.326 ( 0.529 -3.040 0.801) 3.187 6.427 ( 1.624 -0.792 -1.404) 2.288 6.641 ( -2.689 2.965 3.925) 5.606 6.827 ( -0.186 3.981 -1.499) 4.258 7.315 ( 0.876 2.255 0.095) 2.421 7.350 ( -0.323 3.472 -0.736) 3.563 ======================= Grid point 714 (351/477) ======================= q-point: (-0.07 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -6.968 -11.727 6.337) 15.041 2.606 ( -0.813 -7.608 1.730) 7.845 2.743 ( 1.145 -5.828 -0.683) 5.978 3.112 ( 2.284 6.941 -4.734) 8.706 4.018 ( 0.170 -8.770 1.921) 8.979 4.299 ( -3.647 4.398 4.835) 7.484 4.780 ( 1.451 -2.494 -5.583) 6.284 4.978 ( 1.746 7.065 -2.542) 7.709 5.366 ( 2.063 -5.981 -5.711) 8.523 5.547 ( 3.104 7.365 -4.838) 9.342 6.009 ( -2.544 -7.449 3.529) 8.626 6.194 ( -0.690 -0.114 0.509) 0.864 6.373 ( -0.934 -1.434 1.759) 2.454 6.426 ( 1.416 1.457 -0.357) 2.063 6.608 ( -0.432 -0.062 0.819) 0.928 6.727 ( -0.630 5.416 -1.471) 5.647 7.274 ( 0.157 3.197 0.087) 3.202 7.294 ( 1.075 0.979 -2.303) 2.724 ======================= Grid point 723 (352/477) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -9.514 0.000 3.245) 10.052 1.083 ( -11.317 0.000 14.399) 18.315 1.717 ( 9.904 -0.000 -21.341) 23.528 2.026 ( -12.364 0.000 23.102) 26.203 2.347 ( 8.317 -0.000 -17.219) 19.123 3.873 ( 9.635 -0.000 -17.669) 20.125 4.677 ( -2.354 0.000 3.446) 4.173 4.894 ( -5.575 0.000 6.163) 8.310 5.189 ( -1.849 0.000 2.044) 2.756 5.730 ( -1.990 0.000 3.075) 3.663 5.850 ( 1.530 -0.000 -0.975) 1.814 6.275 ( 1.367 -0.000 -3.078) 3.368 6.484 ( 2.788 -0.000 1.088) 2.992 6.497 ( -0.207 0.000 -1.846) 1.858 6.712 ( -1.151 0.000 -1.063) 1.567 6.873 ( -0.904 0.000 -2.111) 2.296 7.413 ( -1.249 0.000 2.576) 2.863 7.628 ( -2.362 0.000 0.857) 2.513 ======================= Grid point 724 (353/477) ======================= q-point: (-0.36 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -8.911 -6.413 5.140) 12.123 1.225 ( -9.528 -14.579 13.806) 22.224 1.688 ( 9.382 0.731 -16.822) 19.275 2.072 ( -9.925 -5.146 18.204) 21.363 2.493 ( 7.316 -13.954 -12.920) 20.376 3.865 ( 9.479 0.565 -16.843) 19.336 4.776 ( -2.444 -9.070 3.120) 9.898 4.858 ( -4.147 1.457 5.053) 6.697 5.294 ( -1.752 -9.934 3.406) 10.647 5.649 ( -0.829 7.757 0.340) 7.809 5.850 ( 1.763 0.674 -0.591) 1.978 6.219 ( -1.209 4.228 0.366) 4.412 6.434 ( 0.329 4.319 -0.985) 4.442 6.490 ( 3.877 2.063 -1.493) 4.639 6.747 ( -0.488 -3.054 0.078) 3.094 6.880 ( -0.774 -1.602 -1.622) 2.407 7.428 ( -1.082 -0.981 2.756) 3.119 7.604 ( -1.945 1.558 1.182) 2.758 ======================= Grid point 725 (354/477) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -7.444 -17.154 6.403) 19.766 1.563 ( -8.814 -19.127 12.442) 24.461 1.744 ( 8.915 -6.796 -11.666) 16.179 2.246 ( -5.086 -12.505 10.292) 16.976 2.846 ( 4.969 -21.109 -6.320) 22.588 3.861 ( 8.558 -0.293 -14.858) 17.149 4.786 ( -4.782 2.120 3.690) 6.402 5.026 ( 1.101 -12.413 1.161) 12.515 5.426 ( -1.298 7.744 1.810) 8.058 5.560 ( -0.540 -10.062 1.257) 10.154 5.841 ( 1.842 0.774 -0.764) 2.139 6.128 ( -2.825 4.374 2.548) 5.797 6.349 ( 0.047 3.762 -0.673) 3.822 6.455 ( 5.034 3.022 -2.864) 6.533 6.783 ( -1.238 -0.340 1.687) 2.119 6.904 ( -0.014 -1.289 -1.670) 2.110 7.440 ( -1.022 0.370 3.035) 3.224 7.556 ( -1.350 2.613 0.789) 3.045 ======================= Grid point 726 (355/477) ======================= q-point: (-0.21 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -5.993 -21.286 5.297) 22.739 1.850 ( -7.976 -11.836 12.717) 19.116 2.018 ( 5.691 -18.618 -10.243) 21.999 2.557 ( -0.318 -18.044 2.858) 18.271 3.300 ( 1.984 -23.281 -0.046) 23.365 3.889 ( 7.193 -2.868 -12.155) 14.412 4.736 ( -2.937 1.343 0.744) 3.314 5.225 ( 2.980 -1.466 -3.618) 4.911 5.285 ( -1.675 -0.307 3.095) 3.532 5.709 ( -2.048 -1.383 3.802) 4.535 5.898 ( 1.076 -6.209 -0.089) 6.303 6.035 ( -1.248 3.210 -0.634) 3.502 6.290 ( 0.246 2.167 -0.313) 2.204 6.424 ( 4.242 1.718 -2.331) 5.136 6.758 ( -2.752 2.194 3.050) 4.657 6.911 ( 0.318 0.212 -2.256) 2.288 7.417 ( -0.731 2.292 2.602) 3.544 7.493 ( -0.774 3.445 0.212) 3.537 ======================= Grid point 727 (356/477) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -5.311 -20.324 3.547) 21.304 2.081 ( -6.998 -12.822 9.948) 17.673 2.368 ( 2.805 -16.735 -7.297) 18.471 2.908 ( 1.995 -15.771 -2.656) 16.117 3.695 ( 1.161 -13.397 2.653) 13.706 4.012 ( 3.062 -11.234 -7.276) 13.730 4.709 ( -1.494 -0.197 -2.483) 2.904 5.181 ( 1.952 0.992 -2.825) 3.574 5.325 ( -0.979 2.283 1.708) 3.015 5.713 ( -0.906 -1.099 0.268) 1.450 5.879 ( -0.259 4.647 -2.119) 5.114 6.102 ( 0.361 -5.714 0.018) 5.725 6.275 ( 0.178 -1.137 -0.334) 1.198 6.424 ( 3.162 -0.016 -1.486) 3.493 6.697 ( -3.632 3.119 3.709) 6.056 6.880 ( -0.132 2.198 -2.385) 3.246 7.369 ( -0.003 2.795 0.981) 2.962 7.418 ( -0.464 3.774 -0.035) 3.803 ======================= Grid point 728 (357/477) ======================= q-point: (-0.07 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -7.008 -16.458 4.906) 18.548 2.341 ( -4.019 -14.781 3.990) 15.829 2.628 ( 1.813 -9.840 -3.903) 10.740 3.124 ( 2.222 -5.564 -5.327) 8.017 3.875 ( 1.362 -6.595 0.974) 6.804 4.243 ( -1.998 -9.458 0.288) 9.671 4.716 ( -0.017 -2.238 -5.020) 5.496 5.140 ( -0.899 7.004 1.046) 7.138 5.268 ( 2.673 -1.562 -5.305) 6.142 5.677 ( 1.762 5.459 -5.474) 7.929 5.867 ( -2.271 -5.275 2.005) 6.083 6.168 ( 0.164 -1.809 -0.293) 1.840 6.330 ( -0.361 -3.363 0.045) 3.383 6.443 ( 2.729 -0.417 -1.236) 3.025 6.629 ( -3.484 2.598 3.123) 5.351 6.810 ( -0.735 3.957 -1.895) 4.448 7.321 ( 0.692 2.078 -1.289) 2.541 7.343 ( -0.175 3.668 0.044) 3.672 ======================= Grid point 738 (358/477) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -9.180 0.000 8.412) 12.451 1.058 ( -10.616 0.000 16.685) 19.776 1.708 ( 11.714 -0.000 -19.968) 23.150 2.027 ( -13.819 0.000 23.694) 27.430 2.342 ( 9.427 -0.000 -15.936) 18.516 3.876 ( 10.654 -0.000 -17.351) 20.361 4.670 ( -2.763 0.000 3.496) 4.456 4.870 ( -5.647 0.000 6.176) 8.369 5.187 ( -1.147 0.000 2.726) 2.957 5.728 ( -2.002 0.000 3.470) 4.006 5.869 ( 2.499 -0.000 -0.260) 2.513 6.266 ( 0.702 -0.000 -3.355) 3.428 6.489 ( 0.296 -0.000 -0.918) 0.965 6.526 ( 3.837 -0.000 0.095) 3.838 6.697 ( -0.723 0.000 -0.042) 0.725 6.849 ( -1.147 0.000 -1.676) 2.030 7.419 ( -0.734 0.000 2.658) 2.758 7.616 ( -1.491 0.000 2.495) 2.906 ======================= Grid point 739 (359/477) ======================= q-point: (-0.29 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -8.822 -6.424 9.348) 14.370 1.214 ( -8.858 -14.474 15.396) 22.912 1.700 ( 10.891 0.036 -15.417) 18.876 2.070 ( -11.346 -5.509 19.084) 22.875 2.502 ( 8.274 -14.261 -12.071) 20.434 3.872 ( 10.261 0.818 -16.338) 19.310 4.762 ( -3.658 -6.786 3.614) 8.514 4.850 ( -2.632 -1.636 4.249) 5.260 5.298 ( -1.494 -10.012 3.629) 10.753 5.644 ( -0.835 8.092 1.186) 8.221 5.874 ( 2.805 0.994 -0.157) 2.980 6.203 ( -1.864 4.324 -0.016) 4.709 6.433 ( 0.433 4.523 -0.484) 4.569 6.530 ( 4.912 2.053 -1.843) 5.634 6.743 ( -0.383 -3.288 0.239) 3.318 6.861 ( -1.046 -1.981 -1.181) 2.533 7.436 ( -0.636 -0.949 2.683) 2.916 7.599 ( -1.083 1.886 2.910) 3.633 ======================= Grid point 740 (360/477) ======================= q-point: (-0.21 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -7.941 -17.468 7.395) 20.564 1.543 ( -8.950 -18.101 12.861) 23.941 1.777 ( 9.553 -6.802 -10.993) 16.075 2.251 ( -5.841 -13.171 10.775) 17.991 2.864 ( 5.277 -21.160 -6.420) 22.734 3.870 ( 9.397 -0.169 -14.319) 17.128 4.759 ( -4.226 1.947 4.036) 6.160 5.043 ( 1.158 -12.350 -0.245) 12.407 5.425 ( -1.235 8.276 2.294) 8.676 5.558 ( -1.200 -10.364 1.198) 10.502 5.864 ( 2.858 1.118 -0.367) 3.091 6.106 ( -3.614 4.344 2.105) 6.030 6.347 ( 0.178 3.835 -0.423) 3.862 6.497 ( 5.590 3.236 -2.938) 7.096 6.775 ( -1.765 -0.042 1.127) 2.095 6.890 ( -0.469 -1.533 -1.737) 2.363 7.449 ( -0.719 0.415 2.841) 2.960 7.553 ( -0.793 2.994 2.130) 3.759 ======================= Grid point 741 (361/477) ======================= q-point: (-0.14 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -6.851 -21.554 4.406) 23.042 1.832 ( -10.356 -12.618 14.255) 21.672 2.021 ( 7.577 -16.401 -12.537) 21.990 2.568 ( -0.927 -18.079 2.590) 18.287 3.314 ( 1.235 -23.397 -1.178) 23.460 3.900 ( 8.308 -2.357 -11.956) 14.748 4.711 ( -2.445 1.693 1.023) 3.144 5.232 ( 2.799 -0.961 -4.365) 5.273 5.282 ( -1.968 -0.479 2.514) 3.228 5.703 ( -2.754 -1.917 2.916) 4.446 5.911 ( 1.168 -4.121 0.059) 4.284 6.012 ( -1.897 2.090 -0.731) 2.915 6.290 ( 0.132 2.011 -0.560) 2.091 6.462 ( 4.895 2.267 -2.212) 5.831 6.740 ( -3.452 2.288 2.382) 4.778 6.894 ( -0.375 0.234 -2.732) 2.767 7.425 ( -0.624 2.404 2.103) 3.254 7.489 ( -0.445 3.673 1.001) 3.833 ======================= Grid point 742 (362/477) ======================= q-point: (-0.07 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -6.531 -20.395 2.514) 21.562 2.059 ( -7.942 -12.816 10.029) 18.108 2.352 ( 3.543 -16.701 -9.205) 19.396 2.906 ( 1.205 -15.278 -3.494) 15.719 3.713 ( -0.741 -14.662 1.828) 14.794 4.006 ( 4.666 -9.352 -8.319) 13.358 4.678 ( -1.083 0.172 -2.256) 2.509 5.181 ( 1.146 1.290 -2.907) 3.381 5.318 ( -1.130 1.853 -0.123) 2.174 5.700 ( -1.375 -0.397 -0.319) 1.466 5.862 ( -0.894 4.316 -1.273) 4.587 6.101 ( -0.025 -6.079 -0.932) 6.150 6.271 ( -0.031 -0.805 -1.102) 1.365 6.455 ( 3.776 0.482 -1.178) 3.985 6.674 ( -4.240 2.987 3.170) 6.079 6.858 ( -0.772 2.156 -2.824) 3.636 7.371 ( -0.205 2.990 0.003) 2.997 7.416 ( -0.121 3.794 0.614) 3.845 ======================= Grid point 753 (363/477) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -7.903 0.000 14.344) 16.377 1.057 ( -9.379 0.000 18.711) 20.931 1.726 ( 13.003 -0.000 -18.350) 22.490 2.016 ( -15.316 0.000 24.710) 29.072 2.357 ( 10.308 -0.000 -14.435) 17.738 3.890 ( 11.020 -0.000 -16.947) 20.215 4.660 ( -2.988 0.000 3.611) 4.687 4.848 ( -5.152 0.000 6.212) 8.071 5.197 ( -0.585 0.000 3.405) 3.455 5.729 ( -2.113 0.000 4.139) 4.647 5.903 ( 3.625 -0.000 -0.064) 3.625 6.248 ( 0.244 -0.000 -3.856) 3.864 6.492 ( 0.827 -0.000 0.001) 0.827 6.570 ( 4.307 -0.000 -0.832) 4.386 6.696 ( -0.216 0.000 1.135) 1.155 6.826 ( -1.187 0.000 -1.272) 1.740 7.429 ( -0.350 0.000 2.336) 2.362 7.628 ( -0.240 0.000 4.334) 4.341 ======================= Grid point 754 (364/477) ======================= q-point: (-0.21 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -7.891 -4.812 13.957) 16.740 1.220 ( -8.119 -13.577 16.518) 22.871 1.736 ( 12.082 -0.367 -13.991) 18.489 2.060 ( -12.693 -6.032 20.334) 24.717 2.526 ( 9.092 -14.145 -11.467) 20.353 3.887 ( 10.404 0.873 -15.731) 18.880 4.745 ( -3.356 -5.324 3.997) 7.455 4.849 ( -2.122 -3.860 3.473) 5.609 5.306 ( -1.395 -9.461 3.891) 10.325 5.644 ( -1.042 8.248 2.220) 8.605 5.911 ( 3.840 1.332 -0.224) 4.071 6.178 ( -2.155 4.531 -0.536) 5.046 6.439 ( 0.766 4.877 0.181) 4.940 6.574 ( 5.040 1.992 -2.180) 5.842 6.742 ( -0.256 -2.745 0.297) 2.773 6.842 ( -1.176 -2.168 -0.781) 2.587 7.447 ( -0.297 -0.933 2.392) 2.585 7.616 ( -0.154 2.527 4.485) 5.150 ======================= Grid point 755 (365/477) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -7.720 -16.208 9.100) 20.127 1.525 ( -8.989 -16.450 13.407) 23.047 1.819 ( 10.107 -5.997 -10.756) 15.931 2.251 ( -6.608 -13.840 11.333) 19.070 2.883 ( 5.542 -20.429 -6.948) 22.278 3.889 ( 9.760 -0.258 -13.795) 16.901 4.744 ( -3.034 2.056 4.282) 5.636 5.048 ( 0.712 -12.175 -1.693) 12.313 5.428 ( -1.416 8.234 3.185) 8.941 5.548 ( -1.665 -9.342 1.002) 9.542 5.899 ( 3.573 1.438 -0.320) 3.865 6.075 ( -3.890 4.406 1.783) 6.142 6.348 ( 0.235 4.193 -0.200) 4.205 6.542 ( 5.378 3.233 -2.767) 6.858 6.758 ( -2.085 0.559 0.607) 2.242 6.871 ( -0.861 -1.395 -1.818) 2.448 7.459 ( -0.540 0.583 2.466) 2.591 7.565 ( -0.286 3.681 3.275) 4.935 ======================= Grid point 756 (366/477) ======================= q-point: (-0.07 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -7.189 -20.988 4.293) 22.597 1.802 ( -10.879 -13.000 14.499) 22.306 2.028 ( 8.236 -13.964 -13.548) 21.128 2.569 ( -1.840 -17.811 2.437) 18.071 3.313 ( 0.644 -22.662 -2.555) 22.815 3.923 ( 8.991 -2.070 -11.753) 14.942 4.695 ( -1.623 2.274 1.284) 3.074 5.231 ( 2.108 -3.089 -4.975) 6.224 5.273 ( -2.005 2.489 1.981) 3.760 5.683 ( -3.483 -2.716 1.985) 4.842 5.922 ( 0.467 -0.323 0.286) 0.636 5.988 ( -1.302 0.001 -0.689) 1.473 6.286 ( 0.058 2.043 -0.713) 2.165 6.504 ( 4.597 2.509 -1.922) 5.579 6.713 ( -3.650 2.448 1.923) 4.798 6.868 ( -0.929 0.376 -3.036) 3.197 7.429 ( -0.690 2.703 1.466) 3.151 7.495 ( -0.053 4.070 1.706) 4.413 ======================= Grid point 768 (367/477) ======================= q-point: (-0.21 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -6.488 0.000 18.476) 19.582 1.082 ( -8.013 0.000 19.822) 21.381 1.766 ( 13.826 -0.000 -16.579) 21.588 1.998 ( -16.306 0.000 25.958) 30.654 2.389 ( 10.766 -0.000 -13.072) 16.934 3.907 ( 10.581 -0.000 -16.368) 19.490 4.650 ( -2.959 0.000 3.799) 4.815 4.835 ( -4.195 0.000 6.395) 7.648 5.216 ( -0.295 0.000 3.920) 3.931 5.731 ( -2.663 0.000 4.778) 5.470 5.948 ( 4.579 -0.000 -0.642) 4.623 6.224 ( 0.123 -0.000 -4.432) 