----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:38:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.417769985028755 -5.891837770000000 0.000000000000000 b 3.417769985028755 5.891837770000000 0.000000000000000 c -2.300570237839497 0.000000000000000 7.026218347205230 Atomic positions (fractional): *1 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 *2 Ca 0.82435242256411 0.17564757743589 0.50000000000000 40.078 3 Ca 0.17564757743589 0.82435242256411 0.50000000000000 40.078 *4 Ca 0.33479228085697 0.66520771914303 0.00000000000000 40.078 5 Ca 0.66520771914303 0.33479228085697 0.00000000000000 40.078 *6 P 0.22479424393606 0.22479424393606 0.75603354951336 30.974 7 P 0.77520575606394 0.77520575606394 0.24396645048664 30.974 *8 P 0.61298878899031 0.92109682536029 0.76011402193691 30.974 9 P 0.07890317463971 0.38701121100969 0.23988597806309 30.974 10 P 0.38701121100969 0.07890317463971 0.23988597806309 30.974 11 P 0.92109682536029 0.61298878899031 0.76011402193691 30.974 *12 P 0.94730012965761 0.94730012965761 0.83535644328762 30.974 13 P 0.05269987034239 0.05269987034239 0.16464355671238 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.835539970057511 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783675540000001 0.000000000000000 c -2.300570237839497 0.000000000000000 7.026218347205230 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 *2 Ca 0.50000000000000 0.67564757743589 0.50000000000000 40.078 > 2 3 Ca 0.50000000000000 0.32435242256411 0.50000000000000 40.078 > 3 *4 Ca 0.50000000000000 0.16520771914303 0.00000000000000 40.078 > 4 5 Ca 0.50000000000000 0.83479228085697 0.00000000000000 40.078 > 5 6 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 1 7 Ca 0.00000000000000 0.17564757743589 0.50000000000000 40.078 > 2 8 Ca 0.00000000000000 0.82435242256411 0.50000000000000 40.078 > 3 9 Ca 0.00000000000000 0.66520771914303 0.00000000000000 40.078 > 4 10 Ca 0.00000000000000 0.33479228085697 0.00000000000000 40.078 > 5 *11 P 0.22479424393606 0.00000000000000 0.75603354951336 30.974 > 6 12 P 0.77520575606394 0.00000000000000 0.24396645048664 30.974 > 7 *13 P 0.76704280717530 0.15405401818499 0.76011402193691 30.974 > 8 14 P 0.23295719282470 0.15405401818499 0.23988597806309 30.974 > 9 15 P 0.23295719282470 0.84594598181501 0.23988597806309 30.974 > 10 16 P 0.76704280717530 0.84594598181501 0.76011402193691 30.974 > 11 *17 P 0.94730012965761 0.00000000000000 0.83535644328762 30.974 > 12 18 P 0.05269987034239 0.00000000000000 0.16464355671238 30.974 > 13 19 P 0.72479424393606 0.50000000000000 0.75603354951336 30.974 > 6 20 P 0.27520575606394 0.50000000000000 0.24396645048664 30.974 > 7 21 P 0.26704280717530 0.65405401818499 0.76011402193691 30.974 > 8 22 P 0.73295719282470 0.65405401818499 0.23988597806309 30.974 > 9 23 P 0.73295719282470 0.34594598181501 0.23988597806309 30.974 > 10 24 P 0.26704280717530 0.34594598181501 0.76011402193691 30.974 > 11 25 P 0.44730012965761 0.50000000000000 0.83535644328762 30.974 > 12 26 P 0.55269987034239 0.50000000000000 0.16464355671238 30.974 > 13 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.671079940115021 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783675540000001 0.000000000000000 c -4.601140475678994 0.000000000000000 14.052436694410460 Atomic positions (fractional): *1 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 1 2 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 1 3 Ca 0.25000000000000 0.00000000000000 0.75000000000000 40.078 > 1 4 Ca 0.75000000000000 0.00000000000000 0.75000000000000 40.078 > 1 *5 Ca 0.25000000000000 0.67564757743589 0.25000000000000 40.078 > 2 6 Ca 0.75000000000000 0.67564757743589 0.25000000000000 40.078 > 2 7 Ca 0.25000000000000 0.67564757743589 0.75000000000000 40.078 > 2 8 Ca 0.75000000000000 0.67564757743589 0.75000000000000 40.078 > 2 9 Ca 0.25000000000000 0.32435242256411 0.25000000000000 40.078 > 3 10 Ca 0.75000000000000 0.32435242256411 0.25000000000000 40.078 > 3 11 Ca 0.25000000000000 0.32435242256411 0.75000000000000 40.078 > 3 12 Ca 0.75000000000000 0.32435242256411 0.75000000000000 40.078 > 3 *13 Ca 0.25000000000000 0.16520771914303 0.00000000000000 40.078 > 4 14 Ca 0.75000000000000 0.16520771914303 0.00000000000000 40.078 > 4 15 Ca 0.25000000000000 0.16520771914303 0.50000000000000 40.078 > 4 16 Ca 0.75000000000000 0.16520771914303 0.50000000000000 40.078 > 4 17 Ca 0.25000000000000 0.83479228085697 0.00000000000000 40.078 > 5 18 Ca 0.75000000000000 0.83479228085697 0.00000000000000 40.078 > 5 19 Ca 0.25000000000000 0.83479228085697 0.50000000000000 40.078 > 5 20 Ca 0.75000000000000 0.83479228085697 0.50000000000000 40.078 > 5 21 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 1 22 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 1 23 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 1 24 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 1 25 Ca 0.00000000000000 0.17564757743589 0.25000000000000 40.078 > 2 26 Ca 0.50000000000000 0.17564757743589 0.25000000000000 40.078 > 2 27 Ca 0.00000000000000 0.17564757743589 0.75000000000000 40.078 > 2 28 Ca 0.50000000000000 0.17564757743589 0.75000000000000 40.078 > 2 29 Ca 0.00000000000000 0.82435242256411 0.25000000000000 40.078 > 3 30 Ca 0.50000000000000 0.82435242256411 0.25000000000000 40.078 > 3 31 Ca 0.00000000000000 0.82435242256411 0.75000000000000 40.078 > 3 32 Ca 0.50000000000000 0.82435242256411 0.75000000000000 40.078 > 3 33 Ca 0.00000000000000 0.66520771914303 0.00000000000000 40.078 > 4 34 Ca 0.50000000000000 0.66520771914303 0.00000000000000 40.078 > 4 35 Ca 0.00000000000000 0.66520771914303 0.50000000000000 40.078 > 4 36 Ca 0.50000000000000 0.66520771914303 0.50000000000000 40.078 > 4 37 Ca 0.00000000000000 0.33479228085697 0.00000000000000 40.078 > 5 38 Ca 0.50000000000000 0.33479228085697 0.00000000000000 40.078 > 5 39 Ca 0.00000000000000 0.33479228085697 0.50000000000000 40.078 > 5 40 Ca 0.50000000000000 0.33479228085697 0.50000000000000 40.078 > 5 *41 P 0.11239712196803 0.00000000000000 0.37801677475668 30.974 > 6 42 P 0.61239712196803 0.00000000000000 0.37801677475668 30.974 > 6 43 P 0.11239712196803 0.00000000000000 0.87801677475668 30.974 > 6 44 P 0.61239712196803 0.00000000000000 0.87801677475668 30.974 > 6 45 P 0.38760287803197 0.00000000000000 0.12198322524332 30.974 > 7 46 P 0.88760287803197 0.00000000000000 0.12198322524332 30.974 > 7 47 P 0.38760287803197 0.00000000000000 0.62198322524332 30.974 > 7 48 P 0.88760287803197 0.00000000000000 0.62198322524332 30.974 > 7 *49 P 0.38352140358765 0.15405401818499 0.38005701096845 30.974 > 8 50 P 0.88352140358765 0.15405401818499 0.38005701096845 30.974 > 8 51 P 0.38352140358765 0.15405401818499 0.88005701096845 30.974 > 8 52 P 0.88352140358765 0.15405401818499 0.88005701096845 30.974 > 8 53 P 0.11647859641235 0.15405401818499 0.11994298903155 30.974 > 9 54 P 0.61647859641235 0.15405401818499 0.11994298903155 30.974 > 9 55 P 0.11647859641235 0.15405401818499 0.61994298903155 30.974 > 9 56 P 0.61647859641235 0.15405401818499 0.61994298903155 30.974 > 9 57 P 0.11647859641235 0.84594598181501 0.11994298903155 30.974 > 10 58 P 0.61647859641235 0.84594598181501 0.11994298903155 30.974 > 10 59 P 0.11647859641235 0.84594598181501 0.61994298903155 30.974 > 10 60 P 0.61647859641235 0.84594598181501 0.61994298903155 30.974 > 10 61 P 0.38352140358765 0.84594598181501 0.38005701096845 30.974 > 11 62 P 0.88352140358765 0.84594598181501 0.38005701096845 30.974 > 11 63 P 0.38352140358765 0.84594598181501 0.88005701096845 30.974 > 11 64 P 0.88352140358765 0.84594598181501 0.88005701096845 30.974 > 11 *65 P 0.47365006482880 0.00000000000000 0.41767822164381 30.974 > 12 66 P 0.97365006482880 0.00000000000000 0.41767822164381 30.974 > 12 67 P 0.47365006482880 0.00000000000000 0.91767822164381 30.974 > 12 68 P 0.97365006482880 0.00000000000000 0.91767822164381 30.974 > 12 69 P 0.02634993517120 0.00000000000000 0.08232177835619 30.974 > 13 70 P 0.52634993517120 0.00000000000000 0.08232177835619 30.974 > 13 71 P 0.02634993517120 0.00000000000000 0.58232177835619 30.974 > 13 72 P 0.52634993517120 0.00000000000000 0.58232177835619 30.974 > 13 73 P 0.36239712196803 0.50000000000000 0.37801677475668 30.974 > 6 74 P 0.86239712196803 0.50000000000000 0.37801677475668 30.974 > 6 75 P 0.36239712196803 0.50000000000000 0.87801677475668 30.974 > 6 76 P 0.86239712196803 0.50000000000000 0.87801677475668 30.974 > 6 77 P 0.13760287803197 0.50000000000000 0.12198322524332 30.974 > 7 78 P 0.63760287803197 0.50000000000000 0.12198322524332 30.974 > 7 79 P 0.13760287803197 0.50000000000000 0.62198322524332 30.974 > 7 80 P 0.63760287803197 0.50000000000000 0.62198322524332 30.974 > 7 81 P 0.13352140358765 0.65405401818499 0.38005701096845 30.974 > 8 82 P 0.63352140358765 0.65405401818499 0.38005701096845 30.974 > 8 83 P 0.13352140358765 0.65405401818499 0.88005701096845 30.974 > 8 84 P 0.63352140358765 0.65405401818499 0.88005701096845 30.974 > 8 85 P 0.36647859641235 0.65405401818499 0.11994298903155 30.974 > 9 86 P 0.86647859641235 0.65405401818499 0.11994298903155 30.974 > 9 87 P 0.36647859641235 0.65405401818499 0.61994298903155 30.974 > 9 88 P 0.86647859641235 0.65405401818499 0.61994298903155 30.974 > 9 89 P 0.36647859641235 0.34594598181501 0.11994298903155 30.974 > 10 90 P 0.86647859641235 0.34594598181501 0.11994298903155 30.974 > 10 91 P 0.36647859641235 0.34594598181501 0.61994298903155 30.974 > 10 92 P 0.86647859641235 0.34594598181501 0.61994298903155 30.974 > 10 93 P 0.13352140358765 0.34594598181501 0.38005701096845 30.974 > 11 94 P 0.63352140358765 0.34594598181501 0.38005701096845 30.974 > 11 95 P 0.13352140358765 0.34594598181501 0.88005701096845 30.974 > 11 96 P 0.63352140358765 0.34594598181501 0.88005701096845 30.974 > 11 97 P 0.22365006482880 0.50000000000000 0.41767822164381 30.974 > 12 98 P 0.72365006482880 0.50000000000000 0.41767822164381 30.974 > 12 99 P 0.22365006482880 0.50000000000000 0.91767822164381 30.974 > 12 100 P 0.72365006482880 0.50000000000000 0.91767822164381 30.974 > 12 101 P 0.27634993517120 0.50000000000000 0.08232177835619 30.974 > 13 102 P 0.77634993517120 0.50000000000000 0.08232177835619 30.974 > 13 103 P 0.27634993517120 0.50000000000000 0.58232177835619 30.974 > 13 104 P 0.77634993517120 0.50000000000000 0.58232177835619 30.974 > 13 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4396870 0.0000000 0.0011735 0.0000000 10.3550538 0.0000000 0.0011728 0.0000000 9.6510768 -------------------------- Born effective charges -------------------------- 1 Ca 3.4259734 0.0000000 -0.1515917 0.0000000 1.2507812 0.0000000 -0.0045044 0.0000000 2.9588363 2 Ca 1.8058025 0.0000000 0.1462360 0.0000000 2.8238478 0.0000000 0.0431359 0.0000000 2.9216026 3 Ca 1.8058025 0.0000000 0.1462360 0.0000000 2.8238478 0.0000000 0.0431359 0.0000000 2.9216026 4 Ca 2.4205524 0.0000000 0.0433927 0.0000000 2.3884676 0.0000000 -0.0016107 0.0000000 1.7427699 5 Ca 2.4205524 0.0000000 0.0433927 0.0000000 2.3884676 0.0000000 -0.0016107 0.0000000 1.7427699 6 P -3.2953270 0.0000000 0.4077740 0.0000000 -2.2575289 0.0000000 0.5816897 0.0000000 -2.3777687 7 P -3.2953270 0.0000000 0.4077740 0.0000000 -2.2575289 0.0000000 0.5816897 0.0000000 -2.3777687 8 P -2.5841772 0.4880415 -0.2102193 0.4457483 -2.9903175 0.4101749 -0.2953185 0.4662258 -2.4335870 9 P -2.5841772 -0.4880415 -0.2102193 -0.4457483 -2.9903175 -0.4101749 -0.2953185 -0.4662258 -2.4335870 10 P -2.5841772 0.4880415 -0.2102193 0.4457483 -2.9903175 0.4101749 -0.2953185 0.4662258 -2.4335870 11 P -2.5841772 -0.4880415 -0.2102193 -0.4457483 -2.9903175 -0.4101749 -0.2953185 -0.4662258 -2.4335870 12 P 2.5243399 0.0000000 -0.1011683 0.0000000 2.4004579 0.0000000 -0.0303258 0.0000000 1.1011520 13 P 2.5243399 0.0000000 -0.1011683 0.0000000 2.4004579 0.0000000 -0.0303258 0.0000000 1.1011520 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 7842/7842 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1674 Number of blocks in projector: 1674 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: 402 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1674, 1641), data: False |-- (240, 234), data: True |-- (240, 234), data: True |-- (240, 234), data: True |-- (276, 274), data: True |-- (276, 274), data: True |-- (402, 391), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.544 Solver_block: 200 / 400 - Time: 0.498 Solver_block: 300 / 400 - Time: 0.497 Solver_block: 400 / 400 - Time: 0.498 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.078 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 7842/7842 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1674 Number of blocks in projector: 1674 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: 402 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1674, 1641), data: False |-- (240, 234), data: True |-- (240, 234), data: True |-- (240, 234), data: True |-- (276, 274), data: True |-- (276, 274), data: True |-- (402, 391), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:38:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:38:54]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.417769985028755 -5.891837770000000 0.000000000000000 b 3.417769985028755 5.891837770000000 0.000000000000000 c -2.300570237839497 0.000000000000000 7.026218347205230 Atomic positions (fractional): 1 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 2 Ca 0.82435242256411 0.17564757743589 0.50000000000000 40.078 3 Ca 0.17564757743589 0.82435242256411 0.50000000000000 40.078 4 Ca 0.33479228085697 0.66520771914303 0.00000000000000 40.078 5 Ca 0.66520771914303 0.33479228085697 0.00000000000000 40.078 6 P 0.22479424393606 0.22479424393606 0.75603354951336 30.974 7 P 0.77520575606394 0.77520575606394 0.24396645048664 30.974 8 P 0.61298878899031 0.92109682536029 0.76011402193691 30.974 9 P 0.07890317463971 0.38701121100969 0.23988597806309 30.974 10 P 0.38701121100969 0.07890317463971 0.23988597806309 30.974 11 P 0.92109682536029 0.61298878899031 0.76011402193691 30.974 12 P 0.94730012965761 0.94730012965761 0.83535644328762 30.974 13 P 0.05269987034239 0.05269987034239 0.16464355671238 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.671079940115021 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783675540000001 0.000000000000000 c -4.601140475678994 0.000000000000000 14.052436694410460 Atomic positions (fractional): 1 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 1 2 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 1 3 Ca 0.25000000000000 0.00000000000000 0.75000000000000 40.078 > 1 4 Ca 0.75000000000000 0.00000000000000 0.75000000000000 40.078 > 1 5 Ca 0.25000000000000 0.67564757743589 0.25000000000000 40.078 > 5 6 Ca 0.75000000000000 0.67564757743589 0.25000000000000 40.078 > 5 7 Ca 0.25000000000000 0.67564757743589 0.75000000000000 40.078 > 5 8 Ca 0.75000000000000 0.67564757743589 0.75000000000000 40.078 > 5 9 Ca 0.25000000000000 0.32435242256411 0.25000000000000 40.078 > 9 10 Ca 0.75000000000000 0.32435242256411 0.25000000000000 40.078 > 9 11 Ca 0.25000000000000 0.32435242256411 0.75000000000000 40.078 > 9 12 Ca 0.75000000000000 0.32435242256411 0.75000000000000 40.078 > 9 13 Ca 0.25000000000000 0.16520771914303 0.00000000000000 40.078 > 13 14 Ca 0.75000000000000 0.16520771914303 0.00000000000000 40.078 > 13 15 Ca 0.25000000000000 0.16520771914303 0.50000000000000 40.078 > 13 16 Ca 0.75000000000000 0.16520771914303 