4.434 6.507 ( 1.327 -0.000 0.809) 1.554 6.611 ( 4.095 -0.000 -1.455) 4.346 6.707 ( 0.235 -0.000 2.171) 2.184 6.806 ( -0.932 0.000 -1.150) 1.480 7.441 ( -0.016 0.000 2.097) 2.097 7.663 ( 0.638 -0.000 5.364) 5.402 ======================= Grid point 769 (368/477) ======================= q-point: (-0.14 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -6.567 -2.451 17.238) 18.608 1.239 ( -7.457 -12.064 17.087) 22.206 1.793 ( 13.110 -0.447 -12.998) 18.466 2.044 ( -13.605 -6.534 21.603) 26.352 2.559 ( 9.501 -13.670 -11.181) 20.054 3.905 ( 10.010 0.650 -15.051) 18.087 4.739 ( -2.274 -5.461 3.834) 7.049 4.846 ( -2.257 -4.089 3.339) 5.741 5.316 ( -1.351 -8.448 4.140) 9.504 5.647 ( -1.625 8.047 3.292) 8.845 5.955 ( 4.392 1.623 -0.939) 4.775 6.149 ( -1.941 4.753 -1.018) 5.234 6.452 ( 1.022 5.487 0.725) 5.628 6.614 ( 4.277 1.798 -2.217) 5.142 6.742 ( -0.012 -1.546 0.257) 1.567 6.825 ( -1.018 -2.115 -0.580) 2.418 7.460 ( -0.014 -0.866 2.270) 2.429 7.648 ( 0.129 3.258 5.187) 6.127 ======================= Grid point 770 (369/477) ======================= q-point: (-0.07 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -6.937 -13.623 11.051) 18.863 1.513 ( -8.705 -14.599 14.231) 22.168 1.866 ( 10.553 -4.478 -11.142) 15.986 2.245 ( -7.368 -14.263 11.665) 19.844 2.899 ( 5.607 -19.122 -7.732) 21.374 3.913 ( 9.814 -0.560 -13.432) 16.645 4.745 ( -1.797 2.437 4.406) 5.346 5.036 ( -0.202 -11.913 -2.814) 12.243 5.432 ( -2.038 7.296 4.169) 8.646 5.536 ( -1.451 -6.931 0.903) 7.139 5.937 ( 3.624 1.723 -0.677) 4.070 6.044 ( -3.502 4.469 1.644) 5.911 6.350 ( 0.224 4.776 0.017) 4.781 6.580 ( 3.927 3.054 -2.303) 5.482 6.739 ( -1.552 1.319 0.211) 2.047 6.848 ( -1.076 -0.925 -1.919) 2.387 7.469 ( -0.455 0.952 2.234) 2.471 7.585 ( -0.160 4.333 3.757) 5.737 ======================= Grid point 783 (370/477) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -5.563 0.000 19.728) 20.497 1.125 ( -6.922 0.000 19.783) 20.959 1.825 ( 13.968 -0.000 -14.506) 20.137 1.981 ( -15.991 0.000 26.569) 31.010 2.431 ( 10.720 -0.000 -12.134) 16.191 3.920 ( 9.723 -0.000 -15.511) 18.307 4.642 ( -2.720 0.000 4.002) 4.839 4.835 ( -3.019 0.000 6.590) 7.249 5.239 ( -0.291 0.000 4.189) 4.200 5.728 ( -3.598 0.000 5.388) 6.478 5.994 ( 4.745 -0.000 -1.912) 5.115 6.196 ( 0.363 -0.000 -4.743) 4.757 6.532 ( 1.711 -0.000 1.376) 2.196 6.641 ( 2.642 -0.000 -1.518) 3.047 6.727 ( 0.525 -0.000 2.835) 2.883 6.792 ( 0.104 -0.000 -1.531) 1.535 7.456 ( 0.288 -0.000 2.107) 2.126 7.704 ( 0.244 -0.000 5.408) 5.414 ======================= Grid point 784 (371/477) ======================= q-point: (-0.07 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -5.416 -0.481 18.257) 19.050 1.268 ( -6.883 -10.429 17.250) 21.300 1.865 ( 13.894 -0.133 -12.955) 18.998 2.029 ( -13.985 -6.668 22.550) 27.359 2.595 ( 9.334 -12.929 -11.212) 19.493 3.921 ( 9.557 0.199 -14.392) 17.278 4.740 ( -1.480 -6.889 3.052) 7.679 4.842 ( -2.352 -2.285 4.034) 5.198 5.328 ( -1.329 -7.306 4.267) 8.564 5.649 ( -2.429 7.378 4.351) 8.903 5.994 ( 4.021 1.771 -2.113) 4.875 6.124 ( -1.124 4.886 -1.299) 5.179 6.470 ( 1.064 6.277 1.061) 6.454 6.637 ( 1.832 1.520 -1.707) 2.929 6.747 ( 0.914 -0.226 0.141) 0.952 6.813 ( -0.250 -1.615 -0.747) 1.797 7.475 ( 0.168 -0.697 2.280) 2.390 7.680 ( -0.570 3.703 5.208) 6.415 ======================= Grid point 798 (372/477) ======================= q-point: (-0.07 -0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -4.943 0.000 18.801) 19.440 1.174 ( -6.312 0.000 18.800) 19.831 1.890 ( 9.641 -0.000 -8.041) 12.554 1.980 ( -10.864 0.000 21.347) 23.952 2.474 ( 10.212 -0.000 -11.774) 15.586 3.931 ( 9.188 -0.000 -14.574) 17.229 4.639 ( -2.375 0.000 4.139) 4.772 4.849 ( -2.086 0.000 6.516) 6.841 5.261 ( -0.519 0.000 4.198) 4.230 5.719 ( -4.461 0.000 6.058) 7.523 6.026 ( 3.813 -0.000 -3.351) 5.077 6.174 ( 1.026 -0.000 -4.519) 4.635 6.562 ( 1.876 -0.000 1.546) 2.430 6.645 ( -0.757 0.000 -0.871) 1.154 6.753 ( 0.617 -0.000 3.029) 3.092 6.794 ( 2.511 -0.000 -2.303) 3.407 7.474 ( 0.464 -0.000 2.147) 2.196 7.733 ( -1.332 0.000 5.296) 5.461 ======================= Grid point 799 (373/477) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -6.218 0.000 13.286) 14.669 1.480 ( -3.775 0.000 8.465) 9.269 1.688 ( 10.075 -0.000 -12.956) 16.412 2.315 ( 4.951 -0.000 -6.747) 8.369 2.382 ( -7.827 0.000 13.276) 15.412 3.706 ( 5.693 -0.000 -8.555) 10.276 4.695 ( -0.676 0.000 1.432) 1.584 4.961 ( -1.052 0.000 2.910) 3.095 5.335 ( -0.381 0.000 1.584) 1.630 5.781 ( -0.588 0.000 1.352) 1.475 5.967 ( 0.512 -0.000 -2.151) 2.211 6.128 ( 0.132 -0.000 -0.262) 0.294 6.609 ( 0.679 -0.000 0.486) 0.835 6.625 ( -2.069 0.000 0.608) 2.156 6.770 ( 2.521 -0.000 -1.711) 3.047 6.817 ( 0.222 -0.000 1.112) 1.134 7.518 ( 0.210 -0.000 0.711) 0.742 7.817 ( -0.965 0.000 2.053) 2.269 ======================= Grid point 800 (374/477) ======================= q-point: ( 0.07 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -6.513 1.368 13.399) 14.961 1.512 ( 3.319 -1.973 -3.823) 5.433 1.779 ( 1.355 -7.968 -1.969) 8.319 2.231 ( 0.015 3.901 -1.112) 4.056 2.551 ( -2.674 -12.781 4.128) 13.695 3.719 ( 5.672 -0.969 -8.786) 10.502 4.769 ( -0.569 -6.985 0.942) 7.071 4.933 ( -0.895 3.049 2.337) 3.944 5.401 ( -0.902 -5.858 1.486) 6.110 5.711 ( -0.265 7.256 0.770) 7.301 5.956 ( -0.227 0.345 -1.448) 1.505 6.103 ( 0.489 2.659 0.277) 2.718 6.518 ( -0.098 7.424 0.461) 7.438 6.600 ( -2.058 1.925 0.077) 2.819 6.789 ( 0.621 0.957 -1.358) 1.774 6.795 ( 1.960 1.227 0.144) 2.317 7.528 ( -0.161 -0.305 0.452) 0.568 7.775 ( -1.106 4.082 1.710) 4.562 ======================= Grid point 801 (375/477) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -5.700 -3.234 12.084) 13.747 1.572 ( 7.277 -4.886 -14.031) 16.543 1.956 ( -8.032 -8.124 14.981) 18.840 2.216 ( 3.573 -4.804 -8.744) 10.598 2.849 ( -2.715 -17.974 3.123) 18.444 3.755 ( 5.627 -2.377 -8.882) 10.780 4.849 ( -0.676 5.373 1.062) 5.519 4.935 ( -0.084 -8.889 1.021) 8.948 5.497 ( -1.674 6.492 2.261) 7.076 5.536 ( 0.259 0.322 -0.530) 0.672 5.954 ( -0.561 -0.801 -0.842) 1.291 6.039 ( 0.767 4.328 0.825) 4.472 6.369 ( 0.322 7.022 -0.274) 7.034 6.543 ( -2.590 2.194 0.558) 3.440 6.745 ( -0.720 1.650 -0.852) 1.992 6.788 ( 2.845 1.896 -0.087) 3.420 7.511 ( -0.520 2.346 0.500) 2.454 7.672 ( -0.567 5.977 0.772) 6.054 ======================= Grid point 802 (376/477) ======================= q-point: ( 0.21 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -2.330 -9.356 7.703) 12.341 1.735 ( 3.780 -13.133 -9.352) 16.560 2.089 ( -5.172 -6.426 13.949) 16.206 2.415 ( 3.401 -14.193 -7.636) 16.472 3.229 ( -3.986 -21.100 5.428) 22.149 3.818 ( 5.678 -3.859 -9.027) 11.341 4.732 ( 0.572 6.286 0.050) 6.313 5.095 ( 0.017 -6.166 0.865) 6.227 5.270 ( -0.115 10.166 0.145) 10.168 5.603 ( -1.190 -2.149 3.694) 4.436 5.944 ( 0.867 5.507 0.467) 5.594 5.975 ( 0.404 -1.361 -1.367) 1.971 6.267 ( 0.107 3.470 -0.320) 3.486 6.498 ( -2.835 1.122 0.834) 3.161 6.717 ( -0.153 0.815 -0.660) 1.059 6.760 ( 2.279 2.380 0.929) 3.424 7.437 ( -0.445 4.797 0.686) 4.866 7.554 ( -0.043 5.808 -0.083) 5.809 ======================= Grid point 804 (377/477) ======================= q-point: ( 0.29 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.808 -15.133 4.793) 15.894 2.045 ( -0.921 -17.438 1.874) 17.562 2.277 ( 1.501 -11.049 4.741) 12.116 2.698 ( 2.553 -13.996 -3.746) 14.712 3.614 ( -6.538 -16.677 8.967) 20.032 3.934 ( 6.647 -8.775 -8.416) 13.857 4.633 ( 2.353 4.064 -0.930) 4.787 5.077 ( 0.225 4.698 -0.924) 4.793 5.225 ( -0.141 -1.075 3.244) 3.421 5.622 ( -0.120 0.512 2.976) 3.022 5.840 ( 0.883 4.476 -0.315) 4.574 6.037 ( 1.183 -4.701 0.006) 4.848 6.222 ( -0.037 1.172 0.009) 1.172 6.468 ( -3.021 0.545 0.637) 3.135 6.702 ( 0.015 1.001 0.535) 1.135 6.729 ( 2.171 2.422 0.928) 3.383 7.338 ( -0.013 5.123 0.754) 5.178 7.449 ( 0.081 4.835 -0.380) 4.851 ======================= Grid point 805 (378/477) ======================= q-point: ( 0.36 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 1.911 -18.806 4.452) 19.420 2.358 ( -2.808 -13.686 8.017) 16.108 2.542 ( 4.718 -12.282 -2.065) 13.318 2.929 ( 2.136 -8.333 -1.518) 8.735 3.816 ( -5.526 -7.486 6.185) 11.172 4.191 ( 4.018 -12.711 -1.463) 13.411 4.603 ( 3.947 0.453 -1.831) 4.374 5.029 ( 0.884 0.733 0.019) 1.148 5.183 ( -0.771 5.175 2.230) 5.687 5.595 ( 2.019 3.599 -1.537) 4.404 5.851 ( -0.374 -6.154 2.202) 6.547 6.140 ( 1.349 -3.659 0.511) 3.933 6.241 ( 0.143 -3.857 1.007) 3.989 6.444 ( -2.858 0.301 0.273) 2.887 6.663 ( -1.158 3.473 3.307) 4.934 6.701 ( 3.246 2.039 -1.250) 4.032 7.255 ( 0.195 3.495 0.844) 3.601 7.362 ( 0.272 4.040 -0.572) 4.089 ======================= Grid point 806 (379/477) ======================= q-point: ( 0.43 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 1.330 -16.913 3.764) 17.377 2.604 ( -1.700 -10.584 5.886) 12.229 2.728 ( 2.615 -4.731 -1.976) 5.756 3.006 ( 1.397 1.442 -0.978) 2.234 3.971 ( -3.384 -9.978 5.077) 11.696 4.343 ( 0.927 -0.406 0.751) 1.260 4.645 ( 4.369 -2.875 -2.144) 5.652 4.953 ( -0.323 7.550 -0.845) 7.604 5.182 ( 1.628 -5.529 0.306) 5.772 5.519 ( 1.014 4.006 -2.115) 4.642 6.029 ( -0.521 -9.525 2.234) 9.798 6.189 ( 1.193 -0.944 0.056) 1.522 6.351 ( -1.107 -4.991 2.024) 5.498 6.439 ( -1.013 -1.920 -1.191) 2.476 6.581 ( -1.329 5.113 4.171) 6.731 6.669 ( 2.878 2.513 -1.906) 4.270 7.215 ( 0.068 0.927 0.834) 1.249 7.294 ( 0.617 2.879 -0.985) 3.105 ======================= Grid point 807 (380/477) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -0.677 -2.199 1.387) 2.686 2.703 ( -2.071 0.100 2.721) 3.421 2.842 ( 0.939 -2.849 -1.512) 3.359 2.912 ( 0.646 2.091 -0.496) 2.244 4.160 ( -0.753 -4.211 2.250) 4.833 4.271 ( -1.314 2.441 1.237) 3.036 4.719 ( 2.328 -0.894 -2.458) 3.501 4.836 ( 0.491 0.724 -2.235) 2.400 5.296 ( 0.829 -2.340 -1.886) 3.118 5.453 ( 0.858 1.206 -1.255) 1.940 6.166 ( -0.367 -1.373 0.892) 1.678 6.179 ( -0.556 1.152 0.754) 1.484 6.401 ( -0.749 -1.659 1.154) 2.156 6.462 ( -0.864 3.232 1.722) 3.763 6.551 ( 0.766 -4.883 -1.248) 5.098 6.631 ( 0.603 1.543 -1.165) 2.025 7.221 ( -0.218 -1.198 0.289) 1.251 7.257 ( 0.759 0.751 -1.273) 1.662 ======================= Grid point 808 (381/477) ======================= q-point: (-0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -2.909 14.534 -2.024) 14.960 2.653 ( -5.221 8.861 4.343) 11.165 2.707 ( 1.709 5.643 -3.392) 6.802 3.026 ( 0.692 -3.560 -2.955) 4.678 4.032 ( 1.005 9.084 -1.272) 9.228 4.338 ( -2.505 -0.933 1.266) 2.958 4.661 ( -0.777 3.180 -3.525) 4.811 4.955 ( 1.101 -9.510 -0.771) 9.604 5.226 ( -0.351 5.266 -4.481) 6.924 5.506 ( 1.175 -4.244 -0.836) 4.482 6.043 ( -1.205 8.824 0.775) 8.939 6.186 ( -1.171 0.787 0.057) 1.412 6.386 ( -0.632 4.223 -0.600) 4.312 6.431 ( 2.876 -0.372 -0.777) 3.002 6.625 ( -3.050 -1.816 2.289) 4.224 6.658 ( 0.387 -5.255 -3.571) 6.365 7.240 ( 0.003 -1.309 -1.762) 2.195 7.282 ( 0.139 -2.968 0.173) 2.976 ======================= Grid point 809 (382/477) ======================= q-point: (-0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -3.605 18.378 -3.871) 19.124 2.443 ( -7.187 10.085 6.899) 14.175 2.507 ( 1.241 14.737 -6.096) 15.996 2.979 ( 1.121 7.180 -6.176) 9.536 3.894 ( 1.988 5.445 -1.354) 5.953 4.188 ( -3.060 14.664 -1.417) 15.047 4.609 ( -1.329 0.117 -2.411) 2.755 5.077 ( 0.354 -0.810 -4.480) 4.566 5.210 ( -0.742 -6.627 -0.478) 6.685 5.592 ( 0.218 -4.448 -1.761) 4.789 5.873 ( -1.337 6.320 0.059) 6.460 6.152 ( -1.001 2.293 -0.641) 2.583 6.280 ( -0.662 4.752 -2.611) 5.462 6.452 ( 3.620 -0.225 -0.746) 3.703 6.661 ( -4.042 -2.669 2.731) 5.560 6.731 ( -0.091 -3.314 -3.450) 4.784 7.278 ( -0.315 -3.286 -1.562) 3.652 7.354 ( 0.090 -3.975 0.362) 3.992 ======================= Grid point 810 (383/477) ======================= q-point: (-0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -4.419 17.070 -1.591) 17.704 2.138 ( 1.474 19.851 -7.717) 21.349 2.239 ( -7.669 9.035 8.591) 14.638 2.751 ( 2.627 13.749 -8.403) 16.326 3.771 ( -6.483 21.048 3.796) 22.348 3.826 ( 6.855 5.859 -8.069) 12.101 4.630 ( -1.203 -3.464 -0.610) 3.718 5.100 ( 1.198 -3.521 -3.204) 4.909 5.277 ( -2.359 0.258 -1.723) 2.933 5.660 ( -1.437 -3.010 -1.174) 3.536 5.839 ( -0.683 -3.511 -0.154) 3.580 6.053 ( -0.916 6.099 -1.671) 6.390 6.234 ( 0.040 -0.717 -1.210) 1.407 6.478 ( 3.371 -0.580 -0.475) 3.453 6.691 ( -3.221 -1.801 1.616) 4.029 6.768 ( -0.755 -1.925 -2.943) 3.597 7.352 ( -0.512 -4.761 -0.712) 4.841 7.438 ( 0.131 -4.532 0.751) 4.596 ======================= Grid point 811 (384/477) ======================= q-point: (-0.21 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -5.604 12.088 6.111) 14.658 1.763 ( 5.458 15.994 -10.804) 20.059 2.073 ( -9.046 6.694 13.439) 17.528 2.462 ( 4.586 13.850 -10.482) 17.965 3.291 ( -2.686 23.437 0.670) 23.600 3.768 ( 5.003 3.068 -5.223) 7.857 4.719 ( -0.755 -5.723 1.281) 5.913 5.132 ( -0.149 5.029 -3.082) 5.900 5.276 ( -0.379 -7.738 -0.254) 7.751 5.656 ( -2.753 2.580 -1.169) 3.950 5.940 ( -1.516 -4.651 1.073) 5.008 5.962 ( 1.289 0.852 -0.604) 1.659 6.269 ( 0.156 -2.942 -0.511) 2.990 6.513 ( 2.869 -1.559 -0.927) 3.394 6.709 ( -1.484 -1.246 0.516) 2.005 6.785 ( -1.616 -1.452 -1.928) 2.905 7.442 ( -0.343 -4.369 0.238) 4.389 7.540 ( 0.127 -5.582 1.294) 5.732 ======================= Grid point 812 (385/477) ======================= q-point: (-0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -6.801 4.099 14.410) 16.452 1.544 ( 8.328 6.927 -10.651) 15.191 1.938 ( -6.838 8.327 14.188) 17.816 2.249 ( 4.392 5.720 -9.856) 12.213 2.864 ( -1.610 19.170 2.259) 19.369 3.728 ( 5.344 2.049 -6.605) 8.740 4.831 ( -0.379 -4.607 2.759) 5.383 4.963 ( -1.327 8.919 -1.763) 9.187 5.493 ( 0.266 -11.223 1.515) 11.327 5.541 ( -0.903 6.165 0.087) 6.231 5.952 ( 1.545 -0.148 -0.439) 1.613 6.041 ( -1.758 -4.363 0.576) 4.739 6.360 ( 0.245 -6.523 0.468) 6.544 6.563 ( 1.911 -2.400 -1.495) 3.413 6.734 ( 0.567 -1.516 0.292) 1.645 6.796 ( -1.953 -1.047 -0.878) 2.383 7.507 ( 0.032 -1.951 0.896) 2.147 7.662 ( 0.027 -6.033 1.821) 6.302 ======================= Grid point 813 (386/477) ======================= q-point: (-0.07 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -6.972 -1.442 15.585) 17.134 1.489 ( 4.290 1.554 -2.619) 5.261 1.764 ( 2.215 8.809 0.183) 9.085 2.234 ( 1.206 -3.110 -1.738) 3.761 2.550 ( -2.200 13.005 4.797) 14.035 3.708 ( 5.597 0.864 -7.857) 9.685 4.771 ( -0.671 7.181 0.777) 7.254 4.928 ( -1.132 -2.834 2.841) 4.169 5.399 ( -0.482 6.220 1.757) 6.482 5.705 ( 0.234 -7.553 1.125) 7.640 5.963 ( 1.021 -0.553 -1.832) 2.169 6.103 ( -0.900 -2.621 0.263) 2.784 6.511 ( 0.428 -7.467 1.029) 7.549 6.612 ( 0.664 -1.961 -1.061) 2.327 6.770 ( 1.326 -0.804 0.396) 1.601 6.798 ( -0.805 -0.594 -0.121) 1.008 7.523 ( 0.292 0.433 1.005) 1.133 7.771 ( -0.373 -4.181 2.064) 4.677 ======================= Grid point 815 (387/477) ======================= q-point: ( 0.07 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -5.718 0.000 11.415) 12.767 1.486 ( -4.131 0.000 7.280) 8.370 1.701 ( 8.300 -0.000 -15.918) 17.952 2.316 ( 3.691 -0.000 -8.115) 8.915 2.376 ( -8.348 0.000 13.459) 15.838 3.713 ( 5.661 -0.000 -9.491) 11.051 4.697 ( -0.480 0.000 1.269) 1.357 4.966 ( -0.957 0.000 2.271) 2.465 5.336 ( -0.929 0.000 0.979) 1.350 5.781 ( -0.837 0.000 1.179) 1.446 5.954 ( -0.780 0.000 -1.430) 1.629 6.136 ( 1.358 -0.000 -0.207) 1.374 6.594 ( -4.345 0.000 1.854) 4.724 6.612 ( 0.002 -0.000 -0.650) 0.650 6.796 ( 4.200 -0.000 -2.679) 4.981 6.822 ( -0.118 0.000 0.109) 0.161 7.520 ( -0.368 0.000 -0.004) 0.368 7.813 ( -1.785 0.000 1.776) 2.518 ======================= Grid point 816 (388/477) ======================= q-point: ( 0.14 0.07 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -6.157 1.270 11.576) 13.173 1.513 ( 2.760 -1.850 -6.555) 7.349 1.769 ( -0.293 -8.079 -2.980) 8.616 2.221 ( -0.592 3.969 -1.102) 4.162 2.542 ( -3.368 -12.728 3.875) 13.725 3.723 ( 5.519 -1.066 -9.833) 11.326 4.770 ( -0.442 -6.760 1.106) 6.864 4.938 ( -0.557 2.889 1.897) 3.500 5.397 ( -1.292 -5.915 1.241) 6.180 5.708 ( -0.606 7.315 -0.145) 7.341 5.940 ( -1.327 0.173 -0.683) 1.502 6.117 ( 1.564 2.647 0.428) 3.104 6.514 ( -0.762 6.715 0.081) 6.758 6.570 ( -3.243 2.065 0.428) 3.869 6.783 ( 0.072 2.499 -1.065) 2.717 6.823 ( 3.228 0.061 -1.224) 3.453 7.525 ( -0.688 -0.345 -0.093) 0.775 7.768 ( -1.621 3.848 1.204) 4.346 ======================= Grid point 818 (389/477) ======================= q-point: ( 0.21 0.07 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -5.110 -3.873 11.073) 12.795 1.552 ( 6.386 -4.641 -16.148) 17.974 1.958 ( -8.647 -9.951 15.053) 20.009 2.204 ( 3.676 -4.508 -7.840) 9.762 2.838 ( -3.120 -18.098 3.736) 18.741 3.757 ( 5.263 -2.526 -9.983) 11.565 4.845 ( -0.513 4.229 0.345) 4.273 4.950 ( 0.564 -7.925 2.254) 8.259 5.490 ( -1.514 8.178 1.193) 8.402 5.536 ( -0.100 -2.100 0.488) 2.158 5.937 ( -1.429 -0.955 -0.917) 1.948 6.059 ( 1.597 4.432 1.029) 4.822 6.369 ( 0.319 6.909 -0.796) 6.962 6.513 ( -3.667 1.889 1.053) 4.257 6.737 ( 0.103 1.634 -0.454) 1.699 6.819 ( 2.812 1.808 -0.231) 3.351 7.506 ( -0.825 2.140 0.359) 2.322 7.667 ( -0.762 5.695 0.132) 5.747 ======================= Grid point 819 (390/477) ======================= q-point: ( 0.29 0.07 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -1.074 -10.036 7.672) 12.679 1.720 ( 3.270 -14.234 -7.622) 16.474 2.122 ( -4.589 -7.543 13.572) 16.192 2.408 ( 3.615 -14.772 -6.942) 16.718 3.224 ( -3.908 -21.192 6.926) 22.635 3.819 ( 5.095 -4.335 -9.930) 11.974 4.741 ( 1.335 5.715 -0.326) 5.878 5.106 ( 0.342 -5.088 1.637) 5.356 5.271 ( -0.122 8.596 0.515) 8.613 5.623 ( -0.566 -2.249 5.346) 5.828 5.950 ( -0.361 1.626 -0.360) 1.704 5.976 ( 1.589 1.780 -1.015) 2.593 6.266 ( 0.071 3.551 -0.229) 3.559 6.467 ( -3.280 0.993 0.671) 3.492 6.719 ( 0.609 0.639 0.589) 1.062 6.791 ( 2.225 2.439 0.735) 3.382 7.437 ( -0.503 4.468 0.888) 4.583 7.551 ( -0.104 5.670 -0.552) 5.698 ======================= Grid point 820 (391/477) ======================= q-point: ( 0.36 0.07 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 2.051 -15.527 5.793) 16.699 2.056 ( -0.370 -18.067 3.828) 18.472 2.325 ( 1.841 -11.271 4.112) 12.138 2.707 ( 2.721 -14.543 -2.632) 15.028 3.604 ( -5.847 -15.281 9.834) 19.089 3.952 ( 5.788 -10.715 -7.878) 14.505 4.659 ( 3.366 3.483 -1.207) 4.992 5.074 ( 0.130 3.979 -0.419) 4.004 5.251 ( 0.304 -0.215 4.525) 4.540 5.645 ( 0.366 0.756 3.339) 3.443 5.847 ( 0.891 4.746 -0.586) 4.864 6.053 ( 1.161 -5.598 0.719) 5.762 6.223 ( -0.051 0.953 0.468) 1.063 6.438 ( -2.670 0.519 0.096) 2.722 6.711 ( 0.011 1.256 2.193) 2.528 6.759 ( 2.433 2.309 0.409) 3.379 7.344 ( 0.067 4.918 1.110) 5.042 7.447 ( 0.039 4.757 -0.588) 4.793 ======================= Grid point 821 (392/477) ======================= q-point: ( 0.43 0.07 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 2.726 -18.225 5.398) 19.202 2.383 ( -2.134 -13.704 8.303) 16.164 2.581 ( 4.229 -11.256 -1.972) 12.185 2.948 ( 2.411 -8.227 -0.561) 8.591 3.798 ( -4.589 -7.748 6.330) 11.007 4.227 ( 3.236 -12.322 -0.371) 12.745 4.640 ( 4.752 0.339 -2.029) 5.179 5.042 ( 0.879 0.374 0.941) 1.341 5.191 ( -0.543 6.031 2.612) 6.594 5.607 ( 1.986 4.434 -1.968) 5.242 5.864 ( -0.042 -6.446 2.378) 6.871 6.158 ( 0.925 -3.120 0.790) 3.349 6.253 ( 0.222 -4.202 2.009) 4.663 6.417 ( -1.839 0.172 -0.419) 1.894 6.672 ( -1.302 3.442 4.110) 5.517 6.730 ( 3.198 2.349 -1.137) 4.128 7.264 ( 0.314 3.558 1.186) 3.764 7.362 ( 0.232 3.917 -0.625) 3.973 ======================= Grid point 822 (393/477) ======================= q-point: ( 0.50 0.07 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 1.856 -15.438 4.142) 16.092 2.622 ( -1.793 -9.264 5.713) 11.031 2.743 ( 1.978 -4.300 -1.517) 4.970 3.018 ( 1.649 2.448 -0.807) 3.060 3.970 ( -2.349 -10.575 4.971) 11.919 4.356 ( 0.300 0.858 1.259) 1.553 4.684 ( 4.845 -2.548 -2.195) 5.898 4.942 ( -0.855 8.870 -0.717) 8.940 5.208 ( 2.188 -5.840 0.928) 6.305 5.514 ( 0.746 4.589 -2.465) 5.262 6.038 ( -0.323 -8.839 2.083) 9.087 6.202 ( 0.882 -0.922 0.302) 1.312 6.351 ( -1.515 -3.641 2.500) 4.669 6.425 ( 0.219 -2.720 -1.655) 3.191 6.593 ( -1.427 4.966 4.631) 6.939 6.689 ( 2.662 3.201 -1.910) 4.580 7.222 ( 0.179 1.221 1.064) 1.630 7.294 ( 0.556 2.864 -1.043) 3.099 ======================= Grid point 823 (394/477) ======================= q-point: (-0.43 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -0.541 1.754 1.394) 2.304 2.694 ( -2.716 -1.327 3.093) 4.325 2.844 ( 1.126 2.239 -1.471) 2.906 2.916 ( 0.757 -0.761 -0.952) 1.435 4.172 ( 0.581 -4.184 1.664) 4.540 4.260 ( -2.472 3.361 1.901) 4.585 4.726 ( 2.045 3.293 -3.439) 5.182 4.830 ( 0.619 -2.346 -1.386) 2.794 5.296 ( 1.149 1.061 -1.666) 2.285 5.453 ( 0.633 -0.550 -1.388) 1.622 6.163 ( -0.847 -3.200 0.620) 3.368 6.181 ( -0.198 4.369 1.036) 4.495 6.402 ( -0.462 -2.594 1.269) 2.924 6.463 ( -0.917 2.082 1.537) 2.746 6.552 ( 0.765 -3.157 -1.248) 3.480 6.630 ( 0.510 2.832 -1.135) 3.093 7.221 ( -0.133 -0.517 0.336) 0.631 7.256 ( 0.673 0.576 -1.304) 1.576 ======================= Grid point 824 (395/477) ======================= q-point: (-0.36 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -2.717 16.077 -1.686) 16.391 2.621 ( -5.098 9.609 4.234) 11.673 2.703 ( 1.539 6.281 -3.726) 7.464 3.015 ( 0.843 -2.302 -2.997) 3.872 4.034 ( 0.473 8.749 -0.776) 8.796 4.318 ( -2.263 0.260 1.077) 2.520 4.631 ( -0.253 3.587 -3.785) 5.220 4.960 ( 0.828 -8.391 -0.789) 8.468 5.197 ( -0.026 5.053 -3.863) 6.360 5.511 ( 0.925 -3.622 -1.082) 3.892 6.034 ( -1.313 9.475 0.978) 9.615 6.174 ( -0.882 0.811 -0.218) 1.218 6.374 ( -0.557 5.195 -0.799) 5.285 6.461 ( 3.011 -1.096 -0.472) 3.239 6.600 ( -3.562 -1.411 1.861) 4.260 6.642 ( 0.524 -4.609 -2.940) 5.492 7.229 ( -0.104 -1.037 -1.455) 1.790 7.285 ( 0.275 -2.952 -0.115) 2.967 ======================= Grid point 825 (396/477) ======================= q-point: (-0.29 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -3.160 18.897 -3.211) 19.427 2.406 ( -7.149 10.406 7.098) 14.483 2.484 ( 1.851 15.312 -6.350) 16.680 2.953 ( 1.266 7.551 -5.894) 9.662 3.903 ( 0.368 5.005 -0.071) 5.019 4.148 ( -1.715 15.266 -2.205) 15.519 4.583 ( -0.550 -0.141 -2.427) 2.492 5.053 ( 0.288 -1.051 -3.950) 4.098 5.199 ( -0.731 -5.698 -0.264) 5.751 5.583 ( 0.172 -3.744 -1.724) 4.125 5.860 ( -1.312 6.170 0.391) 6.320 6.135 ( -0.787 2.959 -1.147) 3.269 6.259 ( -0.427 4.395 -2.014) 4.854 6.487 ( 3.156 -0.207 -0.649) 3.229 6.635 ( -3.626 -2.770 2.804) 5.356 6.709 ( -0.229 -3.019 -2.925) 4.209 7.265 ( -0.331 -3.290 -1.266) 3.541 7.357 ( 0.206 -4.082 0.130) 4.089 ======================= Grid point 826 (397/477) ======================= q-point: (-0.21 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -3.571 16.232 -0.393) 16.625 2.106 ( 0.779 18.904 -6.190) 19.907 2.214 ( -5.702 9.308 7.601) 13.301 2.728 ( 2.436 13.424 -7.809) 15.720 3.720 ( -6.764 20.463 4.255) 21.968 3.854 ( 7.001 5.663 -7.980) 12.032 4.617 ( -0.388 -4.058 -0.663) 4.131 5.093 ( 0.853 -4.495 -2.671) 5.298 5.243 ( -1.889 1.162 -1.130) 2.489 5.636 ( -1.653 -2.111 -0.710) 2.774 5.832 ( -0.481 -3.507 0.002) 3.540 6.035 ( -0.354 5.054 -1.482) 5.279 6.228 ( 0.106 -1.072 -0.881) 1.392 6.506 ( 1.897 -0.469 -0.415) 1.998 6.673 ( -1.846 -1.976 1.913) 3.312 6.742 ( -0.858 -1.671 -2.445) 3.083 7.343 ( -0.435 -5.006 -0.462) 5.046 7.444 ( 0.171 -4.696 0.477) 4.723 ======================= Grid point 827 (398/477) ======================= q-point: (-0.14 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -4.671 10.396 6.940) 13.344 1.758 ( 5.527 14.425 -10.573) 18.719 2.062 ( -8.128 5.836 13.577) 16.866 2.445 ( 3.938 13.625 -9.803) 17.241 3.266 ( -3.288 22.277 2.079) 22.614 3.790 ( 5.415 3.239 -6.532) 9.082 4.722 ( -0.208 -6.275 0.998) 6.358 5.110 ( -0.531 6.222 -2.129) 6.597 5.272 ( -0.134 -9.817 -0.085) 9.818 5.622 ( -2.419 2.386 0.030) 3.398 5.932 ( -0.709 -5.519 0.672) 5.605 5.972 ( 1.010 1.086 -0.521) 1.572 6.268 ( 0.173 -3.129 -0.377) 3.157 6.528 ( 0.525 -1.354 -0.625) 1.581 6.708 ( 0.429 -1.725 1.083) 2.082 6.756 ( -1.511 -1.316 -1.783) 2.682 7.440 ( -0.361 -4.742 0.357) 4.769 7.548 ( 0.078 -5.768 0.866) 5.833 ======================= Grid point 828 (399/477) ======================= q-point: (-0.07 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -6.310 3.281 13.285) 15.069 1.567 ( 8.052 5.727 -11.771) 15.368 1.949 ( -7.344 7.551 14.446) 17.878 2.233 ( 3.786 5.223 -9.496) 11.480 2.859 ( -2.158 18.356 2.615) 18.666 3.744 ( 5.547 2.214 -7.703) 9.747 4.844 ( -0.297 -5.362 2.204) 5.805 4.941 ( -0.998 9.099 -0.732) 9.183 5.499 ( -1.156 -8.263 2.089) 8.601 5.536 ( 0.121 1.821 -0.366) 1.861 5.960 ( 0.506 0.377 -0.688) 0.933 6.032 ( -0.472 -4.290 0.668) 4.368 6.365 ( 0.288 -6.895 0.193) 6.904 6.562 ( -0.713 -2.385 -0.525) 2.544 6.751 ( 1.448 -1.671 0.285) 2.229 6.771 ( -0.772 -1.539 -1.020) 2.002 7.511 ( -0.209 -2.276 0.710) 2.393 7.670 ( -0.307 -6.104 1.323) 6.254 ======================= Grid point 832 (400/477) ======================= q-point: ( 0.14 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -5.738 0.000 9.876) 11.422 1.480 ( -4.623 0.000 6.367) 7.868 1.673 ( 6.655 -0.000 -19.114) 20.239 2.295 ( 2.628 -0.000 -9.619) 9.972 2.366 ( -8.599 0.000 13.641) 16.125 3.711 ( 5.278 -0.000 -10.491) 11.743 4.700 ( -0.309 0.000 1.122) 1.164 4.970 ( -0.568 0.000 1.832) 1.918 5.327 ( -1.441 0.000 0.395) 1.494 5.776 ( -0.936 0.000 0.288) 0.979 5.933 ( -1.820 0.000 -0.349) 1.853 6.155 ( 2.164 -0.000 0.027) 2.164 6.555 ( -4.742 0.000 2.414) 5.321 6.601 ( -0.627 0.000 -1.696) 1.808 6.816 ( -0.471 0.000 -0.888) 1.006 6.826 ( 4.138 -0.000 -3.057) 5.145 7.510 ( -0.944 0.000 -0.562) 1.098 7.800 ( -2.316 0.000 1.203) 2.609 ======================= Grid point 833 (401/477) ======================= q-point: ( 0.21 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -6.313 0.967 10.059) 11.916 1.491 ( 2.833 -1.021 -10.369) 10.797 1.736 ( -2.323 -9.271 -2.324) 9.836 2.204 ( -0.526 3.278 -1.971) 3.861 2.526 ( -4.066 -12.838 4.269) 14.127 3.717 ( 4.928 -1.150 -10.804) 11.931 4.773 ( -0.281 -6.609 1.251) 6.732 4.946 ( 0.031 2.519 