0.50000000000000 40.078 > 13 17 Ca 0.25000000000000 0.83479228085697 0.00000000000000 40.078 > 17 18 Ca 0.75000000000000 0.83479228085697 0.00000000000000 40.078 > 17 19 Ca 0.25000000000000 0.83479228085697 0.50000000000000 40.078 > 17 20 Ca 0.75000000000000 0.83479228085697 0.50000000000000 40.078 > 17 21 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 1 22 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 1 23 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 1 24 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 1 25 Ca 0.00000000000000 0.17564757743589 0.25000000000000 40.078 > 5 26 Ca 0.50000000000000 0.17564757743589 0.25000000000000 40.078 > 5 27 Ca 0.00000000000000 0.17564757743589 0.75000000000000 40.078 > 5 28 Ca 0.50000000000000 0.17564757743589 0.75000000000000 40.078 > 5 29 Ca 0.00000000000000 0.82435242256411 0.25000000000000 40.078 > 9 30 Ca 0.50000000000000 0.82435242256411 0.25000000000000 40.078 > 9 31 Ca 0.00000000000000 0.82435242256411 0.75000000000000 40.078 > 9 32 Ca 0.50000000000000 0.82435242256411 0.75000000000000 40.078 > 9 33 Ca 0.00000000000000 0.66520771914303 0.00000000000000 40.078 > 13 34 Ca 0.50000000000000 0.66520771914303 0.00000000000000 40.078 > 13 35 Ca 0.00000000000000 0.66520771914303 0.50000000000000 40.078 > 13 36 Ca 0.50000000000000 0.66520771914303 0.50000000000000 40.078 > 13 37 Ca 0.00000000000000 0.33479228085697 0.00000000000000 40.078 > 17 38 Ca 0.50000000000000 0.33479228085697 0.00000000000000 40.078 > 17 39 Ca 0.00000000000000 0.33479228085697 0.50000000000000 40.078 > 17 40 Ca 0.50000000000000 0.33479228085697 0.50000000000000 40.078 > 17 41 P 0.11239712196803 0.00000000000000 0.37801677475668 30.974 > 41 42 P 0.61239712196803 0.00000000000000 0.37801677475668 30.974 > 41 43 P 0.11239712196803 0.00000000000000 0.87801677475668 30.974 > 41 44 P 0.61239712196803 0.00000000000000 0.87801677475668 30.974 > 41 45 P 0.38760287803197 0.00000000000000 0.12198322524332 30.974 > 45 46 P 0.88760287803197 0.00000000000000 0.12198322524332 30.974 > 45 47 P 0.38760287803197 0.00000000000000 0.62198322524332 30.974 > 45 48 P 0.88760287803197 0.00000000000000 0.62198322524332 30.974 > 45 49 P 0.38352140358765 0.15405401818499 0.38005701096845 30.974 > 49 50 P 0.88352140358765 0.15405401818499 0.38005701096845 30.974 > 49 51 P 0.38352140358765 0.15405401818499 0.88005701096845 30.974 > 49 52 P 0.88352140358765 0.15405401818499 0.88005701096845 30.974 > 49 53 P 0.11647859641235 0.15405401818499 0.11994298903155 30.974 > 53 54 P 0.61647859641235 0.15405401818499 0.11994298903155 30.974 > 53 55 P 0.11647859641235 0.15405401818499 0.61994298903155 30.974 > 53 56 P 0.61647859641235 0.15405401818499 0.61994298903155 30.974 > 53 57 P 0.11647859641235 0.84594598181501 0.11994298903155 30.974 > 57 58 P 0.61647859641235 0.84594598181501 0.11994298903155 30.974 > 57 59 P 0.11647859641235 0.84594598181501 0.61994298903155 30.974 > 57 60 P 0.61647859641235 0.84594598181501 0.61994298903155 30.974 > 57 61 P 0.38352140358765 0.84594598181501 0.38005701096845 30.974 > 61 62 P 0.88352140358765 0.84594598181501 0.38005701096845 30.974 > 61 63 P 0.38352140358765 0.84594598181501 0.88005701096845 30.974 > 61 64 P 0.88352140358765 0.84594598181501 0.88005701096845 30.974 > 61 65 P 0.47365006482880 0.00000000000000 0.41767822164381 30.974 > 65 66 P 0.97365006482880 0.00000000000000 0.41767822164381 30.974 > 65 67 P 0.47365006482880 0.00000000000000 0.91767822164381 30.974 > 65 68 P 0.97365006482880 0.00000000000000 0.91767822164381 30.974 > 65 69 P 0.02634993517120 0.00000000000000 0.08232177835619 30.974 > 69 70 P 0.52634993517120 0.00000000000000 0.08232177835619 30.974 > 69 71 P 0.02634993517120 0.00000000000000 0.58232177835619 30.974 > 69 72 P 0.52634993517120 0.00000000000000 0.58232177835619 30.974 > 69 73 P 0.36239712196803 0.50000000000000 0.37801677475668 30.974 > 41 74 P 0.86239712196803 0.50000000000000 0.37801677475668 30.974 > 41 75 P 0.36239712196803 0.50000000000000 0.87801677475668 30.974 > 41 76 P 0.86239712196803 0.50000000000000 0.87801677475668 30.974 > 41 77 P 0.13760287803197 0.50000000000000 0.12198322524332 30.974 > 45 78 P 0.63760287803197 0.50000000000000 0.12198322524332 30.974 > 45 79 P 0.13760287803197 0.50000000000000 0.62198322524332 30.974 > 45 80 P 0.63760287803197 0.50000000000000 0.62198322524332 30.974 > 45 81 P 0.13352140358765 0.65405401818499 0.38005701096845 30.974 > 49 82 P 0.63352140358765 0.65405401818499 0.38005701096845 30.974 > 49 83 P 0.13352140358765 0.65405401818499 0.88005701096845 30.974 > 49 84 P 0.63352140358765 0.65405401818499 0.88005701096845 30.974 > 49 85 P 0.36647859641235 0.65405401818499 0.11994298903155 30.974 > 53 86 P 0.86647859641235 0.65405401818499 0.11994298903155 30.974 > 53 87 P 0.36647859641235 0.65405401818499 0.61994298903155 30.974 > 53 88 P 0.86647859641235 0.65405401818499 0.61994298903155 30.974 > 53 89 P 0.36647859641235 0.34594598181501 0.11994298903155 30.974 > 57 90 P 0.86647859641235 0.34594598181501 0.11994298903155 30.974 > 57 91 P 0.36647859641235 0.34594598181501 0.61994298903155 30.974 > 57 92 P 0.86647859641235 0.34594598181501 0.61994298903155 30.974 > 57 93 P 0.13352140358765 0.34594598181501 0.38005701096845 30.974 > 61 94 P 0.63352140358765 0.34594598181501 0.38005701096845 30.974 > 61 95 P 0.13352140358765 0.34594598181501 0.88005701096845 30.974 > 61 96 P 0.63352140358765 0.34594598181501 0.88005701096845 30.974 > 61 97 P 0.22365006482880 0.50000000000000 0.41767822164381 30.974 > 65 98 P 0.72365006482880 0.50000000000000 0.41767822164381 30.974 > 65 99 P 0.22365006482880 0.50000000000000 0.91767822164381 30.974 > 65 100 P 0.72365006482880 0.50000000000000 0.91767822164381 30.974 > 65 101 P 0.27634993517120 0.50000000000000 0.08232177835619 30.974 > 69 102 P 0.77634993517120 0.50000000000000 0.08232177835619 30.974 > 69 103 P 0.27634993517120 0.50000000000000 0.58232177835619 30.974 > 69 104 P 0.77634993517120 0.50000000000000 0.58232177835619 30.974 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4396870 0.0000000 0.0011735 0.0000000 10.3550538 0.0000000 0.0011728 0.0000000 9.6510768 -------------------------- Born effective charges -------------------------- 1 Ca 3.4259734 0.0000000 -0.1515917 0.0000000 1.2507812 0.0000000 -0.0045044 0.0000000 2.9588363 2 Ca 1.8058025 0.0000000 0.1462360 0.0000000 2.8238478 0.0000000 0.0431359 0.0000000 2.9216026 3 Ca 1.8058025 0.0000000 0.1462360 0.0000000 2.8238478 0.0000000 0.0431359 0.0000000 2.9216026 4 Ca 2.4205524 0.0000000 0.0433927 0.0000000 2.3884676 0.0000000 -0.0016107 0.0000000 1.7427699 5 Ca 2.4205524 0.0000000 0.0433927 0.0000000 2.3884676 0.0000000 -0.0016107 0.0000000 1.7427699 6 P -3.2953270 0.0000000 0.4077740 0.0000000 -2.2575289 0.0000000 0.5816897 0.0000000 -2.3777687 7 P -3.2953270 0.0000000 0.4077740 0.0000000 -2.2575289 0.0000000 0.5816897 0.0000000 -2.3777687 8 P -2.5841772 0.4880415 -0.2102193 0.4457483 -2.9903175 0.4101749 -0.2953185 0.4662258 -2.4335870 9 P -2.5841772 -0.4880415 -0.2102193 -0.4457483 -2.9903175 -0.4101749 -0.2953185 -0.4662258 -2.4335870 10 P -2.5841772 0.4880415 -0.2102193 0.4457483 -2.9903175 0.4101749 -0.2953185 0.4662258 -2.4335870 11 P -2.5841772 -0.4880415 -0.2102193 -0.4457483 -2.9903175 -0.4101749 -0.2953185 -0.4662258 -2.4335870 12 P 2.5243399 0.0000000 -0.1011683 0.0000000 2.4004579 0.0000000 -0.0303258 0.0000000 1.1011520 13 P 2.5243399 0.0000000 -0.1011683 0.0000000 2.4004579 0.0000000 -0.0303258 0.0000000 1.1011520 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 13, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 41, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:39:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:39:15]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.417769985028755 -5.891837770000000 0.000000000000000 b 3.417769985028755 5.891837770000000 0.000000000000000 c -2.300570237839497 0.000000000000000 7.026218347205230 Atomic positions (fractional): 1 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 2 Ca 0.82435242256411 0.17564757743589 0.50000000000000 40.078 3 Ca 0.17564757743589 0.82435242256411 0.50000000000000 40.078 4 Ca 0.33479228085697 0.66520771914303 0.00000000000000 40.078 5 Ca 0.66520771914303 0.33479228085697 0.00000000000000 40.078 6 P 0.22479424393606 0.22479424393606 0.75603354951336 30.974 7 P 0.77520575606394 0.77520575606394 0.24396645048664 30.974 8 P 0.61298878899031 0.92109682536029 0.76011402193691 30.974 9 P 0.07890317463971 0.38701121100969 0.23988597806309 30.974 10 P 0.38701121100969 0.07890317463971 0.23988597806309 30.974 11 P 0.92109682536029 0.61298878899031 0.76011402193691 30.974 12 P 0.94730012965761 0.94730012965761 0.83535644328762 30.974 13 P 0.05269987034239 0.05269987034239 0.16464355671238 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.671079940115021 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783675540000001 0.000000000000000 c -4.601140475678994 0.000000000000000 14.052436694410460 Atomic positions (fractional): 1 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 1 2 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 1 3 Ca 0.25000000000000 0.00000000000000 0.75000000000000 40.078 > 1 4 Ca 0.75000000000000 0.00000000000000 0.75000000000000 40.078 > 1 5 Ca 0.25000000000000 0.67564757743589 0.25000000000000 40.078 > 5 6 Ca 0.75000000000000 0.67564757743589 0.25000000000000 40.078 > 5 7 Ca 0.25000000000000 0.67564757743589 0.75000000000000 40.078 > 5 8 Ca 0.75000000000000 0.67564757743589 0.75000000000000 40.078 > 5 9 Ca 0.25000000000000 0.32435242256411 0.25000000000000 40.078 > 9 10 Ca 0.75000000000000 0.32435242256411 0.25000000000000 40.078 > 9 11 Ca 0.25000000000000 0.32435242256411 0.75000000000000 40.078 > 9 12 Ca 0.75000000000000 0.32435242256411 0.75000000000000 40.078 > 9 13 Ca 0.25000000000000 0.16520771914303 0.00000000000000 40.078 > 13 14 Ca 0.75000000000000 0.16520771914303 0.00000000000000 40.078 > 13 15 Ca 0.25000000000000 0.16520771914303 0.50000000000000 40.078 > 13 16 Ca 0.75000000000000 0.16520771914303 0.50000000000000 40.078 > 13 17 Ca 0.25000000000000 0.83479228085697 0.00000000000000 40.078 > 17 18 Ca 0.75000000000000 0.83479228085697 0.00000000000000 40.078 > 17 19 Ca 0.25000000000000 0.83479228085697 0.50000000000000 40.078 > 17 20 Ca 0.75000000000000 0.83479228085697 0.50000000000000 40.078 > 17 21 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 1 22 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 1 23 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 1 24 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 1 25 Ca 0.00000000000000 0.17564757743589 0.25000000000000 40.078 > 5 26 Ca 0.50000000000000 0.17564757743589 0.25000000000000 40.078 > 5 27 Ca 0.00000000000000 0.17564757743589 0.75000000000000 40.078 > 5 28 Ca 0.50000000000000 0.17564757743589 0.75000000000000 40.078 > 5 29 Ca 0.00000000000000 0.82435242256411 0.25000000000000 40.078 > 9 30 Ca 0.50000000000000 0.82435242256411 0.25000000000000 40.078 > 9 31 Ca 0.00000000000000 0.82435242256411 0.75000000000000 40.078 > 9 32 Ca 0.50000000000000 0.82435242256411 0.75000000000000 40.078 > 9 33 Ca 0.00000000000000 0.66520771914303 0.00000000000000 40.078 > 13 34 Ca 0.50000000000000 0.66520771914303 0.00000000000000 40.078 > 13 35 Ca 0.00000000000000 0.66520771914303 0.50000000000000 40.078 > 13 36 Ca 0.50000000000000 0.66520771914303 0.50000000000000 40.078 > 13 37 Ca 0.00000000000000 0.33479228085697 0.00000000000000 40.078 > 17 38 Ca 0.50000000000000 0.33479228085697 0.00000000000000 40.078 > 17 39 Ca 0.00000000000000 0.33479228085697 0.50000000000000 40.078 > 17 40 Ca 0.50000000000000 0.33479228085697 0.50000000000000 40.078 > 17 41 P 0.11239712196803 0.00000000000000 0.37801677475668 30.974 > 41 42 P 0.61239712196803 0.00000000000000 0.37801677475668 30.974 > 41 43 P 0.11239712196803 0.00000000000000 0.87801677475668 30.974 > 41 44 P 0.61239712196803 0.00000000000000 0.87801677475668 30.974 > 41 45 P 0.38760287803197 0.00000000000000 0.12198322524332 30.974 > 45 46 P 0.88760287803197 0.00000000000000 0.12198322524332 30.974 > 45 47 P 0.38760287803197 0.00000000000000 0.62198322524332 30.974 > 45 48 P 0.88760287803197 0.00000000000000 0.62198322524332 30.974 > 45 49 P 0.38352140358765 0.15405401818499 0.38005701096845 30.974 > 49 50 P 0.88352140358765 0.15405401818499 0.38005701096845 30.974 > 49 51 P 0.38352140358765 0.15405401818499 0.88005701096845 30.974 > 49 52 P 0.88352140358765 0.15405401818499 0.88005701096845 30.974 > 49 53 P 0.11647859641235 0.15405401818499 0.11994298903155 30.974 > 53 54 P 0.61647859641235 0.15405401818499 0.11994298903155 30.974 > 53 55 P 0.11647859641235 0.15405401818499 0.61994298903155 30.974 > 53 56 P 0.61647859641235 0.15405401818499 0.61994298903155 30.974 > 53 57 P 0.11647859641235 0.84594598181501 0.11994298903155 30.974 > 57 58 P 0.61647859641235 0.84594598181501 0.11994298903155 30.974 > 57 59 P 0.11647859641235 0.84594598181501 0.61994298903155 30.974 > 57 60 P 0.61647859641235 0.84594598181501 0.61994298903155 30.974 > 57 61 P 0.38352140358765 0.84594598181501 0.38005701096845 30.974 > 61 62 P 0.88352140358765 0.84594598181501 0.38005701096845 30.974 > 61 63 P 0.38352140358765 0.84594598181501 0.88005701096845 30.974 > 61 64 P 0.88352140358765 0.84594598181501 0.88005701096845 30.974 > 61 65 P 0.47365006482880 0.00000000000000 0.41767822164381 30.974 > 65 66 P 0.97365006482880 0.00000000000000 0.41767822164381 30.974 > 65 67 P 0.47365006482880 0.00000000000000 0.91767822164381 30.974 > 65 68 P 0.97365006482880 0.00000000000000 0.91767822164381 30.974 > 65 69 P 0.02634993517120 0.00000000000000 0.08232177835619 30.974 > 69 70 P 0.52634993517120 0.00000000000000 0.08232177835619 30.974 > 69 71 P 0.02634993517120 0.00000000000000 0.58232177835619 30.974 > 69 72 P 0.52634993517120 0.00000000000000 0.58232177835619 30.974 > 69 73 P 0.36239712196803 0.50000000000000 0.37801677475668 30.974 > 41 74 P 0.86239712196803 0.50000000000000 0.37801677475668 30.974 > 41 75 P 0.36239712196803 0.50000000000000 0.87801677475668 30.974 > 41 76 P 0.86239712196803 0.50000000000000 0.87801677475668 30.974 > 41 77 P 0.13760287803197 0.50000000000000 0.12198322524332 30.974 > 45 78 P 0.63760287803197 0.50000000000000 0.12198322524332 30.974 > 45 79 P 0.13760287803197 0.50000000000000 0.62198322524332 30.974 > 45 80 P 0.63760287803197 0.50000000000000 0.62198322524332 30.974 > 45 81 P 0.13352140358765 0.65405401818499 0.38005701096845 30.974 > 49 82 P 0.63352140358765 0.65405401818499 0.38005701096845 30.974 > 49 83 P 0.13352140358765 0.65405401818499 0.88005701096845 30.974 > 49 84 P 0.63352140358765 0.65405401818499 0.88005701096845 30.974 > 49 85 P 0.36647859641235 0.65405401818499 0.11994298903155 30.974 > 53 86 P 0.86647859641235 0.65405401818499 0.11994298903155 30.974 > 53 87 P 0.36647859641235 0.65405401818499 0.61994298903155 30.974 > 53 88 P 0.86647859641235 0.65405401818499 0.61994298903155 30.974 > 53 89 P 0.36647859641235 0.34594598181501 0.11994298903155 30.974 > 57 90 P 0.86647859641235 0.34594598181501 0.11994298903155 30.974 > 57 91 P 0.36647859641235 0.34594598181501 0.61994298903155 30.974 > 57 92 P 0.86647859641235 0.34594598181501 0.61994298903155 30.974 > 57 93 P 0.13352140358765 0.34594598181501 0.38005701096845 30.974 > 61 94 P 0.63352140358765 0.34594598181501 0.38005701096845 30.974 > 61 95 P 0.13352140358765 0.34594598181501 0.88005701096845 30.974 > 61 96 P 0.63352140358765 0.34594598181501 0.88005701096845 30.974 > 61 97 P 0.22365006482880 0.50000000000000 0.41767822164381 30.974 > 65 98 P 0.72365006482880 0.50000000000000 0.41767822164381 30.974 > 65 99 P 0.22365006482880 0.50000000000000 0.91767822164381 30.974 > 65 100 P 0.72365006482880 0.50000000000000 0.91767822164381 30.974 > 65 101 P 0.27634993517120 0.50000000000000 0.08232177835619 30.974 > 69 102 P 0.77634993517120 0.50000000000000 0.08232177835619 30.974 > 69 103 P 0.27634993517120 0.50000000000000 0.58232177835619 30.974 > 69 104 P 0.77634993517120 0.50000000000000 0.58232177835619 30.974 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.4396870 0.0000000 0.0011735 0.0000000 10.3550538 0.0000000 0.0011728 0.0000000 9.6510768 -------------------------- Born effective charges -------------------------- 1 Ca 3.4259734 0.0000000 -0.1515917 0.0000000 1.2507812 0.0000000 -0.0045044 0.0000000 2.9588363 2 Ca 1.8058025 0.0000000 0.1462360 0.0000000 2.8238478 0.0000000 0.0431359 0.0000000 2.9216026 3 Ca 1.8058025 0.0000000 0.1462360 0.0000000 2.8238478 0.0000000 0.0431359 0.0000000 2.9216026 4 Ca 2.4205524 0.0000000 0.0433927 0.0000000 2.3884676 0.0000000 -0.0016107 0.0000000 1.7427699 5 Ca 2.4205524 0.0000000 0.0433927 0.0000000 2.3884676 0.0000000 -0.0016107 0.0000000 1.7427699 6 P -3.2953270 0.0000000 0.4077740 0.0000000 -2.2575289 0.0000000 0.5816897 0.0000000 -2.3777687 7 P -3.2953270 0.0000000 0.4077740 0.0000000 -2.2575289 0.0000000 0.5816897 0.0000000 -2.3777687 8 P -2.5841772 0.4880415 -0.2102193 0.4457483 -2.9903175 0.4101749 -0.2953185 0.4662258 -2.4335870 9 P -2.5841772 -0.4880415 -0.2102193 -0.4457483 -2.9903175 -0.4101749 -0.2953185 -0.4662258 -2.4335870 10 P -2.5841772 0.4880415 -0.2102193 0.4457483 -2.9903175 0.4101749 -0.2953185 0.4662258 -2.4335870 11 P -2.5841772 -0.4880415 -0.2102193 -0.4457483 -2.9903175 -0.4101749 -0.2953185 -0.4662258 -2.4335870 12 P 2.5243399 0.0000000 -0.1011683 0.0000000 2.4004579 0.0000000 -0.0303258 0.0000000 1.1011520 13 P 2.5243399 0.0000000 -0.1011683 0.0000000 2.4004579 0.0000000 -0.0303258 0.0000000 1.1011520 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] 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: 0.63, Number of G-points: 307, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 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 3.003 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 7.253 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.577 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 9.980 ( 0.000 0.000 0.000) 0.000 10.915 ( 0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 13.674 ( 0.000 0.000 0.000) 0.000 13.878 ( 0.000 0.000 0.000) 0.000 13.932 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 31.486 -6.555 19.762) 37.747 0.828 ( 42.514 -13.033 0.423) 44.469 1.315 ( 47.784 -40.637 24.312) 67.274 3.159 ( 5.988 7.952 -9.462) 13.734 3.312 ( -5.578 3.025 -7.287) 9.663 3.955 ( -2.945 3.176 -6.733) 8.006 4.132 ( -6.138 6.788 -4.733) 10.303 4.279 ( -5.719 -0.867 -4.981) 7.634 4.367 ( 5.441 10.327 9.344) 14.952 4.734 ( -0.103 -4.108 -10.424) 11.205 4.864 ( 3.238 -1.610 -0.683) 3.680 5.054 ( -8.788 -1.640 -4.881) 10.185 5.166 ( -1.826 15.881 8.246) 17.987 5.211 ( -4.313 0.539 -1.547) 4.613 5.403 ( 2.859 1.933 7.561) 8.311 5.501 ( 4.823 -4.813 6.304) 9.283 5.684 ( 4.126 -2.015 -1.479) 4.824 5.881 ( -9.146 -4.999 12.271) 16.099 5.968 ( -3.358 -15.422 2.078) 15.920 6.595 ( -2.777 -2.163 -18.206) 18.543 6.874 ( 4.916 12.239 5.848) 14.428 7.101 ( -0.459 -4.784 -2.407) 5.375 7.230 ( -0.077 -3.243 -7.441) 8.117 7.327 ( 7.029 5.144 -3.795) 9.501 7.563 ( -2.070 0.863 3.701) 4.327 7.663 ( -5.124 -1.681 15.882) 16.773 7.776 ( 6.532 -1.978 1.950) 7.098 7.925 ( -8.281 -7.202 -2.241) 11.201 8.078 ( -0.653 -0.641 -2.688) 2.840 8.106 ( -1.532 -0.142 2.073) 2.581 8.562 ( 0.755 2.078 -16.498) 16.645 8.920 ( -6.015 13.696 28.431) 32.126 9.987 ( 0.684 -0.667 -1.122) 1.474 10.944 ( -0.148 1.090 5.274) 5.387 12.761 ( -0.326 0.002 0.010) 0.326 13.554 ( 5.016 0.729 2.952) 5.866 13.749 ( -3.383 -12.327 -2.554) 13.036 13.885 ( 0.296 -1.907 -1.611) 2.514 14.615 ( 10.566 6.885 -17.400) 21.490 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 30.221 -5.333 17.522) 35.338 1.620 ( 40.266 -11.542 -0.533) 41.891 2.552 ( 43.113 -36.651 23.222) 61.166 3.114 ( -2.479 3.110 -5.506) 6.792 3.153 ( -5.398 -0.964 -1.486) 5.681 3.822 ( -2.435 10.148 -10.021) 14.468 3.961 ( -3.207 4.100 -7.325) 8.986 4.087 ( -7.094 3.551 -8.977) 11.980 4.398 ( 0.428 8.240 10.655) 13.476 4.623 ( -2.032 2.079 -12.378) 12.715 4.861 ( -7.266 -2.849 -7.200) 10.619 5.008 ( -1.729 8.299 9.192) 12.504 5.073 ( -4.904 1.839 8.039) 9.595 5.115 ( -0.897 -0.068 -0.770) 1.184 5.306 ( -15.886 3.092 12.079) 20.195 5.653 ( 8.467 2.266 2.656) 9.159 5.821 ( 2.505 -8.605 8.940) 12.659 5.936 ( 2.502 -5.165 7.747) 9.641 5.980 ( -9.106 -3.433 -3.538) 10.355 6.487 ( 2.197 -4.043 -9.148) 10.240 6.869 ( 0.541 3.848 -6.724) 7.766 7.076 ( -1.284 -0.745 -11.541) 11.636 7.266 ( 2.167 -4.097 -3.527) 5.824 7.391 ( 8.649 4.653 -2.325) 10.093 7.579 ( 3.084 2.691 5.199) 6.617 7.655 ( -3.877 -0.190 9.404) 10.173 7.800 ( -9.332 -3.830 -3.176) 10.576 7.917 ( 5.357 -0.467 3.255) 6.286 8.075 ( -1.650 -0.318 3.366) 3.763 8.104 ( -0.142 -3.914 -1.685) 4.264 8.436 ( -6.237 2.908 -3.264) 7.616 8.807 ( -5.913 11.131 9.433) 15.743 10.000 ( 1.007 -0.836 -2.012) 2.400 10.965 ( 0.910 0.361 2.805) 2.971 12.753 ( -0.545 0.049 -0.043) 0.549 13.662 ( 6.186 1.565 4.448) 7.778 13.817 ( 0.894 -9.605 -3.962) 10.428 13.907 ( 0.794 -3.474 -2.251) 4.216 14.635 ( 6.301 3.901 -7.606) 10.620 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 27.455 -3.288 14.343) 31.150 2.328 ( 34.723 -8.527 -1.368) 35.781 2.982 ( -8.123 -2.721 -3.322) 9.188 3.146 ( -1.708 -4.530 2.981) 5.686 3.598 ( 14.622 -6.675 7.199) 17.612 3.625 ( 13.433 -8.926 2.098) 16.264 3.796 ( -8.261 0.028 -1.180) 8.345 4.019 ( 11.908 5.606 -14.871) 19.859 4.273 ( -12.235 3.235 3.786) 13.210 4.576 ( 1.498 5.219 3.738) 6.593 4.726 ( -8.247 -2.115 -4.819) 9.783 4.919 ( -3.468 8.457 6.002) 10.934 4.942 ( -11.763 -1.386 13.074) 17.641 5.051 ( -13.787 -7.726 -6.572) 17.116 5.187 ( 4.212 11.988 7.890) 14.957 5.575 ( -8.982 3.217 -17.527) 19.955 5.883 ( 7.845 7.319 3.347) 11.239 5.960 ( -1.539 -5.159 6.503) 8.442 6.115 ( 1.753 -4.588 5.970) 7.730 6.596 ( 3.700 -10.133 -0.811) 10.818 6.803 ( -1.081 -0.674 -6.867) 6.984 6.942 ( -2.422 4.791 -8.288) 9.874 7.319 ( 3.411 -0.477 -1.588) 3.792 7.485 ( 6.210 1.475 0.676) 6.419 7.608 ( -2.451 2.070 5.161) 6.077 7.631 ( -8.249 -0.379 -1.665) 8.424 7.715 ( 4.284 -2.178 -0.668) 4.852 8.017 ( 1.397 -3.047 3.919) 5.158 8.068 ( -0.454 -2.099 -0.179) 2.155 8.140 ( 0.923 -2.089 -0.309) 2.305 8.298 ( -6.177 2.220 1.401) 6.711 8.627 ( -6.625 11.224 2.588) 13.288 10.011 ( 0.851 -0.554 -2.014) 2.256 10.993 ( 1.035 -0.008 1.680) 1.974 12.743 ( -0.514 0.075 -0.090) 0.527 13.750 ( 3.405 0.567 2.651) 4.352 13.885 ( 1.086 -3.778 -2.869) 4.866 13.971 ( 3.008 -5.378 -1.315) 6.300 14.661 ( 4.084 2.369 -3.635) 5.958 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 21.110 -0.528 9.898) 23.322 2.732 ( -2.751 -2.588 -3.333) 5.037 2.959 ( 13.192 -2.538 -1.527) 13.521 3.139 ( -6.969 -3.638 -0.735) 7.896 3.462 ( -2.022 1.908 -3.788) 4.699 3.681 ( -3.285 -1.129 2.207) 4.115 3.980 ( 1.446 5.849 -5.010) 7.835 4.065 ( 2.459 2.005 -1.270) 3.418 4.400 ( -7.291 0.791 8.076) 10.909 4.496 ( 9.637 -14.485 4.438) 17.955 4.697 ( 5.634 4.396 4.035) 8.206 4.810 ( -7.421 -0.488 3.346) 8.155 4.870 ( -1.422 3.061 -3.637) 4.962 4.975 ( -7.007 -16.021 4.089) 17.958 5.108 ( 2.691 18.540 -3.716) 19.099 5.389 ( -3.278 -1.761 -6.211) 7.241 5.892 ( -4.696 