1.596) 2.982 5.388 ( -1.547 -6.443 1.054) 6.709 5.695 ( -0.857 7.627 -1.387) 7.800 5.919 ( -2.076 0.114 0.129) 2.083 6.142 ( 2.150 2.602 0.748) 3.457 6.502 ( -1.559 5.279 0.219) 5.509 6.535 ( -3.108 2.888 -0.158) 4.245 6.777 ( 0.046 2.351 -1.136) 2.611 6.849 ( 2.995 -0.196 -1.772) 3.486 7.512 ( -1.129 -0.536 -0.410) 1.316 7.753 ( -1.954 3.520 0.460) 4.052 ======================= Grid point 834 (402/477) ======================= q-point: ( 0.29 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -4.816 -5.265 10.373) 12.590 1.515 ( 5.992 -5.332 -17.102) 18.889 1.952 ( -9.038 -12.268 14.376) 20.949 2.199 ( 3.907 -4.528 -7.193) 9.354 2.827 ( -3.296 -18.692 4.454) 19.496 3.745 ( 4.464 -2.662 -10.863) 12.043 4.846 ( 0.252 3.367 0.359) 3.395 4.973 ( 0.699 -7.556 2.547) 8.004 5.476 ( -1.220 10.321 -0.838) 10.427 5.543 ( -0.326 -5.996 2.401) 6.467 5.911 ( -2.005 -0.804 -0.964) 2.365 6.087 ( 1.919 4.657 1.280) 5.197 6.366 ( 0.278 6.571 -1.193) 6.684 6.475 ( -3.984 1.661 0.888) 4.407 6.742 ( 0.740 1.160 0.320) 1.413 6.847 ( 2.374 1.586 -0.397) 2.882 7.497 ( -1.041 1.718 0.354) 2.040 7.656 ( -0.922 5.277 -0.547) 5.384 ======================= Grid point 835 (403/477) ======================= q-point: ( 0.36 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.143 -11.281 7.450) 13.520 1.715 ( 3.344 -16.180 -5.598) 17.445 2.154 ( -4.878 -8.928 13.014) 16.518 2.408 ( 4.126 -15.352 -6.857) 17.313 3.230 ( -3.584 -21.658 8.175) 23.425 3.806 ( 4.229 -4.968 -10.608) 12.454 4.758 ( 2.074 5.052 -0.467) 5.482 5.121 ( 0.515 -3.250 1.389) 3.572 5.275 ( -0.072 5.712 1.232) 5.843 5.657 ( -0.147 -2.181 6.313) 6.681 5.936 ( -1.050 -2.313 -1.055) 2.751 5.992 ( 1.843 4.726 -0.632) 5.112 6.267 ( 0.113 3.485 -0.008) 3.487 6.434 ( -3.020 0.688 0.031) 3.097 6.737 ( 0.979 0.564 1.854) 2.171 6.819 ( 2.047 2.336 0.516) 3.148 7.437 ( -0.559 3.992 1.103) 4.179 7.545 ( -0.171 5.411 -0.955) 5.497 ======================= Grid point 836 (404/477) ======================= q-point: ( 0.43 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 2.634 -16.062 6.042) 17.362 2.084 ( 0.027 -18.546 5.139) 19.245 2.368 ( 1.444 -11.491 3.196) 12.014 2.725 ( 2.921 -15.219 -2.031) 15.630 3.606 ( -4.885 -13.775 10.039) 17.731 3.964 ( 4.758 -13.112 -7.231) 15.712 4.692 ( 3.857 2.885 -1.444) 5.028 5.075 ( 0.284 3.199 -0.100) 3.213 5.287 ( 0.346 0.610 5.258) 5.305 5.671 ( 0.664 1.345 2.747) 3.130 5.852 ( 0.738 4.688 -0.746) 4.804 6.070 ( 0.654 -6.447 1.341) 6.617 6.228 ( 0.112 0.611 1.029) 1.202 6.411 ( -1.807 0.270 -0.659) 1.942 6.729 ( -0.182 1.699 3.540) 3.931 6.789 ( 2.566 2.173 -0.062) 3.363 7.353 ( 0.067 4.634 1.362) 4.830 7.443 ( 0.011 4.619 -0.731) 4.676 ======================= Grid point 837 (405/477) ======================= q-point: ( 0.50 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 2.870 -17.653 5.391) 18.680 2.414 ( -1.896 -13.355 8.344) 15.861 2.610 ( 3.214 -10.324 -2.348) 11.065 2.975 ( 2.610 -8.095 -0.117) 8.506 3.793 ( -3.279 -7.974 5.898) 10.446 4.258 ( 2.234 -11.998 0.358) 12.209 4.681 ( 4.808 0.181 -2.228) 5.302 5.060 ( 0.862 0.184 1.543) 1.777 5.203 ( -0.380 6.795 2.582) 7.279 5.614 ( 1.809 5.273 -2.498) 6.109 5.880 ( 0.178 -6.727 2.337) 7.124 6.170 ( 0.259 -2.753 0.763) 2.869 6.271 ( 0.089 -4.151 2.952) 5.094 6.398 ( -0.486 -0.165 -1.275) 1.375 6.686 ( -1.370 3.605 4.809) 6.164 6.758 ( 2.941 2.636 -1.275) 4.150 7.276 ( 0.363 3.585 1.330) 3.841 7.360 ( 0.183 3.790 -0.636) 3.847 ======================= Grid point 838 (406/477) ======================= q-point: ( 0.57 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 1.923 -14.131 3.969) 14.803 2.635 ( -1.959 -7.288 5.175) 9.150 2.753 ( 1.184 -4.711 -1.001) 4.960 3.032 ( 1.699 3.698 -0.949) 4.179 3.980 ( -1.272 -11.031 4.363) 11.930 4.365 ( -0.253 2.012 1.563) 2.560 4.724 ( 4.642 -2.395 -2.279) 5.699 4.926 ( -1.169 10.349 -0.660) 10.435 5.242 ( 2.557 -6.179 1.272) 6.807 5.504 ( 0.455 5.302 -2.849) 6.036 6.047 ( -0.260 -8.072 1.823) 8.279 6.212 ( 0.436 -1.052 0.478) 1.235 6.350 ( -1.381 -2.722 2.422) 3.897 6.421 ( 0.841 -2.828 -1.739) 3.425 6.607 ( -1.333 4.879 4.757) 6.943 6.704 ( 2.264 3.865 -2.002) 4.906 7.232 ( 0.283 1.502 1.106) 1.886 7.293 ( 0.444 2.892 -1.066) 3.114 ======================= Grid point 839 (407/477) ======================= q-point: (-0.36 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -0.861 5.706 1.807) 6.047 2.684 ( -2.247 -2.645 2.986) 4.579 2.847 ( 0.990 6.675 -1.542) 6.922 2.917 ( 0.690 -3.447 -1.221) 3.722 4.193 ( 1.530 -4.615 1.144) 4.995 4.241 ( -3.296 4.897 2.431) 6.384 4.721 ( 1.273 6.549 -3.794) 7.675 4.833 ( 1.224 -4.675 -1.068) 4.949 5.300 ( 1.377 4.414 -1.531) 4.870 5.450 ( 0.452 -2.354 -1.434) 2.793 6.157 ( -0.798 -2.603 0.551) 2.778 6.185 ( -0.262 4.925 1.077) 5.048 6.406 ( -0.344 -3.115 1.392) 3.429 6.461 ( -1.000 0.587 1.426) 1.838 6.553 ( 0.769 -0.762 -1.340) 1.723 6.628 ( 0.496 3.560 -1.073) 3.751 7.222 ( -0.056 0.269 0.337) 0.435 7.255 ( 0.598 0.284 -1.288) 1.448 ======================= Grid point 840 (408/477) ======================= q-point: (-0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -2.216 17.515 -0.823) 17.674 2.594 ( -4.496 10.250 4.552) 12.083 2.696 ( 1.682 6.861 -3.957) 8.097 3.007 ( 0.957 -1.302 -2.824) 3.254 4.031 ( -0.916 8.545 0.446) 8.605 4.304 ( -1.149 1.395 0.623) 1.912 4.608 ( 0.389 3.723 -3.621) 5.208 4.964 ( 0.706 -7.256 -0.954) 7.352 5.177 ( 0.262 4.890 -2.960) 5.723 5.514 ( 0.863 -3.200 -1.294) 3.558 6.026 ( -1.360 9.959 1.317) 10.137 6.165 ( -0.333 0.953 -0.459) 1.109 6.364 ( -0.498 6.023 -0.627) 6.076 6.492 ( 2.732 -1.695 -0.247) 3.225 6.570 ( -3.642 -1.627 1.607) 4.301 6.632 ( 0.630 -3.567 -2.237) 4.258 7.220 ( -0.150 -0.774 -1.038) 1.303 7.287 ( 0.397 -2.969 -0.361) 3.017 ======================= Grid point 841 (409/477) ======================= q-point: (-0.21 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -2.202 19.276 -1.676) 19.474 2.373 ( -6.536 11.221 7.156) 14.827 2.472 ( 2.862 15.117 -5.594) 16.371 2.933 ( 1.450 7.961 -5.125) 9.578 3.898 ( -2.537 5.291 2.097) 6.231 4.126 ( 1.050 15.090 -3.136) 15.448 4.567 ( 0.375 -0.381 -2.234) 2.298 5.034 ( 0.420 -1.155 -3.088) 3.323 5.190 ( -0.793 -4.966 0.205) 5.033 5.575 ( 0.516 -3.135 -1.634) 3.573 5.849 ( -1.211 6.043 0.870) 6.225 6.122 ( -0.174 3.604 -1.248) 3.818 6.245 ( -0.226 3.915 -1.216) 4.106 6.510 ( 0.917 0.061 -0.205) 0.942 6.620 ( -1.653 -3.250 2.511) 4.427 6.690 ( -0.208 -2.647 -2.213) 3.456 7.255 ( -0.263 -3.310 -0.792) 3.413 7.360 ( 0.277 -4.155 -0.106) 4.166 ======================= Grid point 842 (410/477) ======================= q-point: (-0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -2.298 15.481 1.337) 15.707 2.077 ( -0.582 17.625 -3.382) 17.956 2.211 ( -2.475 10.157 6.159) 12.133 2.709 ( 2.371 13.394 -6.649) 15.141 3.674 ( -7.031 19.251 5.849) 21.313 3.882 ( 7.259 6.321 -8.451) 12.809 4.613 ( 0.390 -4.439 -0.679) 4.508 5.086 ( 0.611 -5.111 -2.056) 5.543 5.221 ( -1.341 1.756 0.063) 2.211 5.617 ( -1.390 -1.280 0.407) 1.933 5.829 ( 0.022 -3.674 0.015) 3.674 6.026 ( 0.287 4.295 -1.101) 4.443 6.225 ( 0.101 -1.253 -0.601) 1.393 6.512 ( -0.649 -0.325 0.140) 0.739 6.676 ( 0.360 -2.260 1.705) 2.854 6.719 ( -0.724 -1.372 -1.734) 2.326 7.337 ( -0.303 -5.167 -0.092) 5.177 7.448 ( 0.164 -4.803 0.173) 4.809 ======================= Grid point 843 (411/477) ======================= q-point: (-0.07 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -3.578 9.446 7.476) 12.566 1.750 ( 4.797 13.285 -10.293) 17.477 2.066 ( -6.612 5.760 13.920) 16.451 2.428 ( 3.516 13.766 -8.727) 16.675 3.244 ( -3.772 21.462 3.756) 22.112 3.807 ( 5.753 3.507 -7.869) 10.359 4.726 ( 0.113 -6.509 0.552) 6.534 5.096 ( -0.381 6.540 -0.608) 6.579 5.271 ( -0.087 -10.547 0.003) 10.547 5.603 ( -1.855 2.164 1.780) 3.361 5.933 ( 0.319 -5.587 0.541) 5.622 5.977 ( 0.578 1.065 -0.899) 1.509 6.268 ( 0.154 -3.313 -0.332) 3.333 6.520 ( -1.601 -1.185 0.249) 2.007 6.729 ( 1.267 -1.658 0.952) 2.294 6.731 ( -0.404 -1.564 -1.293) 2.069 7.438 ( -0.395 -4.897 0.508) 4.939 7.553 ( 0.016 -5.839 0.399) 5.852 ======================= Grid point 848 (412/477) ======================= q-point: ( 0.21 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -6.689 0.000 8.707) 10.980 1.463 ( -5.198 0.000 5.857) 7.831 1.611 ( 5.628 -0.000 -21.973) 22.682 2.255 ( 1.940 -0.000 -11.045) 11.215 2.357 ( -8.385 0.000 13.852) 16.192 3.697 ( 4.539 -0.000 -11.312) 12.189 4.705 ( -0.164 0.000 1.047) 1.060 4.978 ( 0.099 -0.000 1.670) 1.673 5.309 ( -1.843 0.000 -0.074) 1.844 5.763 ( -0.967 0.000 -1.021) 1.406 5.910 ( -2.408 0.000 0.671) 2.500 6.183 ( 2.438 -0.000 0.394) 2.470 6.520 ( -4.281 0.000 2.624) 5.021 6.578 ( -1.054 0.000 -2.399) 2.621 6.800 ( -0.792 0.000 -1.720) 1.894 6.849 ( 3.390 -0.000 -3.241) 4.690 7.493 ( -1.321 0.000 -0.732) 1.510 7.777 ( -2.610 0.000 0.342) 2.632 ======================= Grid point 849 (413/477) ======================= q-point: ( 0.29 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -7.184 0.225 8.799) 11.362 1.448 ( 3.536 -0.079 -14.156) 14.592 1.690 ( -4.131 -11.110 -0.268) 11.856 2.184 ( 0.150 1.939 -3.797) 4.266 2.507 ( -4.588 -12.929 5.423) 14.752 3.696 ( 4.110 -1.198 -11.491) 12.262 4.780 ( -0.065 -6.675 1.413) 6.823 4.959 ( 0.507 2.256 1.449) 2.728 5.376 ( -1.654 -7.398 0.930) 7.638 5.672 ( -0.880 7.988 -2.526) 8.424 5.896 ( -2.396 0.225 0.630) 2.487 6.173 ( 2.218 2.518 1.147) 3.546 6.482 ( -2.730 3.178 1.183) 4.354 6.500 ( -1.808 4.586 -1.651) 5.198 6.770 ( -0.000 1.389 -1.085) 1.763 6.868 ( 2.358 -0.446 -2.073) 3.171 7.495 ( -1.350 -0.795 -0.395) 1.616 7.730 ( -2.132 3.121 -0.377) 3.798 ======================= Grid point 850 (414/477) ======================= q-point: ( 0.36 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -5.038 -7.478 9.990) 13.458 1.475 ( 6.367 -6.918 -16.834) 19.282 1.937 ( -9.194 -14.350 13.478) 21.728 2.200 ( 4.223 -4.994 -7.159) 9.697 2.821 ( -3.230 -19.625 5.249) 20.570 3.720 ( 3.605 -2.760 -11.397) 12.268 4.856 ( 0.952 2.974 0.740) 3.209 4.996 ( 0.488 -7.821 2.314) 8.171 5.453 ( -0.882 10.757 -2.216) 11.019 5.558 ( -0.375 -8.899 3.493) 9.567 5.881 ( -2.164 -0.376 -0.934) 2.387 6.117 ( 1.765 5.054 1.526) 5.566 6.360 ( 0.236 6.023 -1.351) 6.177 6.436 ( -3.598 1.551 0.372) 3.936 6.756 ( 1.001 0.361 1.005) 1.464 6.868 ( 1.828 1.204 -0.530) 2.252 7.488 ( -1.111 1.198 0.498) 1.708 7.640 ( -1.045 4.750 -1.112) 4.989 ======================= Grid point 851 (415/477) ======================= q-point: ( 0.43 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.090 -12.824 7.097) 14.657 1.725 ( 3.702 -18.270 -4.002) 19.066 2.176 ( -5.649 -10.389 12.460) 17.179 2.413 ( 4.814 -15.823 -7.297) 18.077 3.247 ( -3.079 -22.401 9.112) 24.378 3.780 ( 3.465 -5.664 -11.118) 12.950 4.781 ( 2.223 4.504 -0.330) 5.034 5.133 ( 0.676 -1.021 0.371) 1.279 5.285 ( -0.028 2.012 2.072) 2.888 5.697 ( -0.042 -1.642 6.260) 6.472 5.916 ( -1.181 -4.846 -0.824) 5.056 6.006 ( 1.446 6.038 -0.846) 6.266 6.269 ( 0.242 3.235 0.250) 3.254 6.401 ( -2.272 0.269 -0.652) 2.379 6.763 ( 0.908 0.550 2.696) 2.898 6.844 ( 1.862 2.061 0.223) 2.787 7.438 ( -0.597 3.482 1.318) 3.771 7.535 ( -0.242 5.039 -1.219) 5.190 ======================= Grid point 852 (416/477) ======================= q-point: ( 0.50 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 2.381 -16.582 5.532) 17.642 2.120 ( 0.148 -18.732 5.657) 19.568 2.397 ( 0.523 -11.613 2.215) 11.833 2.746 ( 3.142 -15.944 -2.037) 16.378 3.621 ( -3.662 -12.168 9.556) 15.899 3.967 ( 3.690 -15.772 -6.647) 17.508 4.725 ( 3.431 2.383 -1.484) 4.433 5.079 ( 0.668 2.418 -0.144) 2.513 5.324 ( 0.021 1.377 5.376) 5.550 5.693 ( 0.816 2.057 1.409) 2.623 5.855 ( 0.599 4.310 -0.695) 4.407 6.084 ( 0.017 -6.878 1.721) 7.090 6.238 ( 0.328 0.092 1.504) 1.542 6.389 ( -0.862 -0.131 -1.381) 1.634 6.750 ( -0.500 2.136 4.315) 4.840 6.816 ( 2.536 2.072 -0.578) 3.326 7.363 ( -0.011 4.334 1.488) 4.582 7.438 ( -0.008 4.433 -0.799) 4.504 ======================= Grid point 853 (417/477) ======================= q-point: ( 0.57 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 2.326 -17.230 4.515) 17.963 2.445 ( -1.942 -12.812 8.172) 15.320 2.623 ( 1.989 -9.645 -2.828) 10.246 3.004 ( 2.596 -7.893 -0.352) 8.317 3.798 ( -1.854 -8.142 4.904) 9.684 4.281 ( 1.232 -11.759 0.657) 11.842 4.717 ( 3.871 -0.043 -2.277) 4.491 5.080 ( 0.875 0.444 1.582) 1.861 5.215 ( -0.222 7.038 2.151) 7.363 5.616 ( 1.648 5.966 -2.929) 6.847 5.896 ( 0.188 -6.881 2.057) 7.184 6.175 ( -0.176 -2.649 0.697) 2.745 6.291 ( -0.214 -3.592 3.397) 4.948 6.389 ( 0.630 -0.716 -2.106) 2.312 6.702 ( -1.452 3.774 5.114) 6.520 6.780 ( 2.537 2.966 -1.618) 4.225 7.289 ( 0.336 3.563 1.251) 3.791 7.358 ( 0.120 3.689 -0.612) 3.742 ======================= Grid point 854 (418/477) ======================= q-point: ( 0.64 0.21 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 1.430 -13.324 3.226) 13.783 2.644 ( -1.830 -5.025 4.359) 6.899 2.757 ( 0.310 -5.808 -0.407) 5.831 3.043 ( 1.533 4.944 -1.298) 5.337 