4.573 -2.832) 7.140 5.967 ( 3.271 0.399 -0.765) 3.383 6.127 ( -2.193 1.511 5.054) 5.712 6.694 ( 0.330 -0.284 -0.210) 0.483 6.760 ( -1.920 -5.488 -4.591) 7.408 7.000 ( 9.969 -2.340 2.888) 10.639 7.306 ( -5.967 2.595 -0.908) 6.570 7.476 ( -1.764 0.397 -1.877) 2.607 7.566 ( 3.119 0.519 -1.123) 3.355 7.605 ( -1.651 0.334 3.421) 3.813 7.793 ( 2.618 -1.095 -0.720) 2.928 8.028 ( -2.255 -2.083 -0.375) 3.093 8.113 ( 1.150 -1.996 1.134) 2.567 8.161 ( 0.384 0.218 -0.926) 1.026 8.240 ( -0.914 -0.771 2.494) 2.766 8.443 ( -4.167 7.195 -0.142) 8.316 10.016 ( 0.331 -0.174 -0.848) 0.927 11.012 ( 0.443 -0.060 0.584) 0.736 12.736 ( -0.209 0.035 -0.048) 0.218 13.792 ( 0.992 -0.050 0.692) 1.211 13.905 ( 0.272 -1.031 -1.021) 1.476 14.049 ( 1.734 -2.135 -0.270) 2.763 14.680 ( 1.461 0.824 -1.089) 2.000 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 38.390 0.000 11.054) 39.950 1.471 ( 36.072 0.000 22.685) 42.612 2.115 ( 55.515 0.000 18.601) 58.548 3.133 ( -11.573 -0.000 -6.850) 13.448 3.168 ( -1.258 -0.000 -4.576) 4.745 3.921 ( 2.216 0.000 -12.043) 12.245 3.996 ( -9.709 -0.000 -3.759) 10.411 4.142 ( -5.532 -0.000 -9.218) 10.750 4.503 ( 0.238 0.000 6.180) 6.185 4.582 ( -5.497 -0.000 -14.322) 15.341 4.851 ( -10.502 -0.000 -7.449) 12.876 4.994 ( 3.623 0.000 8.648) 9.376 5.091 ( -7.428 -0.000 -4.900) 8.898 5.312 ( -4.042 -0.000 6.728) 7.848 5.353 ( -10.686 -0.000 20.560) 23.171 5.602 ( 4.589 0.000 3.515) 5.780 5.720 ( 3.429 0.000 2.621) 4.316 5.806 ( 0.341 0.000 15.915) 15.919 5.983 ( 6.119 0.000 2.609) 6.652 6.460 ( -2.914 -0.000 -16.400) 16.657 6.925 ( -4.698 -0.000 -8.735) 9.918 7.111 ( 8.184 0.000 -6.275) 10.313 7.141 ( -1.779 -0.000 -4.122) 4.490 7.464 ( 8.128 0.000 -5.210) 9.655 7.596 ( 4.245 0.000 1.308) 4.442 7.664 ( -5.190 -0.000 15.071) 15.940 7.756 ( -5.266 -0.000 -5.054) 7.299 7.926 ( 5.027 0.000 3.244) 5.983 8.035 ( -0.840 -0.000 -3.673) 3.768 8.076 ( -3.139 -0.000 4.021) 5.101 8.464 ( -7.111 -0.000 -2.557) 7.557 8.925 ( -9.746 -0.000 11.613) 15.161 9.992 ( 1.240 0.000 -1.796) 2.182 10.975 ( 0.362 0.000 4.194) 4.210 12.754 ( -0.584 -0.000 0.161) 0.606 13.662 ( 3.225 0.000 0.090) 3.226 13.725 ( 7.826 0.000 0.112) 7.827 13.874 ( 0.828 0.000 -2.287) 2.432 14.683 ( 5.031 0.000 -9.789) 11.006 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 32.999 8.186 17.038) 38.030 2.193 ( 35.358 -5.974 10.323) 37.315 2.926 ( -10.732 -1.859 -0.098) 10.892 3.101 ( 11.002 -5.716 4.998) 13.367 3.164 ( 30.909 -11.477 12.449) 35.243 3.786 ( -6.390 6.529 -13.732) 16.494 3.816 ( -8.738 1.232 0.648) 8.848 4.097 ( 8.017 1.709 -14.343) 16.520 4.360 ( -10.253 5.281 -4.233) 12.285 4.544 ( -4.115 -7.094 0.383) 8.210 4.665 ( -6.030 -2.066 -7.740) 10.027 4.868 ( -21.900 -3.667 11.208) 24.874 4.926 ( -8.845 -0.442 -7.293) 11.472 5.201 ( -4.174 11.572 6.085) 13.724 5.423 ( 9.068 11.291 15.490) 21.205 5.648 ( -3.137 0.827 -7.765) 8.416 5.838 ( 2.554 -5.848 5.279) 8.282 5.946 ( 3.209 -7.417 9.498) 12.471 6.041 ( 4.325 4.622 2.204) 6.702 6.438 ( 4.942 -5.555 -3.541) 8.235 6.767 ( -6.790 -1.862 -14.176) 15.828 7.067 ( 1.052 8.392 -2.792) 8.907 7.239 ( 2.999 -7.958 -2.630) 8.902 7.539 ( 5.411 2.942 -3.479) 7.073 7.616 ( -7.665 -1.025 -6.119) 9.861 7.631 ( -3.251 1.740 6.273) 7.276 7.703 ( 6.290 -0.011 -0.405) 6.303 7.968 ( -2.097 -1.976 4.351) 5.218 8.031 ( -0.348 -1.646 -0.492) 1.753 8.102 ( 2.923 -1.194 3.364) 4.614 8.326 ( -8.538 0.744 2.307) 8.876 8.783 ( -9.573 4.523 3.644) 11.197 10.005 ( 1.309 -0.158 -1.769) 2.206 11.002 ( 1.015 0.604 2.809) 3.047 12.745 ( -0.652 0.046 0.363) 0.748 13.697 ( 1.658 -3.299 -4.615) 5.911 13.873 ( 4.367 1.235 0.695) 4.591 13.908 ( 6.494 -1.921 2.062) 7.079 14.701 ( 2.999 1.386 -5.003) 5.995 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 24.879 7.581 14.484) 29.769 2.698 ( 3.128 -1.240 2.914) 4.451 2.910 ( 16.871 -2.862 7.645) 18.743 3.086 ( -3.514 -1.853 0.452) 3.998 3.518 ( -7.859 4.343 -10.527) 13.836 3.645 ( -4.169 -2.935 2.034) 5.490 4.020 ( -11.303 -4.974 14.325) 18.913 4.083 ( 15.040 -2.198 1.794) 15.305 4.232 ( 18.065 0.313 -8.142) 19.818 4.485 ( -8.879 0.793 -1.382) 9.021 4.607 ( -10.007 -12.157 -9.675) 18.481 4.677 ( -1.968 -8.421 -4.341) 9.677 4.772 ( -7.917 -2.614 2.566) 8.723 5.053 ( -3.330 11.063 3.030) 11.944 5.430 ( -3.133 11.868 -13.142) 17.982 5.519 ( 8.352 14.181 9.827) 19.169 5.887 ( -3.249 -1.519 -0.616) 3.639 6.030 ( 2.507 1.715 -2.095) 3.690 6.150 ( 0.989 -1.008 7.837) 7.963 6.620 ( 8.759 -6.049 4.800) 11.677 6.631 ( -6.304 -6.317 -7.922) 11.933 7.015 ( 4.877 4.489 -1.939) 6.906 7.306 ( -4.332 -3.628 0.546) 5.676 7.471 ( -4.403 -1.478 -5.864) 7.480 7.542 ( -2.554 -1.076 0.740) 2.869 7.620 ( 1.890 1.889 -1.588) 3.108 7.778 ( 1.987 -0.434 -0.482) 2.090 7.981 ( -0.385 -2.743 3.049) 4.119 8.076 ( 3.056 -1.570 0.946) 3.564 8.159 ( 0.633 -0.105 1.046) 1.227 8.229 ( -3.962 -0.686 3.987) 5.662 8.580 ( -9.631 6.037 -0.831) 11.397 10.016 ( 0.884 0.096 -0.770) 1.176 11.023 ( 0.895 0.954 1.591) 2.060 12.737 ( -0.444 0.070 0.590) 0.742 13.726 ( 0.527 -4.516 -5.748) 7.328 13.907 ( 1.860 0.144 0.358) 1.900 14.054 ( 6.805 1.659 4.547) 8.351 14.699 ( 0.476 1.033 -2.325) 2.588 ======================= Grid point 13 (9/160) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -12.045 8.888 1.108) 15.010 2.792 ( 1.983 3.450 4.707) 6.164 3.017 ( -4.228 3.686 5.231) 7.670 3.239 ( 10.976 7.348 5.237) 14.209 3.402 ( 1.463 -4.421 -3.430) 5.784 3.650 ( -2.732 -4.365 8.492) 9.932 3.893 ( -7.011 -7.275 11.799) 15.534 4.059 ( -7.798 5.321 -9.710) 13.543 4.312 ( -0.097 -7.943 -16.041) 17.900 4.518 ( 0.255 -7.647 -5.688) 9.534 4.716 ( 8.134 0.613 -5.690) 9.945 4.749 ( 5.902 -7.666 1.101) 9.738 4.795 ( -2.250 -7.033 5.609) 9.273 4.945 ( 0.700 6.174 -1.310) 6.350 5.231 ( 0.594 11.000 -8.615) 13.984 5.576 ( 8.068 13.659 10.434) 18.988 5.799 ( -2.179 -0.026 -4.326) 4.843 6.020 ( 1.082 1.777 -4.291) 4.769 6.137 ( 0.119 4.645 3.092) 5.581 6.621 ( -0.601 -7.456 -0.857) 7.529 6.805 ( 4.860 -0.149 6.763) 8.330 7.071 ( -4.365 4.050 -5.489) 8.099 7.224 ( 1.866 -6.128 2.275) 6.798 7.452 ( -1.308 -2.682 2.303) 3.770 7.504 ( -6.731 -5.434 1.612) 8.799 7.616 ( 2.637 2.231 -7.889) 8.612 7.790 ( -1.011 -1.455 1.120) 2.096 8.049 ( 3.851 -0.190 2.283) 4.481 8.126 ( 1.082 -0.726 -0.876) 1.570 8.153 ( 0.183 -0.022 2.194) 2.202 8.255 ( 1.799 -0.814 1.925) 2.758 8.375 ( -7.974 1.501 -3.357) 8.781 10.023 ( 0.260 0.472 0.865) 1.020 11.027 ( 0.148 1.308 0.438) 1.387 12.736 ( -0.058 0.038 0.766) 0.769 13.732 ( -1.350 -4.481 -6.160) 7.736 13.936 ( 1.736 1.314 2.056) 2.995 14.129 ( 3.391 5.227 4.499) 7.685 14.671 ( -2.392 -0.074 -0.327) 2.415 ======================= Grid point 14 (10/160) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -15.451 18.910 -1.477) 24.464 2.502 ( -27.664 9.320 4.378) 29.519 3.013 ( 1.855 1.271 5.290) 5.749 3.283 ( 2.480 6.463 -4.013) 8.002 3.460 ( 1.312 -2.964 1.115) 3.428 3.714 ( -7.347 -9.241 9.603) 15.218 3.866 ( 2.494 5.209 -0.836) 5.835 3.991 ( -5.879 -5.376 5.579) 9.726 4.274 ( -8.373 -7.306 -22.486) 25.082 4.521 ( -3.432 15.302 -3.681) 16.109 4.678 ( 10.076 -6.673 -0.012) 12.085 4.802 ( 3.104 -2.902 -2.959) 5.179 4.946 ( 3.988 -11.830 -1.313) 12.553 4.982 ( 7.494 0.042 -5.353) 9.209 5.192 ( 7.786 6.182 -3.104) 10.415 5.635 ( 1.675 3.169 8.239) 8.985 5.796 ( 1.845 3.154 4.042) 5.449 6.009 ( 1.892 0.276 -10.132) 10.311 6.175 ( 5.929 4.358 4.484) 8.617 6.710 ( 2.691 -3.364 4.223) 6.033 6.825 ( -9.904 3.869 -7.853) 13.219 6.883 ( 1.394 0.714 9.692) 9.818 7.314 ( -1.775 -1.004 4.717) 5.139 7.437 ( -8.505 -5.249 1.233) 10.070 7.551 ( 4.115 -2.939 -3.923) 6.400 7.611 ( 7.010 -2.489 -6.119) 9.633 7.767 ( -2.335 2.011 1.127) 3.281 8.070 ( 0.316 1.962 -2.274) 3.020 8.126 ( -4.571 3.803 -0.323) 5.955 8.161 ( 0.292 0.500 1.582) 1.684 8.246 ( 2.817 -3.073 -0.755) 4.236 8.409 ( 3.871 -10.138 -0.382) 10.858 10.025 ( -0.227 0.888 2.222) 2.404 11.008 ( -0.714 1.496 -0.500) 1.731 12.742 ( 0.292 -0.015 0.763) 0.817 13.697 ( -3.748 -3.747 -6.116) 8.093 13.957 ( 1.600 3.102 3.148) 4.700 14.117 ( 0.884 8.966 4.088) 9.893 14.624 ( -4.747 -1.519 1.885) 5.329 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -13.450 28.383 -0.766) 31.418 1.894 ( -32.967 16.948 4.743) 37.371 3.060 ( -0.518 -2.157 3.549) 4.185 3.182 ( -7.000 6.338 -6.639) 11.543 3.295 ( -21.966 33.317 -17.150) 43.436 3.608 ( 3.550 -10.964 6.867) 13.415 3.800 ( -6.509 -12.028 6.551) 15.164 4.062 ( 10.343 1.098 7.906) 13.065 4.181 ( -3.836 -13.794 -14.406) 20.311 4.553 ( 4.320 -2.710 6.703) 8.422 4.806 ( -0.280 -9.008 0.972) 9.064 4.916 ( 3.370 0.371 5.729) 6.657 5.067 ( 6.768 -2.372 -6.687) 9.805 5.113 ( 10.141 -1.538 -7.728) 12.843 5.303 ( 11.107 0.062 -10.553) 15.321 5.603 ( -6.839 -2.087 2.409) 7.545 5.901 ( 2.686 0.346 -4.178) 4.979 5.951 ( 4.422 5.947 4.229) 8.533 6.172 ( 4.950 10.705 -3.174) 12.214 6.614 ( -5.837 7.637 -0.554) 9.628 6.804 ( 0.359 -3.329 7.993) 8.666 7.017 ( 0.158 -7.441 15.496) 17.191 7.299 ( -1.521 2.546 3.454) 4.553 7.355 ( -4.997 -2.572 -2.841) 6.297 7.505 ( -4.277 -3.430 -9.432) 10.909 7.690 ( 1.732 2.359 -3.413) 4.496 7.837 ( 10.507 -1.315 -1.864) 10.752 7.948 ( -6.422 2.663 -2.923) 7.541 8.088 ( 1.569 1.167 -2.024) 2.815 8.144 ( -1.586 0.404 -0.212) 1.651 8.364 ( 4.351 -4.388 4.289) 7.522 8.570 ( 2.868 -12.192 -3.712) 13.063 10.022 ( -0.458 1.383 2.424) 2.828 10.975 ( -1.041 1.307 -1.056) 1.976 12.752 ( 0.428 -0.036 0.535) 0.686 13.619 ( -5.377 -2.548 -5.195) 7.899 13.962 ( 1.504 4.699 2.958) 5.753 14.049 ( 0.586 11.124 3.121) 11.569 14.571 ( -6.169 -2.569 4.694) 8.166 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -24.560 26.199 3.310) 36.063 1.242 ( -8.783 38.331 4.671) 39.601 2.226 ( -31.469 51.211 -21.888) 63.969 3.058 ( -4.181 -2.233 0.987) 4.841 3.218 ( 0.415 -5.961 3.618) 6.986 3.815 ( 3.343 -9.589 4.699) 11.189 3.932 ( 2.152 -14.809 6.207) 16.201 4.161 ( -4.948 -12.823 -10.562) 17.334 4.269 ( 8.048 -2.903 4.570) 9.699 4.671 ( 0.945 -4.687 7.233) 8.670 4.872 ( -4.834 -3.624 2.877) 6.691 4.976 ( 4.886 -3.607 4.087) 7.320 5.156 ( 8.252 4.385 -4.536) 10.388 5.213 ( 6.209 -0.177 -8.132) 10.233 5.363 ( 1.128 -0.776 -2.705) 3.032 5.529 ( -3.377 1.910 0.550) 3.918 5.737 ( -7.290 2.941 -13.653) 15.755 6.010 ( 8.996 6.723 -5.574) 12.538 6.273 ( 6.197 14.371 3.792) 16.103 6.512 ( 2.962 -3.826 7.035) 8.538 6.845 ( -4.691 1.805 8.673) 10.024 7.104 ( -5.217 -4.178 15.040) 16.459 7.245 ( -2.687 -0.363 -1.226) 2.976 7.297 ( -1.439 1.500 -3.279) 3.882 7.474 ( 0.126 -7.403 -6.867) 10.098 7.701 ( 4.068 2.235 -7.223) 8.586 7.764 ( -7.766 -1.404 -3.545) 8.651 8.043 ( 11.013 1.242 -2.102) 11.280 8.088 ( -0.276 0.670 0.529) 0.897 8.127 ( 3.725 2.694 -1.142) 4.737 8.490 ( -1.271 -5.233 13.888) 14.896 8.657 ( -1.225 -12.320 -14.752) 19.259 10.010 ( -0.416 1.699 1.411) 2.248 10.944 ( -0.629 0.954 -1.280) 1.716 12.761 ( 0.298 -0.006 0.209) 0.364 13.532 ( -4.224 -1.355 -2.998) 5.354 13.948 ( 0.724 4.761 1.498) 5.043 13.983 ( 3.753 10.982 1.424) 11.693 14.518 ( -7.529 -2.572 7.237) 10.755 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -0.000 32.692 -0.000) 32.692 0.876 ( -0.000 45.977 -0.000) 45.977 1.226 ( -0.000 63.974 -0.000) 63.974 3.004 ( -0.000 0.214 -0.000) 0.214 3.313 ( 0.000 -8.207 0.000) 8.207 3.955 ( 0.000 -8.735 0.000) 8.735 4.112 ( 0.000 -10.616 0.000) 10.616 4.152 ( 0.000 -8.885 0.000) 8.885 4.383 ( -0.000 0.904 -0.000) 0.904 4.785 ( -0.000 5.567 -0.000) 5.567 4.794 ( 0.000 -12.974 0.000) 12.974 5.150 ( 0.000 -4.404 0.000) 4.404 5.151 ( 0.000 -2.714 0.000) 2.714 5.256 ( -0.000 1.300 -0.000) 1.300 5.401 ( -0.000 6.177 -0.000) 6.177 5.488 ( 0.000 -0.510 0.000) 0.510 5.526 ( 0.000 -0.242 0.000) 0.242 6.071 ( -0.000 17.652 -0.000) 17.652 6.091 ( -0.000 5.674 -0.000) 5.674 6.685 ( 0.000 -6.411 0.000) 6.411 6.788 ( -0.000 1.721 -0.000) 1.721 7.098 ( -0.000 6.055 -0.000) 6.055 7.240 ( 0.000 -6.040 0.000) 6.040 7.263 ( -0.000 0.857 -0.000) 0.857 7.544 ( 0.000 -7.806 0.000) 7.806 7.658 ( 0.000 -2.039 0.000) 2.039 7.715 ( -0.000 3.434 -0.000) 3.434 8.088 ( 0.000 -0.676 0.000) 0.676 8.099 ( 0.000 -1.174 0.000) 1.174 8.252 ( -0.000 2.141 -0.000) 2.141 8.517 ( 0.000 -3.963 0.000) 3.963 8.643 ( 0.000 -5.749 0.000) 5.749 9.994 ( -0.000 1.426 -0.000) 1.426 10.924 ( -0.000 0.929 -0.000) 0.929 12.764 ( -0.000 0.018 -0.000) 0.018 13.496 ( 0.000 -0.824 0.000) 0.824 13.914 ( -0.000 3.735 -0.000) 3.735 13.983 ( -0.000 5.071 -0.000) 5.071 14.454 ( -0.000 0.819 -0.000) 0.819 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 26.325 0.000 5.879) 26.974 2.677 ( 6.877 0.000 12.965) 14.676 2.873 ( 14.388 0.000 16.458) 21.860 3.071 ( -2.297 -0.000 -1.064) 2.531 3.535 ( -3.081 -0.000 2.070) 3.712 3.636 ( -7.142 -0.000 -12.916) 14.759 3.970 ( 26.040 0.000 22.062) 34.129 4.019 ( -14.251 -0.000 -3.021) 14.567 4.337 ( -8.090 -0.000 -9.825) 12.727 4.358 ( 12.417 0.000 -14.338) 18.968 4.547 ( -19.173 -0.000 4.877) 19.784 4.594 ( 0.857 0.000 -3.628) 3.728 4.745 ( -7.229 -0.000 -5.782) 9.257 5.179 ( -6.784 -0.000 1.353) 6.918 5.546 ( -3.759 -0.000 -17.008) 17.418 5.704 ( 5.293 0.000 8.015) 9.605 5.897 ( 4.176 0.000 2.242) 4.740 6.009 ( 6.367 0.000 13.582) 15.000 6.104 ( 1.518 0.000 0.916) 1.773 6.555 ( -8.254 -0.000 -9.681) 12.722 6.562 ( 10.753 0.000 5.251) 11.967 7.138 ( -2.670 -0.000 -5.416) 6.039 7.189 ( 2.549 0.000 2.014) 3.248 7.446 ( -7.871 -0.000 -8.828) 11.828 7.550 ( -4.128 -0.000 0.229) 4.134 7.645 ( 2.971 0.000 -2.339) 3.782 7.771 ( 0.589 0.000 -0.074) 0.594 7.947 ( 1.001 0.000 5.304) 5.398 8.061 ( 3.262 0.000 0.405) 3.287 8.161 ( 2.196 0.000 2.355) 3.220 8.219 ( -6.323 -0.000 4.407) 7.708 8.641 ( -10.984 -0.000 -0.806) 11.013 10.018 ( 1.112 0.000 -0.726) 1.328 11.035 ( 0.923 0.000 2.000) 2.203 12.738 ( -0.537 -0.000 0.842) 0.998 13.678 ( 1.438 0.000 -6.647) 6.801 13.907 ( 2.133 0.000 0.160) 2.139 14.074 ( 8.214 0.000 5.547) 9.911 14.710 ( -0.010 -0.000 -2.830) 2.830 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -2.357 5.755 12.378) 13.853 2.845 ( -3.199 1.589 2.728) 4.495 3.095 ( 6.406 3.997 3.564) 8.349 3.334 ( 16.087 -0.026 12.167) 20.170 3.400 ( -0.921 6.583 -3.196) 7.376 3.533 ( -4.606 -8.472 2.706) 10.016 3.755 ( -18.075 -3.514 10.604) 21.248 4.095 ( -5.996 -6.357 -17.292) 19.374 4.235 ( -14.147 5.131 -6.094) 16.236 4.425 ( -1.146 -4.697 9.101) 10.306 4.564 ( 14.536 -4.422 -10.178) 18.288 4.655 ( 7.589 -2.950 -7.103) 10.805 4.788 ( 15.264 -0.667 8.582) 17.524 5.042 ( -5.288 3.426 -3.969) 7.447 5.383 ( -0.253 3.876 -19.644) 20.025 5.708 ( -3.806 2.918 -0.799) 4.862 5.927 ( 2.818 3.417 -2.680) 5.177 6.087 ( 5.148 10.738 2.982) 12.276 6.241 ( 5.475 1.979 9.078) 10.784 6.458 ( -2.544 -7.774 -1.867) 8.390 6.780 ( 8.596 -1.774 8.097) 11.942 7.069 ( -0.798 -4.097 0.015) 4.174 7.182 ( -5.771 4.291 -5.155) 8.848 7.319 ( -4.448 -8.640 -5.631) 11.231 7.469 ( -6.708 0.079 5.731) 8.824 7.662 ( 2.653 1.852 -7.211) 7.903 7.761 ( -1.696 -1.091 2.684) 3.357 8.028 ( 3.993 -1.207 3.096) 5.195 8.108 ( 1.652 -0.715 -0.308) 1.826 8.172 ( 0.378 1.798 1.865) 2.618 8.216 ( 0.839 -2.327 3.314) 4.136 8.434 ( -10.970 2.448 -3.581) 11.797 10.031 ( 0.621 0.268 0.830) 1.071 11.050 ( 0.305 0.795 1.003) 1.316 12.737 ( -0.233 0.033 1.226) 1.248 13.664 ( -0.002 -2.069 -7.221) 7.512 13.951 ( 2.654 0.355 2.110) 3.409 14.207 ( 5.597 2.350 5.471) 8.172 14.673 ( -3.032 0.120 -1.321) 3.310 ======================= Grid point 22 (16/160) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -7.398 19.313 8.172) 22.238 2.662 ( -13.451 8.763 5.644) 17.016 3.047 ( -5.256 3.294 2.706) 6.768 3.280 ( -2.527 -1.298 -4.912) 5.674 3.524 ( -12.055 -7.300 10.526) 