3.995 ( -0.470 -11.234 3.346) 11.732 4.371 ( -0.592 2.862 1.640) 3.351 4.756 ( 3.360 -2.591 -2.226) 4.791 4.909 ( -0.682 11.822 -0.763) 11.866 5.279 ( 2.487 -6.775 1.089) 7.299 5.489 ( 0.322 6.291 -3.103) 7.022 6.055 ( -0.319 -7.410 1.518) 7.571 6.218 ( -0.002 -1.241 0.561) 1.362 6.351 ( -0.800 -2.303 2.011) 3.161 6.420 ( 0.830 -2.401 -1.591) 2.997 6.623 ( -1.211 4.845 4.483) 6.711 6.714 ( 1.771 4.415 -2.201) 5.242 7.242 ( 0.373 1.693 0.937) 1.971 7.290 ( 0.281 2.970 -1.045) 3.161 ======================= Grid point 855 (419/477) ======================= q-point: (-0.29 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -1.444 8.384 2.385) 8.836 2.683 ( -1.084 -3.402 2.437) 4.323 2.847 ( 0.809 10.240 -1.660) 10.406 2.916 ( 0.435 -5.795 -1.135) 5.921 4.214 ( -2.442 -6.665 2.944) 7.685 4.223 ( 0.663 7.986 0.565) 8.034 4.709 ( 0.801 7.594 -3.254) 8.300 4.841 ( 1.635 -5.155 -1.522) 5.618 5.306 ( 1.343 7.226 -1.590) 7.520 5.446 ( 0.452 -4.028 -1.352) 4.272 6.153 ( -0.560 -2.010 0.587) 2.167 6.188 ( -0.401 5.032 0.997) 5.145 6.410 ( -0.488 -2.943 1.430) 3.309 6.459 ( -1.046 -1.138 1.473) 2.136 6.552 ( 0.774 1.885 -1.456) 2.505 6.628 ( 0.576 3.513 -1.027) 3.705 7.224 ( -0.047 1.098 0.288) 1.136 7.254 ( 0.593 -0.160 -1.233) 1.378 ======================= Grid point 856 (420/477) ======================= q-point: (-0.21 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -1.457 18.480 0.391) 18.542 2.579 ( -3.583 10.870 5.008) 12.493 2.692 ( 2.146 6.953 -3.761) 8.191 3.001 ( 0.991 -0.689 -2.460) 2.740 4.019 ( -2.641 8.547 2.095) 9.188 4.301 ( 0.315 2.133 0.097) 2.158 4.596 ( 1.245 3.649 -3.151) 4.979 4.964 ( 0.616 -6.416 -1.105) 6.540 5.165 ( 0.485 4.807 -2.023) 5.238 5.515 ( 0.967 -3.026 -1.466) 3.499 6.021 ( -1.299 10.220 1.712) 10.444 6.161 ( 0.332 1.106 -0.560) 1.283 6.356 ( -0.459 6.519 -0.174) 6.537 6.513 ( 0.541 -0.593 -0.586) 0.994 6.545 ( -2.144 -3.526 2.296) 4.722 6.629 ( 1.101 -2.585 -1.865) 3.372 7.213 ( -0.150 -0.604 -0.545) 0.828 7.289 ( 0.504 -2.975 -0.572) 3.071 ======================= Grid point 857 (421/477) ======================= q-point: (-0.14 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -0.867 19.408 0.453) 19.432 2.351 ( -5.321 12.297 7.239) 15.230 2.479 ( 3.848 14.333 -4.163) 15.414 2.921 ( 1.654 8.261 -4.014) 9.332 3.874 ( -4.957 6.259 4.131) 8.989 4.131 ( 3.419 14.141 -3.355) 14.930 4.564 ( 1.485 -0.516 -1.961) 2.513 5.024 ( 0.648 -1.142 -2.078) 2.458 5.184 ( -0.929 -4.584 0.848) 4.753 5.575 ( 1.150 -2.832 -1.463) 3.388 5.844 ( -1.012 5.963 1.391) 6.206 6.117 ( 0.590 3.966 -0.845) 4.098 6.238 ( -0.076 3.607 -0.478) 3.640 6.503 ( -2.089 -0.003 0.558) 2.162 6.631 ( 0.767 -3.548 1.918) 4.106 6.677 ( 0.168 -2.189 -1.509) 2.664 7.250 ( -0.130 -3.353 -0.224) 3.363 7.362 ( 0.304 -4.174 -0.311) 4.196 ======================= Grid point 858 (422/477) ======================= q-point: (-0.07 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.756 15.081 3.203) 15.436 2.053 ( -1.193 17.104 -0.547) 17.154 2.235 ( 0.137 10.768 5.243) 11.978 2.698 ( 2.425 13.603 -5.183) 14.758 3.637 ( -6.949 17.985 7.555) 20.708 3.910 ( 7.168 7.338 -8.636) 13.410 4.618 ( 1.282 -4.439 -0.745) 4.680 5.080 ( 0.430 -5.164 -1.469) 5.386 5.215 ( -0.766 1.714 1.632) 2.487 5.612 ( -0.773 -0.706 1.835) 2.113 5.833 ( 0.568 -4.042 -0.093) 4.083 6.027 ( 0.830 4.176 -0.615) 4.302 6.223 ( 0.045 -1.280 -0.327) 1.322 6.496 ( -2.461 -0.410 0.685) 2.587 6.699 ( 1.961 -2.159 0.496) 2.959 6.705 ( -0.576 -1.334 0.002) 1.453 7.335 ( -0.149 -5.210 0.334) 5.223 7.450 ( 0.127 -4.850 -0.121) 4.854 ======================= Grid point 863 (423/477) ======================= q-point: ( 0.29 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -8.512 0.000 7.992) 11.676 1.438 ( -5.798 0.000 5.880) 8.258 1.526 ( 5.653 -0.000 -23.857) 24.517 2.201 ( 1.800 -0.000 -12.147) 12.280 2.354 ( -7.766 0.000 13.950) 15.966 3.670 ( 3.834 -0.000 -11.760) 12.370 4.710 ( -0.076 0.000 1.059) 1.062 4.993 ( 0.512 -0.000 1.819) 1.890 5.285 ( -2.056 0.000 -0.342) 2.084 5.743 ( -0.759 0.000 -2.174) 2.303 5.888 ( -2.492 0.000 1.183) 2.759 6.213 ( 2.158 -0.000 0.712) 2.273 6.493 ( -3.373 0.000 2.603) 4.261 6.549 ( -1.198 0.000 -2.618) 2.879 6.777 ( -1.011 0.000 -2.221) 2.440 6.861 ( 2.437 -0.000 -3.285) 4.091 7.473 ( -1.393 0.000 -0.480) 1.473 7.746 ( -2.676 0.000 -0.521) 2.727 ======================= Grid point 864 (424/477) ======================= q-point: ( 0.36 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -8.358 -1.074 7.640) 11.374 1.395 ( 4.571 0.101 -16.174) 16.808 1.642 ( -5.318 -12.773 2.202) 14.010 2.160 ( 1.249 0.135 -6.146) 6.273 2.493 ( -4.810 -12.796 7.025) 15.370 3.665 ( 3.539 -1.174 -11.740) 12.318 4.790 ( 0.121 -7.068 1.570) 7.241 4.974 ( 0.351 2.350 1.530) 2.826 5.364 ( -1.629 -8.584 0.884) 8.782 5.645 ( -0.507 8.302 -3.320) 8.956 5.874 ( -2.254 0.428 0.785) 2.425 6.205 ( 1.804 2.339 1.437) 3.285 6.457 ( -3.104 2.378 1.604) 4.226 6.474 ( -0.648 5.302 -2.434) 5.870 6.764 ( -0.044 -0.061 -0.908) 0.911 6.876 ( 1.617 -0.771 -2.165) 2.810 7.479 ( -1.302 -1.019 -0.078) 1.655 7.701 ( -2.138 2.695 -1.003) 3.584 ======================= Grid point 865 (425/477) ======================= q-point: ( 0.43 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -5.683 -10.336 9.680) 15.259 1.448 ( 7.200 -8.879 -15.640) 19.372 1.917 ( -9.162 -15.918 12.904) 22.447 2.203 ( 4.666 -5.778 -7.700) 10.698 2.822 ( -2.961 -20.718 5.956) 21.759 3.684 ( 3.145 -2.750 -11.468) 12.205 4.875 ( 1.001 3.086 1.315) 3.501 5.012 ( 0.062 -8.628 1.858) 8.826 5.430 ( -0.333 10.459 -2.862) 10.849 5.576 ( -0.509 -11.297 3.595) 11.866 5.853 ( -1.823 0.246 -0.700) 1.969 6.144 ( 1.248 5.606 1.650) 5.976 6.355 ( 0.257 5.327 -1.282) 5.485 6.400 ( -2.634 1.523 -0.193) 3.049 6.775 ( 0.918 -0.522 1.324) 1.694 6.882 ( 1.292 0.690 -0.623) 1.592 7.479 ( -1.026 0.710 0.759) 1.460 7.619 ( -1.097 4.189 -1.369) 4.542 ======================= Grid point 866 (426/477) ======================= q-point: ( 0.50 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -0.584 -14.399 6.610) 15.854 1.746 ( 4.109 -19.937 -3.403) 20.639 2.185 ( -6.550 -11.630 12.042) 17.977 2.423 ( 5.492 -16.170 -7.978) 18.849 3.276 ( -2.514 -23.384 9.595) 25.400 3.745 ( 3.115 -6.147 -11.428) 13.345 4.801 ( 1.453 4.155 0.067) 4.402 5.141 ( 0.943 0.725 -0.779) 1.422 5.300 ( -0.067 -1.316 2.511) 2.836 5.732 ( -0.233 -0.471 5.064) 5.092 5.901 ( -1.032 -7.456 0.106) 7.528 6.014 ( 1.121 7.093 -1.246) 7.289 6.275 ( 0.341 2.873 0.370) 2.917 6.375 ( -1.304 -0.089 -1.087) 1.700 6.789 ( 0.480 0.551 2.944) 3.034 6.864 ( 1.639 1.672 -0.191) 2.349 7.440 ( -0.604 3.050 1.504) 3.454 7.524 ( -0.302 4.611 -1.265) 4.790 ======================= Grid point 867 (427/477) ======================= q-point: ( 0.57 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 1.352 -17.038 4.384) 17.645 2.157 ( 0.112 -18.732 5.313) 19.471 2.407 ( -0.780 -11.564 1.569) 11.696 2.768 ( 3.340 -16.541 -2.654) 17.082 3.645 ( -2.267 -10.464 8.381) 13.597 3.962 ( 2.654 -18.439 -6.147) 19.617 4.748 ( 2.045 2.035 -1.262) 3.149 5.087 ( 1.165 1.700 -0.613) 2.150 5.354 ( -0.450 2.055 4.891) 5.324 5.706 ( 0.837 2.665 -0.083) 2.795 5.857 ( 0.554 3.783 -0.570) 3.866 6.093 ( -0.281 -6.838 1.776) 7.071 6.253 ( 0.372 -0.548 1.651) 1.779 6.373 ( -0.102 -0.486 -1.870) 1.935 6.770 ( -0.919 2.410 4.416) 5.114 6.837 ( 2.250 2.052 -1.217) 3.279 7.371 ( -0.131 4.088 1.470) 4.346 7.433 ( -0.033 4.224 -0.771) 4.294 ======================= Grid point 868 (428/477) ======================= q-point: (-0.36 -0.71 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 1.221 -17.019 2.975) 17.320 2.473 ( -2.160 -12.253 7.879) 14.727 2.620 ( 0.857 -9.369 -3.209) 9.941 3.027 ( 2.352 -7.611 -1.203) 8.056 3.812 ( -0.549 -8.147 3.449) 8.864 4.294 ( 0.337 -11.701 0.615) 11.722 4.737 ( 2.031 -0.279 -2.134) 2.959 5.099 ( 1.038 1.048 0.920) 1.739 5.225 ( -0.055 6.783 1.454) 6.938 5.615 ( 1.537 6.429 -3.121) 7.310 5.909 ( -0.044 -6.895 1.582) 7.074 6.176 ( -0.319 -2.582 0.639) 2.679 6.309 ( -0.312 -2.928 3.264) 4.396 6.384 ( 1.155 -1.310 -2.754) 3.261 6.716 ( -1.658 3.855 4.922) 6.469 6.794 ( 2.004 3.289 -2.153) 4.412 7.299 ( 0.263 3.495 0.937) 3.628 7.355 ( 0.028 3.639 -0.530) 3.677 ======================= Grid point 869 (429/477) ======================= q-point: (-0.29 -0.71 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 0.305 -12.979 1.932) 13.126 2.652 ( -1.219 -3.223 3.598) 4.982 2.755 ( -0.584 -7.076 0.062) 7.101 3.049 ( 1.262 5.873 -1.698) 6.242 4.010 ( -0.027 -11.116 2.072) 11.307 4.373 ( -0.765 3.282 1.565) 3.716 4.767 ( 0.885 -2.560 -1.957) 3.342 4.904 ( 0.941 12.465 -1.096) 12.548 5.308 ( 1.740 -7.655 0.003) 7.850 5.475 ( 0.623 7.463 -2.805) 7.997 6.059 ( -0.461 -7.041 1.226) 7.162 6.219 ( -0.387 -1.352 0.560) 1.513 6.357 ( -0.114 -2.059 1.506) 2.554 6.419 ( 0.570 -1.967 -1.425) 2.495 6.636 ( -1.190 4.777 3.883) 6.270 6.716 ( 1.235 4.783 -2.479) 5.527 7.252 ( 0.463 1.730 0.516) 1.864 7.286 ( 0.067 3.105 -0.916) 3.238 ======================= Grid point 870 (430/477) ======================= q-point: (-0.21 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -1.668 8.984 2.608) 9.502 2.689 ( -0.272 -3.276 1.887) 3.791 2.845 ( 0.800 12.336 -1.653) 12.472 2.913 ( 0.089 -7.342 -0.787) 7.385 4.192 ( -3.851 2.913 3.296) 5.847 4.246 ( 1.926 -0.819 0.113) 2.096 4.700 ( 0.906 7.253 -2.441) 7.706 4.848 ( 1.628 -4.725 -2.181) 5.453 5.309 ( 1.039 8.594 -1.818) 8.845 5.444 ( 0.665 -4.896 -1.183) 5.081 6.152 ( -0.267 -1.647 0.690) 1.806 6.189 ( -0.553 4.780 0.867) 4.890 6.412 ( -0.830 -1.970 1.313) 2.508 6.457 ( -0.974 -2.835 1.682) 3.437 6.552 ( 0.776 4.152 -1.501) 4.483 6.628 ( 0.688 2.746 -1.035) 3.014 7.225 ( -0.127 1.761 0.220) 1.779 7.253 ( 0.676 -0.624 -1.177) 1.494 ======================= Grid point 871 (431/477) ======================= q-point: (-0.14 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -0.513 18.705 1.716) 18.791 2.577 ( -2.643 11.265 5.448) 12.790 2.697 ( 2.662 6.492 -3.197) 7.711 2.998 ( 1.014 -0.521 -1.958) 2.265 4.000 ( -3.790 8.837 3.607) 10.269 4.311 ( 1.244 2.176 -0.084) 2.508 4.597 ( 2.319 3.457 -2.623) 4.920 4.963 ( 0.452 -6.153 -1.118) 6.270 5.162 ( 0.725 4.904 -1.182) 5.096 5.517 ( 1.110 -3.142 -1.633) 3.711 6.019 ( -1.101 10.240 2.044) 10.500 6.165 ( 0.905 1.155 -0.465) 1.539 6.351 ( -0.486 6.569 0.479) 6.604 6.493 ( -2.439 0.502 -0.406) 2.523 6.555 ( -0.103 -5.058 2.736) 5.751 6.634 ( 1.985 -1.932 -1.847) 3.329 7.210 ( -0.110 -0.575 -0.028) 0.586 7.291 ( 0.583 -2.956 -0.748) 3.104 ======================= Grid point 872 (432/477) ======================= q-point: (-0.07 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.610 19.239 2.677) 19.434 2.346 ( -3.938 13.202 7.583) 15.726 2.505 ( 4.549 13.327 -2.834) 14.364 2.920 ( 1.880 8.375 -2.743) 9.011 3.843 ( -5.804 7.056 5.467) 10.647 4.157 ( 4.254 13.267 -2.623) 14.177 4.576 ( 2.744 -0.526 -1.792) 3.319 5.022 ( 0.824 -1.011 -1.022) 1.658 5.181 ( -0.949 -4.640 1.573) 4.991 5.582 ( 1.740 -2.998 -1.371) 3.727 5.844 ( -0.720 5.982 1.857) 6.305 6.124 ( 1.193 3.987 -0.141) 4.164 6.237 ( 0.038 3.589 0.214) 3.596 6.476 ( -3.131 -0.241 0.676) 3.212 6.652 ( 0.023 -3.818 2.585) 4.611 6.678 ( 1.954 -1.671 -1.513) 2.983 7.249 ( 0.035 -3.420 0.350) 3.438 7.363 ( 0.299 -4.132 -0.468) 4.170 ======================= Grid point 879 (433/477) ======================= q-point: ( 0.36 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -10.287 0.000 7.699) 12.849 1.408 ( -6.336 0.000 6.532) 9.100 1.441 ( 6.591 -0.000 -23.963) 24.853 2.144 ( 2.325 -0.000 -12.671) 12.883 2.359 ( -7.027 0.000 13.751) 15.442 3.637 ( 3.622 -0.000 -11.753) 12.298 4.716 ( -0.100 0.000 1.125) 1.130 5.010 ( 0.114 -0.000 2.297) 2.300 5.259 ( -2.005 0.000 -0.329) 2.032 5.721 ( -0.132 0.000 -2.933) 2.936 5.869 ( -2.130 0.000 1.206) 2.448 6.239 ( 1.434 -0.000 0.801) 1.643 6.478 ( -2.162 0.000 2.407) 3.235 6.519 ( -1.060 0.000 -2.351) 2.579 6.751 ( -1.062 0.000 -2.257) 2.494 6.862 ( 1.523 -0.000 -3.122) 3.473 7.457 ( -1.183 0.000 0.045) 1.184 7.711 ( -2.493 0.000 -1.005) 2.688 ======================= Grid point 880 (434/477) ======================= q-point: ( 0.43 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -8.941 -2.758 6.868) 11.607 1.350 ( 5.472 -0.643 -15.729) 16.666 1.600 ( -5.835 -13.852 4.455) 15.677 2.135 ( 2.583 -1.789 -8.141) 8.726 2.488 ( -4.751 -12.463 8.370) 15.747 3.630 ( 3.573 -1.060 -11.493) 12.082 4.802 ( 0.141 -7.729 1.607) 7.896 4.984 ( -0.626 2.779 1.973) 3.465 5.352 ( -1.460 -9.714 0.942) 9.868 5.621 ( 0.249 8.591 -3.737) 9.372 5.856 ( -1.697 0.586 0.793) 1.963 6.230 ( 1.015 2.021 1.474) 2.699 6.437 ( -1.986 3.142 1.183) 3.901 6.454 ( -0.350 4.753 -2.114) 5.213 6.758 ( -0.086 -1.594 -0.657) 1.727 6.877 ( 0.933 -1.156 -2.018) 2.506 7.466 ( -1.040 -1.146 0.392) 1.597 7.671 ( -1.935 2.314 -1.118) 3.217 ======================= Grid point 881 (435/477) ======================= q-point: ( 0.50 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -6.373 -13.157 9.266) 17.308 1.439 ( 7.842 -10.676 -13.999) 19.273 1.896 ( -8.944 -16.918 12.872) 23.062 2.207 ( 5.201 -6.617 -8.439) 11.919 2.830 ( -2.604 -21.789 6.275) 22.824 3.648 ( 3.318 -2.571 -10.976) 11.751 4.892 ( 0.059 3.772 1.959) 4.251 5.021 ( -0.261 -9.935 1.353) 10.030 5.411 ( 0.388 10.067 -3.012) 10.515 5.591 ( -0.715 -13.222 3.088) 13.596 5.833 ( -1.106 0.868 -0.266) 1.430 6.165 ( 0.539 6.157 1.537) 6.369 6.350 ( 0.296 4.636 -1.049) 4.762 6.376 ( -1.202 1.575 -0.656) 2.087 6.792 ( 0.576 -1.275 1.225) 1.860 6.889 ( 0.803 0.142 -0.671) 1.056 7.474 ( -0.825 0.347 1.041) 1.373 7.599 ( -1.030 3.709 -1.151) 4.018 ======================= Grid point 882 (436/477) ======================= q-point: (-0.43 -0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -2.030 -15.796 5.930) 16.994 1.771 ( 4.451 -20.927 -3.968) 21.760 2.182 ( -7.419 -12.318 11.903) 18.667 2.435 ( 6.020 -16.420 -8.628) 19.502 3.311 ( -2.101 -24.659 9.333) 26.450 3.708 ( 3.331 -6.024 -11.296) 13.228 4.812 ( -0.061 3.988 0.603) 4.034 5.146 ( 1.275 1.585 -1.638) 2.612 5.314 ( -0.196 -3.497 2.289) 4.185 5.754 ( -0.524 0.910 3.226) 3.392 5.896 ( -0.734 -9.813 1.314) 9.928 6.017 ( 1.070 7.877 -1.710) 8.131 6.281 ( 0.296 2.526 0.264) 2.557 6.359 ( -0.252 -0.219 -1.160) 1.207 6.809 ( -0.183 0.542 2.629) 2.691 6.878 ( 1.295 1.300 -0.735) 1.976 7.444 ( -0.573 2.768 1.591) 3.244 7.513 ( -0.331 4.234 -1.014) 4.366 ======================= Grid point 883 (437/477) ======================= q-point: (-0.36 -0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.193 -17.442 2.818) 17.669 2.188 ( 0.109 -18.759 4.031) 19.188 2.400 ( -2.360 -11.349 1.639) 11.707 2.787 ( 3.460 -16.804 -3.758) 17.564 3.675 ( -0.848 -8.684 6.560) 10.916 3.949 ( 1.653 -20.861 -5.612) 21.666 4.753 ( 0.136 1.879 -0.877) 2.078 5.097 ( 1.607 1.146 -1.405) 2.423 5.375 ( -0.892 2.479 3.874) 4.686 5.711 ( 0.712 3.087 -1.090) 3.350 5.860 ( 0.552 3.395 -0.571) 3.487 6.100 ( -0.276 -6.592 1.427) 6.750 6.266 ( 0.246 -1.189 1.276) 1.762 6.363 ( 0.529 -0.564 -1.919) 2.069 6.784 ( -1.484 2.486 3.941) 4.890 6.850 ( 1.727 2.102 -1.986) 3.369 7.378 ( -0.240 3.955 1.255) 4.156 7.428 ( -0.082 4.037 -0.592) 4.081 ======================= Grid point 884 (438/477) ======================= q-point: (-0.29 -0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -0.199 -16.999 1.058) 17.033 2.496 ( -2.652 -11.809 7.635) 14.310 2.603 ( 0.094 -9.570 -3.610) 10.229 3.040 ( 1.966 -7.312 -2.444) 7.956 3.829 ( 0.520 -7.905 1.761) 8.116 4.296 ( -0.491 -11.904 0.362) 11.919 4.735 ( -0.063 -0.421 -1.923) 1.970 5.115 ( 1.286 1.371 -0.374) 1.916 5.232 ( -0.020 6.661 0.710) 6.699 5.612 ( 1.409 6.570 -3.017) 7.366 5.915 ( -0.441 -6.830 1.016) 6.919 6.176 ( -0.335 -2.427 0.564) 2.514 6.326 ( -0.213 -2.630 2.714) 3.785 6.379 ( 1.351 -1.617 -3.229) 3.856 6.725 ( -2.075 3.789 4.337) 6.122 6.797 ( 1.415 3.531 -2.791) 4.718 7.306 ( 0.188 3.405 0.353) 3.428 7.352 ( -0.098 3.646 -0.314) 3.661 ======================= Grid point 885 (439/477) ======================= q-point: (-0.21 -0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -1.117 -12.660 0.361) 12.714 2.663 ( -0.549 -2.717 3.158) 4.202 2.745 ( -1.314 -8.071 0.108) 8.178 3.050 ( 0.976 6.208 -2.067) 6.615 4.020 ( 0.232 -10.699 0.757) 10.729 4.373 ( -0.993 3.234 1.440) 3.677 4.753 ( -0.996 -1.987 -1.885) 2.914 4.915 ( 2.094 11.842 -1.309) 12.097 5.314 ( 0.456 -7.728 -2.069) 8.013 5.471 ( 1.345 7.631 -1.694) 7.932 6.060 ( -0.650 -7.067 0.982) 7.165 6.216 ( -0.726 -1.304 0.512) 1.578 6.368 ( 0.531 -1.802 1.039) 2.147 6.415 ( 0.328 -1.812 -1.380) 2.301 6.645 ( -1.323 4.528 3.151) 5.672 6.710 ( 0.706 4.957 -2.785) 5.730 7.258 ( 0.572 1.555 -0.330) 1.689 7.281 ( -0.187 3.317 -0.446) 3.352 ======================= Grid point 886 (440/477) ======================= q-point: (-0.14 -0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -1.448 7.904 2.302) 8.359 2.699 ( -0.242 -2.630 1.750) 3.168 2.844 ( 0.793 11.993 -1.584) 12.123 2.909 ( -0.007 -7.412 -0.376) 7.422 4.172 ( -3.224 3.892 3.148) 5.954 4.264 ( 1.124 -1.427 0.208) 1.829 4.700 ( 1.408 6.057 -1.866) 6.493 4.850 ( 1.313 -3.948 -2.657) 4.937 5.306 ( 0.711 7.855 -2.024) 8.143 5.446 ( 0.915 -4.391 -1.074) 4.612 6.155 ( -0.040 -1.445 0.827) 1.665 6.187 ( -0.702 4.066 0.740) 4.192 6.409 ( -1.077 -0.681 1.156) 1.720 6.458 ( -0.875 -3.851 1.868) 4.369 6.551 ( 0.775 5.494 -1.444) 5.733 6.630 ( 0.744 1.493 -1.089) 1.992 7.224 ( -0.225 1.970 0.193) 1.992 7.254 ( 0.773 -0.859 -1.167) 1.643 ======================= Grid point 887 (441/477) ======================= q-point: (-0.07 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.479 18.124 2.908) 18.362 2.587 ( -1.964 11.218 5.768) 12.766 2.711 ( 2.880 5.634 -2.531) 6.815 2.999 ( 1.138 -0.786 -1.414) 1.978 3.982 ( -3.983 9.357 4.628) 11.173 4.326 ( 1.358 1.520 0.207) 2.049 4.614 ( 3.448 3.196 -2.264) 5.218 4.960 ( 0.143 -6.569 -1.002) 6.647 5.167 ( 1.098 5.184 -0.419) 5.315 5.519 ( 1.147 -3.503 -1.839) 4.120 6.022 ( -0.810 10.008 2.228) 10.285 6.175 ( 1.217 1.068 -0.225) 1.635 6.350 ( -0.676 6.077 1.248) 6.241 6.463 ( -2.109 1.035 -0.651) 2.437 6.569 ( -0.859 -5.229 3.486) 6.343 6.649 ( 2.716 -1.968 -1.917) 3.863 7.210 ( -0.034 -0.692 0.453) 0.828 7.293 ( 0.624 -2.917 -0.887) 3.112 ======================= Grid point 894 (442/477) ======================= q-point: ( 0.43 0.43 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -10.783 0.000 8.331) 13.627 1.375 ( 7.840 -0.000 -22.221) 23.564 1.380 ( -6.679 0.000 7.791) 10.262 2.096 ( 3.487 -0.000 -12.423) 12.903 2.369 ( -6.451 0.000 13.203) 14.695 3.606 ( 4.075 -0.000 -11.314) 12.026 4.721 ( -0.291 0.000 1.180) 1.216 5.022 ( -1.171 0.000 3.035) 3.254 5.237 ( -1.643 0.000 0.008) 1.643 5.704 ( 0.834 -0.000 -3.334) 3.436 5.856 ( -1.409 0.000 1.057) 1.762 6.255 ( 0.576 -0.000 0.667) 0.881 6.475 ( -0.832 0.000 1.959) 2.128 6.496 ( -0.709 0.000 -1.719) 1.860 6.726 ( -0.903 0.000 -1.771) 1.988 6.857 ( 0.757 -0.000 -2.666) 2.771 7.447 ( -0.826 0.000 0.574) 1.006 7.679 ( -2.033 0.000 -0.811) 2.189 ======================= Grid point 895 (443/477) ======================= q-point: (-0.50 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -8.684 -4.261 7.627) 12.318 1.321 ( 6.190 -1.732 -14.016) 15.419 1.569 ( -5.705 -14.445 6.433) 16.810 2.117 ( 4.009 -3.340 -9.113) 10.501 2.491 ( -4.574 -12.161 8.968) 15.788 3.603 ( 4.224 -0.879 -10.784) 11.615 4.812 ( -0.082 -8.452 1.401) 8.568 4.984 ( -2.072 3.293 2.794) 4.790 5.343 ( -1.147 -10.538 1.120) 10.659 5.605 ( 1.174 8.875 -3.732) 9.699 5.847 ( -0.855 0.663 0.781) 1.334 6.245 ( 0.045 1.671 1.290) 2.112 6.428 ( -0.700 4.018 0.616) 4.125 6.441 ( 0.223 4.209 -1.501) 4.474 6.753 ( -0.122 -2.805 -0.374) 2.832 6.873 ( 0.369 -1.538 -1.604) 2.252 7.460 ( -0.693 -1.183 0.781) 1.578 7.646 ( -1.481 2.061 -0.534) 2.594 ======================= Grid point 896 (444/477) ======================= q-point: (-0.43 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -7.018 -15.006 9.134) 18.917 1.445 ( 8.070 -12.008 -12.701) 19.252 1.881 ( -8.529 -17.281 13.332) 23.433 2.213 ( 5.742 -7.266 -9.016) 12.925 2.841 ( -2.279 -22.649 5.964) 23.531 3.622 ( 4.035 -2.263 -9.888) 10.916 4.897 ( -1.766 4.505 2.527) 5.459 5.025 ( -0.100 -11.111 0.824) 11.142 5.401 ( 1.086 9.816 -2.718) 10.243 5.599 ( -0.821 -14.372 2.410) 14.596 5.825 ( -0.279 1.279 0.152) 1.318 6.175 ( -0.278 6.425 1.175) 6.537 6.347 ( -0.087 3.925 -0.597) 3.971 6.368 ( 0.910 2.002 -1.107) 2.462 6.803 ( 0.076 -1.738 0.792) 1.912 6.892 ( 0.347 -0.300 -0.674) 0.816 7.474 ( -0.580 0.138 1.179) 1.321 7.583 ( -0.798 3.448 -0.372) 3.559 ======================= Grid point 897 (445/477) ======================= q-point: (-0.36 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -3.802 -16.838 5.100) 17.999 1.793 ( 4.657 -21.259 -5.515) 22.451 2.170 ( -8.233 -12.274 12.175) 19.149 2.449 ( 6.355 -16.527 -9.141) 19.927 3.343 ( -2.019 -26.178 7.851) 27.404 3.680 ( 4.044 -5.087 -10.209) 12.102 4.807 ( -1.732 3.947 1.094) 4.447 5.149 ( 1.571 1.794 -2.153) 3.212 5.323 ( -0.413 -4.424 1.543) 4.704 5.763 ( -0.700 1.659 1.880) 2.603 5.899 ( -0.474 -11.104 1.761) 11.253 6.017 ( 0.975 8.348 -2.077) 8.658 6.284 ( 0.150 2.252 -0.022) 2.257 6.356 ( 0.906 -0.038 -0.940) 1.306 6.817 ( -0.956 0.530 1.910) 2.201 6.883 ( 0.799 1.083 -1.340) 1.899 7.447 ( -0.509 2.653 1.435) 3.059 7.505 ( -0.304 4.045 -0.388) 4.075 ======================= Grid point 898 (446/477) ======================= q-point: (-0.29 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -1.889 -17.793 1.109) 17.927 2.209 ( 0.278 -19.005 1.652) 19.079 2.376 ( -4.114 -10.964 2.737) 12.026 2.798 ( 3.465 -16.623 -5.126) 17.737 3.708 ( 0.479 -6.943 4.262) 8.161 3.928 ( 0.621 -22.777 -4.912) 23.309 4.740 ( -1.569 1.914 -0.528) 2.531 5.105 ( 1.862 0.888 -2.291) 3.083 5.383 ( -1.335 2.478 2.439) 3.724 5.709 ( 0.452 3.418 -1.391) 3.717 5.862 ( 0.460 3.322 -0.689) 3.424 6.104 ( -0.258 -6.489 0.741) 6.537 6.273 ( -0.016 -1.605 0.214) 1.619 6.363 ( 1.292 -0.326 -1.341) 1.890 6.786 ( -2.180 2.414 3.142) 4.522 6.851 ( 1.094 2.173 -2.763) 3.682 7.381 ( -0.309 3.951 0.742) 4.032 7.424 ( -0.144 3.933 -0.160) 3.939 ======================= Grid point 899 (447/477) ======================= q-point: (-0.21 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -1.628 -17.129 -0.896) 17.229 2.509 ( -3.865 -11.409 7.790) 14.345 2.578 ( 0.142 -10.355 -4.480) 11.283 3.040 ( 1.550 -7.074 -3.810) 8.183 3.845 ( 1.373 -7.425 0.164) 7.553 4.287 ( -1.367 -12.375 -0.005) 12.450 4.713 ( -1.555 -0.447 -1.840) 2.450 5.122 ( 1.290 1.063 -2.024) 2.625 5.233 ( -0.171 7.097 0.140) 7.100 5.608 ( 1.196 6.334 -2.663) 6.974 5.912 ( -0.847 -6.735 0.485) 6.805 6.175 ( -0.396 -2.197 0.451) 2.277 6.336 ( -0.446 -3.329 1.231) 3.577 6.376 ( 1.931 -1.032 -2.890) 3.626 6.724 ( -2.672 3.560 3.619) 5.737 6.790 ( 0.873 3.651 -3.368) 5.043 7.307 ( 0.105 3.327 -0.481) 3.363 7.349 ( -0.201 3.699 0.092) 3.706 ======================= Grid point 900 (448/477) ======================= q-point: (-0.14 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -2.180 -12.611 -0.959) 12.834 2.677 ( -0.911 -3.521 3.317) 4.923 2.727 ( -1.342 -8.407 -0.735) 8.545 3.045 ( 0.740 5.828 -2.409) 6.349 4.026 ( 0.534 -10.121 -0.362) 10.142 4.368 ( -1.460 2.772 1.345) 3.410 4.725 ( -1.465 -2.003 -2.282) 3.371 4.931 ( 2.058 11.117 -1.192) 11.369 5.294 ( -0.403 -6.606 -3.834) 7.649 5.481 ( 1.691 6.369 -0.813) 6.640 6.057 ( -0.857 -7.466 0.807) 7.558 6.209 ( -1.012 -1.122 0.426) 1.570 6.382 ( 0.955 -1.588 0.867) 2.046 6.409 ( 0.362 -1.899 -1.665) 2.551 6.646 ( -1.634 3.955 2.548) 4.980 6.697 ( 0.280 5.021 -3.099) 5.907 7.259 ( 0.506 1.401 -1.570) 2.164 7.278 ( -0.250 3.368 0.418) 3.403 ======================= Grid point 901 (449/477) ======================= q-point: (-0.07 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -1.050 5.539 1.763) 5.907 2.705 ( -0.948 -1.532 2.127) 2.788 2.843 ( 0.732 8.282 -1.558) 8.459 2.909 ( 0.312 -5.235 -0.218) 5.249 4.160 ( -2.121 4.185 2.777) 5.452 4.273 ( -0.043 -1.831 0.618) 1.933 4.707 ( 1.996 4.031 -1.834) 4.857 4.844 ( 0.853 -2.768 -2.724) 3.976 5.301 ( 0.631 5.482 -2.044) 5.884 5.450 ( 0.987 -2.931 -1.116) 3.288 6.161 ( 0.003 -0.999 0.948) 1.377 6.182 ( -0.790 2.577 0.659) 2.775 6.404 ( -1.021 0.533 1.103) 1.595 6.460 ( -0.847 -3.898 1.869) 4.405 6.551 ( 0.771 5.715 -1.334) 5.919 6.631 ( 0.706 -0.011 -1.145) 1.345 7.222 ( -0.259 1.722 0.226) 1.756 7.256 ( 0.804 -0.857 -1.213) 1.689 ======================= Grid point 909 (450/477) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -9.853 0.000 10.941) 14.724 1.338 ( 9.256 -0.000 -19.718) 21.783 1.359 ( -6.676 0.000 9.435) 11.558 2.068 ( 5.045 -0.000 -11.368) 12.437 2.380 ( -6.166 0.000 12.437) 13.882 3.587 ( 5.017 -0.000 -10.547) 11.679 4.724 ( -0.645 0.000 1.184) 1.349 5.021 ( -2.848 0.000 3.825) 4.769 5.224 ( -1.007 0.000 0.635) 1.191 5.698 ( 1.813 -0.000 -3.358) 3.816 5.852 ( -0.415 0.000 0.925) 1.014 6.261 ( -0.152 0.000 0.477) 0.501 6.482 ( -0.237 0.000 -0.893) 0.923 6.483 ( 0.396 -0.000 1.106) 1.175 6.709 ( -0.551 0.000 -0.824) 0.992 6.847 ( 0.152 -0.000 -1.884) 1.891 7.445 ( -0.481 0.000 0.841) 0.969 7.658 ( -1.263 0.000 0.155) 1.272 ======================= Grid point 910 (451/477) ======================= q-point: (-0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -8.028 -4.775 10.359) 13.949 1.311 ( 6.853 -2.536 -12.123) 14.155 1.555 ( -4.892 -14.705 8.017) 17.448 2.112 ( 5.323 -4.130 -8.988) 11.233 2.498 ( -4.399 -12.064 8.868) 15.605 3.590 ( 5.205 -0.692 -9.746) 11.071 4.816 ( -0.545 -8.905 0.981) 8.975 4.974 ( -3.306 3.517 3.740) 6.107 5.341 ( -0.741 -10.924 1.381) 11.035 5.600 ( 1.982 9.121 -3.245) 9.882 5.847 ( 0.141 0.735 0.741) 1.053 6.248 ( -0.947 1.550 1.043) 2.095 6.425 ( -0.128 4.413 0.057) 4.416 6.443 ( 1.626 3.972 -0.945) 4.395 6.750 ( -0.144 -3.392 -0.078) 3.396 6.866 ( -0.098 -1.834 -0.966) 2.076 7.460 ( -0.381 -1.186 0.903) 1.538 7.633 ( -0.753 2.017 0.695) 2.262 ======================= Grid point 911 (452/477) ======================= q-point: (-0.36 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -7.646 -15.332 9.696) 19.686 1.457 ( 8.053 -12.613 -12.102) 19.246 1.874 ( -8.002 -16.917 14.029) 23.389 2.222 ( 6.195 -7.582 -9.305) 13.507 2.853 ( -2.001 -23.092 5.056) 23.724 3.615 ( 4.942 -1.970 -8.373) 9.920 4.884 ( -3.474 4.448 2.891) 6.341 5.030 ( 0.230 -11.242 0.228) 11.247 5.401 ( 1.594 9.812 -2.024) 10.144 5.603 ( -0.903 -14.658 1.790) 14.795 5.828 ( 0.581 1.480 0.403) 1.640 6.173 ( -1.254 6.260 0.728) 6.426 6.343 ( -0.084 3.669 -0.240) 3.678 6.381 ( 2.688 2.462 -1.342) 3.884 6.803 ( -0.486 -1.816 0.181) 1.889 6.889 ( -0.114 -0.509 -0.640) 0.826 7.476 ( -0.352 0.073 1.068) 1.127 7.578 ( -0.394 3.513 0.843) 3.634 ======================= Grid point 912 (453/477) ======================= q-point: (-0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -5.383 -17.321 4.379) 18.660 1.805 ( 4.702 -21.040 -7.625) 22.868 2.152 ( -8.932 -11.589 12.818) 19.453 2.462 ( 6.475 -16.374 -9.566) 20.039 3.361 ( -2.120 -27.283 4.958) 27.811 3.672 ( 4.809 -3.870 -7.873) 10.004 4.788 ( -2.896 4.003 1.413) 5.138 5.154 ( 1.755 1.608 -2.441) 3.409 5.323 ( -0.708 -4.147 0.584) 4.247 5.763 ( -0.927 1.580 1.165) 2.171 5.906 ( -0.154 -11.172 1.305) 11.249 6.011 ( 0.429 8.516 -2.059) 8.772 6.284 ( 0.029 2.139 -0.391) 2.174 6.368 ( 2.178 0.369 -0.640) 2.300 6.811 ( -1.719 0.543 1.024) 2.073 6.879 ( 0.204 1.073 -1.864) 2.160 7.450 ( -0.438 2.696 0.941) 2.889 7.502 ( -0.209 4.135 0.571) 4.179 ======================= Grid point 913 (454/477) ======================= q-point: (-0.21 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -3.371 -18.030 -0.452) 18.348 2.214 ( 0.669 -19.534 -1.874) 19.635 2.344 ( -5.899 -10.374 4.994) 12.937 2.799 ( 3.356 -16.035 -6.503) 17.625 3.739 ( 1.658 -5.477 1.830) 6.008 3.901 ( -0.504 -23.932 -4.047) 24.277 4.713 ( -2.518 2.097 -0.354) 3.296 5.109 ( 1.906 1.036 -3.036) 3.731 5.375 ( -1.853 2.057 0.800) 2.881 5.704 ( 0.096 3.738 -1.236) 3.938 5.861 ( 0.186 3.452 -0.768) 3.541 6.103 ( -0.427 -6.689 -0.076) 6.703 6.268 ( -0.267 -1.405 -1.019) 1.756 6.377 ( 2.218 -0.040 -0.592) 2.296 6.775 ( -2.881 2.256 2.313) 4.329 6.840 ( 0.481 2.216 -3.333) 4.031 7.380 ( -0.373 4.051 -0.008) 4.068 7.423 ( -0.153 3.965 0.464) 3.995 ======================= Grid point 914 (455/477) ======================= q-point: (-0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -2.786 -17.410 -2.548) 17.815 2.504 ( -6.011 -10.643 8.169) 14.702 2.552 ( 1.203 -11.989 -5.729) 13.342 3.027 ( 1.223 -6.945 -5.040) 8.668 3.862 ( 2.025 -6.792 -1.033) 7.163 4.265 ( -2.294 -13.052 -0.427) 13.259 4.679 ( -2.108 -0.408 -1.961) 2.908 5.117 ( 0.989 0.609 -3.542) 3.728 5.230 ( -0.430 7.577 -0.210) 7.592 5.605 ( 0.883 5.804 -2.224) 6.278 5.902 ( -1.140 -6.618 0.106) 6.716 6.172 ( -0.584 -1.984 0.254) 2.084 6.328 ( -0.774 -4.303 -1.402) 4.592 6.390 ( 2.729 -0.239 -1.321) 3.041 6.711 ( -3.315 3.220 3.039) 5.531 6.775 ( 0.448 3.644 -3.713) 5.221 7.302 ( -0.040 3.291 -1.242) 3.518 7.349 ( -0.180 3.772 0.454) 3.804 ======================= Grid point 915 (456/477) ======================= q-point: (-0.07 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -2.749 -13.271 -1.776) 13.668 2.678 ( -3.877 -6.521 4.782) 8.968 2.710 ( 0.946 -6.657 -3.058) 7.386 3.037 ( 0.633 4.845 -2.729) 5.596 4.029 ( 0.885 -9.548 -1.089) 9.651 4.357 ( -2.083 1.980 1.307) 3.157 4.693 ( -1.231 -2.562 -2.936) 4.086 4.945 ( 1.564 10.416 -0.942) 10.575 5.261 ( -0.563 -5.696 -4.560) 7.318 5.495 ( 1.510 5.117 -0.657) 5.375 6.051 ( -1.050 -8.106 0.727) 8.206 6.199 ( -1.189 -0.911 0.280) 1.524 6.394 ( -0.537 -3.150 0.713) 3.274 6.408 ( 2.351 -0.450 -1.898) 3.055 6.640 ( -2.209 2.961 2.323) 4.364 6.678 ( 0.141 5.154 -3.451) 6.204 7.251 ( 0.201 1.462 -1.912) 2.415 7.280 ( -0.032 3.093 0.470) 3.129 ======================= Grid point 924 (457/477) ======================= q-point: (-0.43 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -8.300 0.000 15.281) 17.389 1.333 ( 10.844 -0.000 -17.356) 20.465 1.351 ( -6.258 0.000 11.043) 12.693 2.066 ( 6.595 -0.000 -9.713) 11.740 2.387 ( -6.163 0.000 11.692) 13.217 3.586 ( 6.061 -0.000 -9.611) 11.363 4.722 ( -1.051 0.000 1.168) 1.571 5.007 ( -4.208 0.000 4.423) 6.105 5.223 ( -0.263 0.000 1.400) 1.424 5.702 ( 2.503 -0.000 -2.973) 3.886 5.859 ( 0.732 -0.000 0.767) 1.061 6.258 ( -0.878 0.000 0.333) 0.939 6.480 ( 0.282 -0.000 -0.011) 0.282 6.497 ( 1.551 -0.000 -0.102) 1.554 6.704 ( -0.088 0.000 0.378) 0.388 6.837 ( -0.370 0.000 -0.873) 0.948 7.446 ( -0.217 0.000 0.814) 0.842 7.654 ( -0.218 0.000 1.606) 1.621 ======================= Grid point 925 (458/477) ======================= q-point: (-0.36 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -7.350 -3.848 14.236) 16.477 1.320 ( 7.247 -2.753 -10.277) 12.873 1.561 ( -3.450 -14.640 8.832) 17.442 2.123 ( 6.220 -4.018 -8.087) 10.965 2.504 ( -4.194 -12.213 8.387) 15.398 3.596 ( 6.101 -0.564 -8.605) 10.564 4.812 ( -1.109 -8.732 0.623) 8.824 4.959 ( -3.842 3.102 4.344) 6.577 5.344 ( -0.353 -10.807 1.656) 10.939 5.608 ( 2.483 9.268 -2.370) 9.883 5.859 ( 1.192 0.854 0.606) 1.587 6.237 ( -1.942 1.736 0.800) 2.725 6.427 ( 0.292 4.549 0.486) 4.584 6.463 ( 3.034 3.737 -1.423) 5.020 6.749 ( -0.163 -3.211 0.213) 3.222 6.859 ( -0.538 -1.985 -0.247) 2.072 7.462 ( -0.111 -1.192 0.872) 1.481 7.639 ( 0.143 2.223 2.102) 3.063 ======================= Grid point 926 (459/477) ======================= q-point: (-0.29 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -8.030 -14.079 11.029) 19.605 1.471 ( 7.919 -12.365 -11.954) 18.934 1.878 ( -7.489 -15.808 14.616) 22.795 2.234 ( 6.450 -7.563 -9.397) 13.679 2.860 ( -1.705 -22.988 3.901) 23.379 3.627 ( 5.608 -1.810 -6.851) 9.037 4.859 ( -4.084 3.997 3.066) 6.485 5.032 ( 0.214 -10.707 -0.488) 10.720 5.411 ( 1.874 10.085 -1.090) 10.316 5.601 ( -1.203 -14.081 1.182) 14.182 5.843 ( 1.533 1.490 0.543) 2.206 6.156 ( -2.256 5.836 0.403) 6.270 6.342 ( 0.081 3.970 0.029) 3.970 6.410 ( 4.027 2.668 -1.471) 5.049 6.794 ( -1.013 -1.494 -0.413) 1.852 6.881 ( -0.611 -0.437 -0.588) 0.954 7.479 ( -0.147 0.173 0.895) 0.923 7.585 ( 0.072 3.899 1.994) 4.380 ======================= Grid point 927 (460/477) ======================= q-point: (-0.21 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -6.391 -17.045 4.085) 18.656 1.802 ( 4.641 -20.320 -9.609) 22.951 2.132 ( -9.380 -10.527 13.486) 19.511 2.472 ( 6.341 -15.897 -9.987) 19.816 3.359 ( -2.072 -27.159 1.886) 27.303 3.687 ( 5.080 -3.235 -5.393) 8.084 4.762 ( -3.171 4.185 1.541) 5.472 5.157 ( 1.739 0.968 -2.667) 3.327 5.315 ( -0.982 -2.622 -0.240) 2.810 5.755 ( -1.495 0.538 0.312) 1.620 5.913 ( 0.365 -9.740 0.777) 9.778 6.000 ( -0.470 8.274 -1.540) 8.430 6.280 ( -0.012 2.249 -0.690) 2.352 6.396 ( 3.354 0.842 -0.488) 3.493 6.792 ( -2.340 0.605 0.231) 2.428 6.864 ( -0.405 1.212 -2.160) 2.510 7.449 ( -0.383 2.927 0.424) 2.983 7.507 ( -0.066 4.451 1.404) 4.668 ======================= Grid point 928 (461/477) ======================= q-point: (-0.14 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -4.361 -18.040 -1.573) 18.626 2.200 ( 1.114 -20.067 -5.571) 20.856 2.308 ( -7.353 -9.732 7.542) 14.341 2.791 ( 3.153 -15.208 -7.643) 17.310 3.769 ( 2.542 -4.518 -0.137) 5.186 3.865 ( -1.576 -24.196 -3.321) 24.473 4.682 ( -2.591 2.410 -0.371) 3.557 5.110 ( 1.786 1.599 -3.466) 4.214 5.351 ( -2.331 1.396 -0.665) 2.798 5.695 ( -0.363 3.907 -1.076) 4.068 5.856 ( -0.205 3.561 -0.681) 3.631 6.093 ( -0.794 -6.970 -0.866) 7.068 6.256 ( -0.284 -0.673 -1.600) 1.759 6.404 ( 3.065 0.223 -0.309) 3.089 6.751 ( -3.408 2.058 1.695) 4.327 6.820 ( -0.041 2.196 -3.521) 4.150 7.373 ( -0.457 4.233 -0.574) 4.296 7.426 ( -0.073 4.121 0.874) 4.213 ======================= Grid point 929 (462/477) ======================= q-point: (-0.07 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -3.477 -17.845 -3.610) 18.536 2.478 ( -7.014 -10.086 7.264) 14.272 2.531 ( 1.350 -13.650 -5.762) 14.877 3.005 ( 1.079 -6.968 -5.884) 9.184 3.878 ( 2.349 -6.106 -1.602) 6.735 4.230 ( -3.027 -13.848 -0.879) 14.202 4.643 ( -1.919 -0.307 -2.207) 2.941 5.100 ( 0.615 0.558 -4.410) 4.487 5.221 ( -0.660 7.404 -0.429) 7.446 5.599 ( 0.517 5.145 -1.897) 5.508 5.888 ( -1.291 -6.476 -0.045) 6.603 6.165 ( -0.850 -1.955 -0.101) 2.134 6.305 ( -0.809 -4.710 -2.546) 5.415 6.418 ( 3.322 0.049 -0.840) 3.427 6.689 ( -3.830 2.876 2.749) 5.522 6.754 ( 0.137 3.525 -3.734) 5.137 7.291 ( -0.208 3.286 -1.592) 3.657 7.350 ( -0.055 3.864 0.516) 3.898 ======================= Grid point 939 (463/477) ======================= q-point: (-0.36 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -7.099 0.000 19.518) 20.769 1.358 ( -5.529 0.000 12.152) 13.351 1.360 ( 12.321 -0.000 -15.382) 19.708 2.092 ( 7.741 -0.000 -7.874) 11.042 2.390 ( -6.347 0.000 11.230) 12.899 3.601 ( 6.789 -0.000 -8.700) 11.035 4.715 ( -1.346 0.000 1.203) 1.805 4.985 ( -4.750 0.000 4.717) 6.694 5.235 ( 0.361 -0.000 2.084) 2.115 5.716 ( 2.776 -0.000 -2.287) 3.596 5.878 ( 1.839 -0.000 0.434) 1.889 6.245 ( -1.756 0.000 0.192) 1.766 6.488 ( 0.792 -0.000 0.834) 1.150 6.516 ( 2.705 -0.000 -1.327) 3.013 6.712 ( 0.358 -0.000 1.534) 1.575 6.827 ( -0.915 0.000 0.127) 0.924 7.450 ( 0.054 -0.000 0.808) 0.810 7.673 ( 0.866 -0.000 2.855) 2.983 ======================= Grid point 940 (464/477) ======================= q-point: (-0.29 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -6.889 -1.898 17.855) 19.231 1.342 ( 7.153 -2.438 -8.419) 11.313 1.588 ( -1.628 -14.147 8.564) 16.617 2.148 ( 6.411 -3.081 -6.809) 9.847 2.510 ( -3.836 -12.572 7.808) 15.288 3.616 ( 6.557 -0.522 -7.626) 10.071 4.801 ( -1.443 -8.027 0.560) 8.175 4.944 ( -3.692 2.205 4.342) 6.112 5.353 ( -0.102 -10.172 1.889) 10.347 5.625 ( 2.608 9.267 -1.342) 9.720 5.881 ( 2.147 0.970 0.280) 2.372 6.214 ( -2.800 2.048 0.553) 3.513 6.438 ( 0.640 4.932 1.108) 5.095 6.492 ( 4.109 3.186 -2.019) 5.577 6.749 ( -0.194 -2.291 0.490) 2.351 6.850 ( -1.008 -1.985 0.356) 2.254 7.469 ( 0.182 -1.179 0.977) 1.542 7.662 ( 0.929 2.652 3.032) 4.134 ======================= Grid point 941 (465/477) ======================= q-point: (-0.21 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -7.988 -11.586 12.813) 19.032 1.484 ( 7.806 -11.385 -11.813) 18.169 1.890 ( -7.061 -14.093 14.849) 21.656 2.247 ( 6.390 -7.286 -9.472) 13.551 2.864 ( -1.397 -22.369 2.915) 22.602 3.652 ( 5.792 -1.779 -5.792) 8.382 4.835 ( -3.562 3.749 3.119) 6.039 5.027 ( -0.125 -10.114 -1.258) 10.192 5.429 ( 1.940 10.575 -0.144) 10.752 5.591 ( -1.629 -12.692 0.623) 12.811 5.869 ( 2.352 1.287 0.558) 2.739 6.128 ( -2.965 5.375 0.285) 6.145 6.344 ( 0.169 4.540 0.254) 4.550 6.451 ( 4.837 2.683 -1.567) 5.749 6.776 ( -1.394 -0.838 -0.786) 1.807 6.867 ( -1.140 -0.145 -0.546) 1.273 7.484 ( 0.040 0.467 0.880) 0.997 7.603 ( 0.416 4.502 2.596) 5.213 ======================= Grid point 942 (466/477) ======================= q-point: (-0.14 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -6.676 -15.921 4.374) 17.810 1.789 ( 4.676 -19.143 -10.794) 22.468 2.112 ( -9.531 -9.292 13.763) 19.147 2.477 ( 5.936 -15.177 -10.395) 19.329 3.341 ( -2.006 -26.116 0.143) 26.193 3.714 ( 4.943 -3.067 -4.171) 7.158 4.739 ( -2.619 4.544 1.529) 5.463 5.158 ( 1.396 -0.486 -2.962) 3.310 5.300 ( -1.057 0.261 -0.635) 1.260 5.732 ( -2.239 -1.118 -0.823) 2.635 5.925 ( 0.820 -6.973 0.746) 7.061 5.982 ( -1.198 7.575 -0.898) 7.721 6.275 ( 0.030 2.489 -0.785) 2.610 6.436 ( 4.080 1.263 -0.546) 4.306 6.763 ( -2.675 0.724 -0.213) 2.779 6.843 ( -0.956 1.381 -2.196) 2.765 7.447 ( -0.350 3.346 0.191) 3.370 7.517 ( 0.064 4.867 1.723) 5.163 ======================= Grid point 943 (467/477) ======================= q-point: (-0.07 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -4.713 -17.721 -1.999) 18.446 2.171 ( 1.396 -20.188 -7.602) 21.617 2.273 ( -8.024 -9.287 8.738) 15.066 2.774 ( 2.891 -14.378 -8.329) 16.866 3.795 ( 1.038 -4.845 1.424) 5.156 3.824 ( -0.387 -22.971 -5.601) 23.647 4.652 ( -2.027 2.872 -0.493) 3.550 5.106 ( 1.538 2.481 -3.510) 4.565 5.316 ( -2.539 0.625 -1.571) 3.051 5.681 ( -0.920 3.682 -1.141) 3.963 5.848 ( -0.548 3.564 -0.428) 3.631 6.075 ( -1.079 -6.852 -1.470) 7.090 6.243 ( -0.117 0.132 -1.538) 1.548 6.440 ( 3.574 0.468 -0.353) 3.621 6.721 ( -3.595 1.871 1.448) 4.304 6.795 ( -0.461 2.101 -3.338) 3.971 7.363 ( -0.517 4.484 -0.778) 4.581 7.432 ( 0.041 4.329 0.923) 4.427 ======================= Grid point 954 (468/477) ======================= q-point: (-0.29 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -6.790 0.000 21.665) 22.704 1.379 ( -4.726 0.000 12.484) 13.348 1.414 ( 13.354 -0.000 -13.556) 19.029 2.138 ( 8.246 -0.000 -6.321) 10.390 2.388 ( -6.580 0.000 11.232) 13.017 3.626 ( 6.940 -0.000 -7.986) 10.580 4.707 ( -1.437 0.000 1.316) 1.948 4.963 ( -4.353 0.000 4.741) 6.436 5.256 ( 0.708 -0.000 2.521) 2.619 5.735 ( 2.576 -0.000 -1.479) 2.970 5.905 ( 2.669 -0.000 -0.180) 2.675 6.221 ( -2.535 0.000 0.016) 2.535 6.508 ( 1.229 -0.000 1.542) 1.971 6.541 ( 3.692 -0.000 -2.204) 4.300 6.731 ( 0.671 -0.000 2.361) 2.455 6.817 ( -1.540 0.000 0.852) 1.760 7.459 ( 0.383 -0.000 1.034) 1.103 7.708 ( 1.630 -0.000 3.371) 3.744 ======================= Grid point 955 (469/477) ======================= q-point: (-0.21 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -6.820 0.043 19.937) 21.072 1.373 ( 6.708 -1.852 -6.520) 9.536 1.631 ( 0.147 -13.166 7.258) 15.035 2.178 ( 5.770 -1.573 -5.426) 8.075 2.518 ( -3.253 -13.003 7.211) 15.220 3.644 ( 6.461 -0.557 -7.022) 9.559 4.789 ( -1.330 -7.388 0.653) 7.536 4.932 ( -3.143 1.560 3.986) 5.310 5.365 ( -0.009 -9.135 2.044) 9.361 5.648 ( 2.342 9.069 -0.373) 9.375 5.910 ( 2.747 0.996 -0.305) 2.937 6.182 ( -3.248 2.305 0.359) 3.999 6.455 ( 0.848 5.562 1.567) 5.841 6.528 ( 4.687 2.535 -2.387) 5.839 6.751 ( -0.243 -0.865 0.765) 1.180 6.840 ( -1.471 -1.858 0.689) 2.468 7.479 ( 0.464 -1.096 1.226) 1.709 7.695 ( 1.316 3.205 3.234) 4.740 ======================= Grid point 956 (470/477) ======================= q-point: (-0.14 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 884 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -7.635 -8.564 14.345) 18.369 1.498 ( 7.892 -9.962 -11.390) 17.066 1.906 ( -6.764 -12.045 14.705) 20.176 2.256 ( 5.956 -6.833 -9.640) 13.232 2.866 ( -1.203 -21.391 2.324) 21.550 3.681 ( 5.593 -1.819 -5.443) 8.014 4.821 ( -2.374 3.801 3.080) 5.438 5.013 ( -0.626 -9.593 -1.868) 9.794 5.452 ( 1.780 11.153 0.616) 11.311 5.573 ( -1.835 -10.793 0.291) 10.952 5.901 ( 2.661 0.974 0.340) 2.854 6.095 ( -3.157 4.952 0.337) 5.882 6.349 ( 0.203 5.242 0.433) 5.264 6.497 ( 4.945 2.569 -1.663) 5.816 6.754 ( -1.472 0.023 -0.758) 1.655 6.848 ( -1.640 0.248 -0.558) 1.750 7.491 ( 0.159 0.925 0.956) 1.340 7.625 ( 0.514 5.165 2.618) 5.813 ======================= Grid point 957 (471/477) ======================= q-point: (-0.07 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -6.336 -14.118 5.149) 16.309 1.774 ( 4.997 -17.640 -11.050) 21.407 2.092 ( -9.438 -7.964 13.625) 18.389 2.474 ( 5.310 -14.419 -10.635) 18.687 3.317 ( -2.201 -24.777 -0.117) 24.875 3.743 ( 4.829 -3.020 -4.281) 7.125 4.724 ( -1.649 5.085 1.438) 5.536 5.150 ( 0.663 -2.826 -3.249) 4.357 5.285 ( -0.795 4.185 -0.533) 4.293 5.696 ( -2.716 -2.282 -1.484) 3.845 5.939 ( 0.467 -3.464 1.193) 3.693 5.963 ( -0.926 5.992 -0.798) 6.115 6.271 ( 0.103 2.735 -0.686) 2.822 6.478 ( 4.047 1.533 -0.744) 4.391 6.732 ( -2.516 0.917 -0.108) 2.680 6.815 ( -1.389 1.476 -2.075) 2.901 7.444 ( -0.338 3.866 0.166) 3.884 7.529 ( 0.131 5.271 1.622) 5.517 ======================= Grid point 969 (472/477) ======================= q-point: (-0.21 -0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -7.022 0.000 20.944) 22.090 1.408 ( -4.074 0.000 12.047) 12.717 1.487 ( 13.603 -0.000 -11.677) 17.928 2.194 ( 8.073 -0.000 -5.392) 9.708 2.385 ( -6.773 0.000 11.689) 13.509 3.653 ( 6.565 -0.000 -7.585) 10.032 4.700 ( -1.341 0.000 1.458) 1.981 4.949 ( -3.281 0.000 4.556) 5.614 5.282 ( 0.748 -0.000 2.652) 2.756 5.754 ( 1.905 -0.000 -0.637) 2.009 5.934 ( 2.996 -0.000 -1.032) 3.169 6.189 ( -2.806 0.000 -0.132) 2.809 6.535 ( 1.501 -0.000 1.961) 2.469 6.571 ( 4.262 -0.000 -2.589) 4.987 6.755 ( 0.792 -0.000 2.704) 2.818 6.802 ( -2.150 0.000 1.158) 2.442 7.472 ( 0.668 -0.000 1.344) 1.501 7.749 ( 1.766 -0.000 3.181) 3.638 ======================= Grid point 970 (473/477) ======================= q-point: (-0.14 -0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -7.056 1.178 19.853) 21.102 1.410 ( 6.122 -1.322 -4.604) 7.773 1.681 ( 1.495 -11.782 5.222) 12.974 2.206 ( 4.434 0.155 -4.049) 6.007 2.528 ( -2.586 -13.273 6.510) 15.008 3.671 ( 6.033 -0.643 -6.884) 9.176 4.780 ( -0.993 -7.188 0.687) 7.289 4.924 ( -2.388 1.654 3.620) 4.641 5.378 ( -0.031 -7.966 2.085) 8.234 5.672 ( 1.738 8.655 0.425) 8.838 5.937 ( 2.747 0.912 -1.058) 3.082 6.148 ( -3.071 2.459 0.279) 3.944 6.476 ( 0.891 6.321 1.710) 6.608 6.566 ( 4.597 2.027 -2.457) 5.592 6.754 ( -0.266 0.582 1.026) 1.209 6.826 ( -1.736 -1.568 0.679) 2.436 7.494 ( 0.618 -0.916 1.411) 1.792 7.730 ( 1.140 3.729 2.918) 4.870 ======================= Grid point 971 (474/477) ======================= q-point: (-0.07 -0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -7.212 -5.877 14.925) 17.587 1.519 ( 8.164 -8.394 -10.791) 15.923 1.923 ( -6.661 -9.992 14.375) 18.731 2.258 ( 5.215 -6.282 -9.837) 12.784 2.866 ( -1.260 -20.252 2.133) 20.403 3.707 ( 5.349 -1.911 -5.778) 8.102 4.821 ( -1.145 4.090 2.970) 5.183 4.990 ( -1.106 -9.152 -2.088) 9.452 5.475 ( 1.302 11.632 1.111) 11.758 5.555 ( -1.633 -8.726 0.207) 8.880 5.931 ( 2.339 0.604 -0.061) 2.417 6.064 ( -2.732 4.600 0.468) 5.370 6.354 ( 0.218 5.942 0.528) 5.970 6.538 ( 4.089 2.442 -1.747) 5.073 6.737 ( -0.929 0.894 -0.277) 1.319 6.823 ( -1.977 0.651 -0.664) 2.185 7.499 ( 0.160 1.460 0.983) 1.767 7.646 ( 0.350 5.714 2.286) 6.164 ======================= Grid point 984 (475/477) ======================= q-point: (-0.14 -0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 477 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -7.096 0.000 18.393) 19.714 1.438 ( -3.696 0.000 11.056) 11.657 1.568 ( 12.951 -0.000 -10.486) 16.664 2.248 ( 7.338 -0.000 -5.211) 9.000 2.384 ( -6.975 0.000 12.361) 14.193 3.676 ( 6.027 -0.000 -7.544) 9.656 4.696 ( -1.136 0.000 1.551) 1.922 4.947 ( -2.085 0.000 4.173) 4.665 5.306 ( 0.530 -0.000 2.499) 2.555 5.768 ( 0.944 -0.000 0.207) 0.966 5.957 ( 2.675 -0.000 -1.867) 3.262 6.158 ( -2.349 0.000 -0.197) 2.357 6.565 ( 1.514 -0.000 1.941) 2.462 6.603 ( 4.051 -0.000 -2.413) 4.715 6.781 ( 0.725 -0.000 2.547) 2.648 6.783 ( -2.330 0.000 0.971) 2.524 7.490 ( 0.771 -0.000 1.481) 1.670 7.785 ( 1.176 -0.000 2.684) 2.931 ======================= Grid point 985 (476/477) ======================= q-point: (-0.07 -0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 882 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -7.194 1.487 18.006) 19.447 1.452 ( 5.321 -1.192 -3.036) 6.241 1.728 ( 2.224 -10.218 2.756) 10.815 2.225 ( 2.778 1.790 -2.771) 4.312 2.541 ( -2.157 -13.242 5.662) 14.562 3.692 ( 5.668 -0.753 -7.189) 9.185 4.774 ( -0.769 -7.234 0.688) 7.307 4.924 ( -1.625 2.264 3.278) 4.302 5.390 ( -0.175 -6.943 1.982) 7.222 5.692 ( 0.954 8.091 0.964) 8.204 5.956 ( 2.109 0.753 -1.676) 2.797 6.119 ( -2.221 2.551 0.275) 3.393 6.496 ( 0.759 7.025 1.505) 7.224 6.598 ( 3.392 1.865 -2.096) 4.402 6.759 ( 0.036 1.297 1.075) 1.685 6.810 ( -1.493 -0.856 0.337) 1.754 7.510 ( 0.565 -0.668 1.355) 1.614 7.756 ( 0.475 4.075 2.452) 4.779 ======================= Grid point 1000 (477/477) ======================= q-point: (-0.07 -0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 0.00e+00 0.00e+00 2.84e-04 2.84e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -6.783 0.000 15.608) 17.018 1.464 ( -3.611 0.000 9.783) 10.428 1.641 ( 11.683 -0.000 -10.923) 15.994 2.291 ( 6.229 -0.000 -5.716) 8.454 2.384 ( -7.315 0.000 12.938) 14.863 3.693 ( 5.715 -0.000 -7.874) 9.729 4.694 ( -0.899 0.000 1.542) 1.785 4.953 ( -1.302 0.000 3.598) 3.826 5.324 ( 0.129 -0.000 2.119) 2.123 5.777 ( 0.015 -0.000 0.940) 0.941 5.969 ( 1.766 -0.000 -2.313) 2.910 6.136 ( -1.247 0.000 -0.228) 1.267 6.592 ( 1.226 -0.000 1.422) 1.878 6.627 ( 1.986 -0.000 -1.332) 2.391 6.766 ( -0.868 0.000 -0.006) 0.869 6.803 ( 0.517 -0.000 1.973) 2.039 7.507 ( 0.618 -0.000 1.272) 1.414 7.808 ( 0.117 -0.000 2.281) 2.284 =================== 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 3/31752 10.0 81.684 125.918 168.855 0.000 -57.037 0.000 3/31752 20.0 47.856 146.680 117.472 0.000 -52.319 0.000 3/31752 30.0 36.214 141.538 91.591 -0.000 -43.196 0.000 3/31752 40.0 27.367 117.203 69.255 -0.000 -33.199 0.000 3/31752 50.0 20.721 92.254 52.051 -0.000 -25.035 0.000 3/31752 60.0 16.126 73.225 40.198 -0.000 -19.311 0.000 3/31752 70.0 12.995 59.684 32.189 -0.000 -15.427 0.000 3/31752 80.0 10.814 50.013 26.648 -0.000 -12.741 0.000 3/31752 90.0 9.239 42.927 22.676 -0.000 -10.818 0.000 3/31752 100.0 8.063 37.574 19.723 -0.000 -9.393 0.000 3/31752 110.0 7.155 33.415 17.455 -0.000 -8.301 0.000 3/31752 120.0 6.435 30.099 15.665 -0.000 -7.440 0.000 3/31752 130.0 5.851 27.397 14.217 -0.000 -6.746 0.000 3/31752 140.0 5.368 25.155 13.022 -0.000 -6.174 0.000 3/31752 150.0 4.961 23.263 12.020 -0.000 -5.695 0.000 3/31752 160.0 4.614 21.646 11.166 -0.000 -5.288 0.000 3/31752 170.0 4.314 20.246 10.431 -0.000 -4.937 0.000 3/31752 180.0 4.052 19.022 9.789 -0.000 -4.631 0.000 3/31752 190.0 3.821 17.943 9.225 -0.000 -4.363 0.000 3/31752 200.0 3.617 16.984 8.725 -0.000 -4.125 0.000 3/31752 210.0 3.433 16.125 8.278 -0.000 -3.913 0.000 3/31752 220.0 3.268 15.351 7.876 -0.000 -3.722 0.000 3/31752 230.0 3.119 14.651 7.512 -0.000 -3.549 0.000 3/31752 240.0 2.983 14.013 7.182 -0.000 -3.393 0.000 3/31752 250.0 2.858 13.430 6.880 -0.000 -3.250 0.000 3/31752 260.0 2.744 12.894 6.603 -0.000 -3.118 0.000 3/31752 270.0 2.639 12.401 6.349 -0.000 -2.998 0.000 3/31752 280.0 2.542 11.945 6.113 -0.000 -2.886 0.000 3/31752 290.0 2.452 11.522 5.895 -0.000 -2.783 0.000 3/31752 300.0 2.368 11.128 5.692 -0.000 -2.687 0.000 3/31752 310.0 2.290 10.761 5.503 -0.000 -2.598 0.000 3/31752 320.0 2.217 10.418 5.327 -0.000 -2.514 0.000 3/31752 330.0 2.149 10.096 5.162 -0.000 -2.436 0.000 3/31752 340.0 2.084 9.794 5.006 -0.000 -2.363 0.000 3/31752 350.0 2.024 9.510 4.860 -0.000 -2.294 0.000 3/31752 360.0 1.967 9.242 4.723 -0.000 -2.229 0.000 3/31752 370.0 1.913 8.989 4.593 -0.000 -2.167 0.000 3/31752 380.0 1.862 8.750 4.470 -0.000 -2.109 0.000 3/31752 390.0 1.814 8.523 4.354 -0.000 -2.054 0.000 3/31752 400.0 1.768 8.308 4.243 -0.000 -2.002 0.000 3/31752 410.0 1.725 8.104 4.139 -0.000 -1.953 0.000 3/31752 420.0 1.683 7.909 4.039 -0.000 -1.905 0.000 3/31752 430.0 1.644 7.724 3.944 -0.000 -1.861 0.000 3/31752 440.0 1.606 7.547 3.854 -0.000 -1.818 0.000 3/31752 450.0 1.570 7.378 3.767 -0.000 -1.777 0.000 3/31752 460.0 1.536 7.217 3.685 -0.000 -1.738 0.000 3/31752 470.0 1.503 7.063 3.606 -0.000 -1.701 0.000 3/31752 480.0 1.472 6.915 3.530 -0.000 -1.665 0.000 3/31752 490.0 1.442 6.773 3.457 -0.000 -1.631 0.000 3/31752 500.0 1.413 6.637 3.388 -0.000 -1.598 0.000 3/31752 510.0 1.385 6.507 3.321 -0.000 -1.567 0.000 3/31752 520.0 1.358 6.381 3.257 -0.000 -1.536 0.000 3/31752 530.0 1.333 6.261 3.195 -0.000 -1.507 0.000 3/31752 540.0 1.308 6.145 3.136 -0.000 -1.479 0.000 3/31752 550.0 1.284 6.033 3.078 -0.000 -1.452 0.000 3/31752 560.0 1.261 5.925 3.023 -0.000 -1.426 0.000 3/31752 570.0 1.239 5.821 2.970 -0.000 -1.401 0.000 3/31752 580.0 1.218 5.720 2.919 -0.000 -1.377 0.000 3/31752 590.0 1.197 5.623 2.869 -0.000 -1.353 0.000 3/31752 600.0 1.177 5.530 2.821 -0.000 -1.331 0.000 3/31752 610.0 1.158 5.439 2.775 -0.000 -1.309 0.000 3/31752 620.0 1.139 5.351 2.730 -0.000 -1.288 0.000 3/31752 630.0 1.121 5.266 2.687 -0.000 -1.267 0.000 3/31752 640.0 1.103 5.184 2.645 -0.000 -1.247 0.000 3/31752 650.0 1.086 5.104 2.604 -0.000 -1.228 0.000 3/31752 660.0 1.070 5.027 2.564 -0.000 -1.209 0.000 3/31752 670.0 1.054 4.952 2.526 -0.000 -1.191 0.000 3/31752 680.0 1.039 4.879 2.489 -0.000 -1.174 0.000 3/31752 690.0 1.024 4.809 2.453 -0.000 -1.157 0.000 3/31752 700.0 1.009 4.740 2.418 -0.000 -1.140 0.000 3/31752 710.0 0.995 4.673 2.384 -0.000 -1.124 0.000 3/31752 720.0 0.981 4.608 2.351 -0.000 -1.109 0.000 3/31752 730.0 0.968 4.545 2.318 -0.000 -1.093 0.000 3/31752 740.0 0.955 4.484 2.287 -0.000 -1.079 0.000 3/31752 750.0 0.942 4.424 2.257 -0.000 -1.064 0.000 3/31752 760.0 0.929 4.366 2.227 -0.000 -1.050 0.000 3/31752 770.0 0.917 4.310 2.198 -0.000 -1.037 0.000 3/31752 780.0 0.906 4.255 2.170 -0.000 -1.023 0.000 3/31752 790.0 0.894 4.201 2.143 -0.000 -1.010 0.000 3/31752 800.0 0.883 4.148 2.116 -0.000 -0.998 0.000 3/31752 810.0 0.872 4.097 2.090 -0.000 -0.985 0.000 3/31752 820.0 0.862 4.047 2.064 -0.000 -0.973 0.000 3/31752 830.0 0.851 3.999 2.039 -0.000 -0.962 0.000 3/31752 840.0 0.841 3.951 2.015 -0.000 -0.950 0.000 3/31752 850.0 0.831 3.905 1.991 -0.000 -0.939 0.000 3/31752 860.0 0.822 3.860 1.968 -0.000 -0.928 0.000 3/31752 870.0 0.812 3.815 1.946 -0.000 -0.918 0.000 3/31752 880.0 0.803 3.772 1.924 -0.000 -0.907 0.000 3/31752 890.0 0.794 3.730 1.902 -0.000 -0.897 0.000 3/31752 900.0 0.785 3.688 1.881 -0.000 -0.887 0.000 3/31752 910.0 0.777 3.648 1.860 -0.000 -0.877 0.000 3/31752 920.0 0.768 3.608 1.840 -0.000 -0.868 0.000 3/31752 930.0 0.760 3.570 1.820 -0.000 -0.858 0.000 3/31752 940.0 0.752 3.532 1.801 -0.000 -0.849 0.000 3/31752 950.0 0.744 3.495 1.782 -0.000 -0.840 0.000 3/31752 960.0 0.736 3.458 1.764 -0.000 -0.832 0.000 3/31752 970.0 0.729 3.423 1.745 -0.000 -0.823 0.000 3/31752 980.0 0.721 3.388 1.728 -0.000 -0.815 0.000 3/31752 990.0 0.714 3.354 1.710 -0.000 -0.807 0.000 3/31752 1000.0 0.707 3.320 1.693 -0.000 -0.799 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m14149.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:15:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|