17.590 3.595 ( 6.033 9.847 -0.562) 11.562 3.772 ( -1.686 -17.060 12.559) 21.252 3.991 ( -3.390 -7.693 -13.778) 16.141 4.017 ( 0.752 2.216 -5.604) 6.073 4.507 ( -0.324 -10.574 5.362) 11.860 4.752 ( 5.058 -4.422 -3.404) 7.532 4.771 ( 10.277 -1.751 -5.362) 11.723 4.926 ( 1.993 11.766 -10.440) 15.856 4.995 ( 3.865 5.090 1.854) 6.654 5.288 ( 5.804 3.605 -13.410) 15.050 5.584 ( -5.965 -2.333 -2.706) 6.953 5.918 ( 1.504 -0.567 -8.607) 8.756 6.099 ( 7.661 13.214 6.095) 16.445 6.310 ( 7.685 8.944 7.179) 13.805 6.570 ( 3.797 -8.623 3.137) 9.931 6.831 ( -7.178 -0.305 0.897) 7.241 6.993 ( -4.180 6.107 -3.332) 8.116 7.218 ( 3.029 -9.895 2.702) 10.695 7.314 ( -6.370 -7.532 3.039) 10.322 7.449 ( 1.411 -5.251 3.956) 6.724 7.617 ( 0.786 2.596 -9.650) 10.024 7.772 ( -0.787 -1.078 2.471) 2.808 8.092 ( 0.953 0.316 0.708) 1.229 8.138 ( 0.447 -0.483 -0.064) 0.661 8.190 ( 2.541 -1.569 0.837) 3.102 8.207 ( -9.251 0.489 -5.363) 10.705 8.301 ( 3.382 -0.724 3.247) 4.744 10.041 ( 0.228 0.718 2.247) 2.370 11.039 ( -0.691 1.444 0.131) 1.606 12.743 ( 0.091 0.030 1.329) 1.332 13.633 ( -2.065 -2.637 -6.936) 7.703 14.002 ( 2.784 1.662 3.322) 4.642 14.266 ( 3.245 6.126 4.786) 8.424 14.603 ( -5.253 -0.776 0.192) 5.313 ======================= Grid point 23 (17/160) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -22.596 16.533 4.532) 28.363 2.350 ( -3.303 34.353 9.962) 35.920 3.024 ( -2.092 -2.766 4.631) 5.786 3.202 ( -6.967 -3.442 -5.161) 9.328 3.399 ( -7.842 -9.629 -2.397) 12.648 3.592 ( 3.125 0.089 -3.421) 4.634 3.838 ( -9.859 5.164 1.748) 11.266 3.946 ( -7.855 -7.011 -14.676) 18.062 4.099 ( 7.495 2.312 9.559) 12.365 4.618 ( -0.061 9.772 -1.182) 9.843 4.630 ( -1.524 -7.968 3.544) 8.853 4.835 ( -0.966 -6.424 3.629) 7.442 4.990 ( 9.630 -2.701 -2.708) 10.361 5.106 ( 14.547 0.041 -11.281) 18.409 5.313 ( 8.232 1.887 -15.689) 17.817 5.564 ( -2.621 -2.732 9.138) 9.891 5.886 ( -0.344 -2.478 -14.394) 14.610 6.144 ( 6.525 11.917 10.061) 16.906 6.362 ( 4.372 9.347 0.966) 10.364 6.650 ( -3.258 -4.381 -5.322) 7.624 6.778 ( 2.471 -0.872 7.201) 7.663 6.913 ( -4.608 -0.047 11.632) 12.511 7.239 ( -6.328 -7.981 -1.594) 10.309 7.332 ( 0.795 -0.303 2.866) 2.990 7.493 ( -4.027 0.980 -7.789) 8.823 7.664 ( 6.076 -6.912 -2.680) 9.585 7.784 ( 1.610 -1.345 -0.576) 2.176 8.007 ( -5.277 3.155 -3.535) 7.092 8.105 ( -0.016 0.418 -1.705) 1.755 8.139 ( -0.632 -0.688 -0.849) 1.263 8.282 ( 2.885 -4.068 3.269) 5.963 8.402 ( 2.734 -5.020 1.513) 5.913 10.048 ( 0.081 1.297 2.696) 2.993 11.005 ( -1.335 1.648 -0.346) 2.149 12.752 ( 0.272 0.009 1.055) 1.089 13.574 ( -3.588 -2.077 -5.620) 6.984 14.039 ( 2.468 3.486 3.234) 5.358 14.247 ( 1.086 9.347 2.736) 9.799 14.535 ( -5.055 -1.602 2.639) 5.923 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -19.539 23.546 3.452) 30.791 2.038 ( 3.443 42.513 9.782) 43.760 3.011 ( -4.196 1.799 -0.714) 4.621 3.084 ( -4.531 8.835 -5.366) 11.286 3.230 ( -17.853 31.153 -9.099) 37.041 3.522 ( 0.228 -24.870 2.139) 24.963 3.674 ( 2.960 -5.922 -1.297) 6.746 3.912 ( -4.397 -12.749 -5.374) 14.517 4.214 ( 2.181 -1.777 3.606) 4.574 4.643 ( 3.891 0.573 3.340) 5.160 4.765 ( 1.062 -8.097 8.021) 11.447 4.888 ( -0.972 -7.860 1.429) 8.048 5.112 ( 2.418 -4.224 -3.299) 5.880 5.256 ( 10.635 3.510 -8.816) 14.253 5.365 ( 8.316 0.310 -5.826) 10.159 5.590 ( -2.624 2.475 8.340) 9.086 5.774 ( -4.700 0.838 -17.370) 18.014 6.138 ( 3.193 8.101 2.829) 9.156 6.457 ( 15.026 3.924 3.990) 16.035 6.566 ( -5.114 6.110 -1.469) 8.102 6.831 ( -2.082 -1.112 10.149) 10.420 6.978 ( -3.975 -7.174 16.174) 18.135 7.221 ( -2.485 -7.159 -8.588) 11.453 7.327 ( -5.194 4.343 6.111) 9.121 7.356 ( -0.308 -3.316 -15.348) 15.705 7.717 ( -6.593 0.534 -0.959) 6.683 7.763 ( 2.957 -0.460 -3.315) 4.466 8.031 ( 7.005 -0.905 -3.064) 7.699 8.080 ( -2.480 -1.379 -1.056) 3.028 8.171 ( 7.099 0.783 -1.780) 7.361 8.380 ( -1.397 -5.984 9.508) 11.321 8.469 ( -0.992 -7.108 -4.395) 8.416 10.046 ( -0.021 1.940 1.739) 2.606 10.968 ( -0.971 1.442 -0.351) 1.773 12.761 ( 0.231 0.003 0.516) 0.565 13.508 ( -3.057 -1.158 -3.159) 4.546 14.045 ( 1.475 5.193 1.871) 5.714 14.173 ( 0.199 9.067 0.522) 9.084 14.497 ( -3.208 -0.334 3.978) 5.121 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -0.000 29.668 -0.000) 29.668 1.724 ( -0.000 43.711 -0.000) 43.711 2.391 ( -0.000 58.922 -0.000) 58.922 3.021 ( -0.000 1.618 -0.000) 1.618 3.137 ( 0.000 -9.152 0.000) 9.152 3.778 ( 0.000 -8.769 0.000) 8.769 3.791 ( 0.000 -25.014 0.000) 25.014 3.965 ( 0.000 -10.961 0.000) 10.961 4.276 ( 0.000 -6.964 0.000) 6.964 4.680 ( -0.000 0.159 -0.000) 0.159 4.819 ( 0.000 -1.367 0.000) 1.367 5.027 ( 0.000 -11.866 0.000) 11.866 5.112 ( -0.000 0.035 -0.000) 0.035 5.290 ( -0.000 2.053 -0.000) 2.053 5.489 ( -0.000 2.151 -0.000) 2.151 5.552 ( -0.000 1.540 -0.000) 1.540 5.560 ( -0.000 7.946 -0.000) 7.946 6.168 ( -0.000 2.410 -0.000) 2.410 6.368 ( -0.000 13.625 -0.000) 13.625 6.686 ( -0.000 6.763 -0.000) 6.763 6.783 ( 0.000 -4.351 0.000) 4.351 7.089 ( 0.000 -8.994 0.000) 8.994 7.159 ( -0.000 0.193 -0.000) 0.193 7.296 ( -0.000 2.704 -0.000) 2.704 7.362 ( 0.000 -10.349 0.000) 10.349 7.627 ( 0.000 -0.208 0.000) 0.208 7.785 ( -0.000 3.320 -0.000) 3.320 8.067 ( 0.000 -1.705 0.000) 1.705 8.079 ( 0.000 -0.966 0.000) 0.966 8.289 ( -0.000 1.413 -0.000) 1.413 8.414 ( 0.000 -6.699 0.000) 6.699 8.507 ( 0.000 -7.746 0.000) 7.746 10.030 ( -0.000 2.175 -0.000) 2.175 10.947 ( -0.000 1.307 -0.000) 1.307 12.764 ( -0.000 0.012 -0.000) 0.012 13.480 ( 0.000 -0.800 0.000) 0.800 14.008 ( -0.000 5.837 -0.000) 5.837 14.104 ( -0.000 7.239 -0.000) 7.239 14.473 ( -0.000 1.168 -0.000) 1.168 ======================= Grid point 30 (20/160) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -14.524 -0.000 2.540) 14.744 2.822 ( 2.017 0.000 13.271) 13.423 3.208 ( 0.178 0.000 1.932) 1.940 3.277 ( -4.883 -0.000 -8.414) 9.729 3.426 ( -2.362 -0.000 3.728) 4.413 3.467 ( -18.871 -0.000 24.715) 31.096 3.742 ( 7.138 0.000 3.266) 7.850 3.830 ( -5.457 -0.000 -23.347) 23.976 4.143 ( 2.594 0.000 2.350) 3.500 4.359 ( -5.263 -0.000 7.803) 9.412 4.708 ( 10.676 0.000 -8.680) 13.759 4.756 ( 7.530 0.000 -3.098) 8.142 4.951 ( 3.518 0.000 -13.811) 14.252 5.124 ( 11.106 0.000 16.477) 19.871 5.323 ( 5.606 0.000 -23.694) 24.348 5.587 ( -9.221 -0.000 -7.677) 11.998 5.894 ( -0.639 -0.000 -10.027) 10.048 6.259 ( -0.676 -0.000 3.262) 3.331 6.443 ( 8.617 0.000 7.593) 11.485 6.460 ( 10.586 0.000 4.929) 11.677 6.828 ( -7.627 -0.000 0.552) 7.647 7.055 ( -4.237 -0.000 -3.309) 5.376 7.086 ( 5.140 0.000 3.309) 6.113 7.199 ( -4.454 -0.000 1.844) 4.820 7.408 ( -3.355 -0.000 4.135) 5.325 7.655 ( 0.207 0.000 -7.863) 7.865 7.752 ( -0.956 -0.000 4.478) 4.578 8.087 ( 2.099 0.000 2.016) 2.910 8.146 ( 3.659 0.000 -0.121) 3.661 8.166 ( -2.051 -0.000 -1.430) 2.500 8.201 ( -6.347 -0.000 -3.701) 7.347 8.314 ( -0.077 -0.000 2.411) 2.413 10.049 ( 0.379 0.000 2.219) 2.251 11.053 ( -0.784 -0.000 0.302) 0.840 12.743 ( 0.010 0.000 1.545) 1.545 13.607 ( -1.269 -0.000 -7.168) 7.280 14.018 ( 3.294 0.000 3.477) 4.790 14.328 ( 4.269 0.000 5.191) 6.721 14.595 ( -5.735 -0.000 -0.739) 5.782 ======================= Grid point 32 (21/160) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -18.009 7.392 3.312) 19.746 2.863 ( -0.411 -1.130 5.164) 5.302 3.033 ( -1.022 23.948 5.070) 24.500 3.165 ( -11.571 1.061 2.887) 11.973 3.304 ( -7.115 -0.009 -4.632) 8.490 3.590 ( -1.595 -10.194 3.925) 11.039 3.726 ( 1.592 -13.575 0.394) 13.674 3.743 ( -2.398 -2.393 -3.627) 4.963 4.229 ( 3.707 9.061 5.446) 11.203 4.413 ( 1.495 -10.448 3.384) 11.084 4.766 ( -0.148 -0.583 -0.814) 1.012 4.803 ( 0.966 -0.545 -4.937) 5.060 5.086 ( 17.392 3.444 -14.424) 22.856 5.163 ( 0.799 15.872 -0.458) 15.899 5.349 ( 7.601 1.025 -15.310) 17.124 5.467 ( -2.340 -8.692 5.659) 10.633 5.835 ( -0.199 -1.990 -13.222) 13.372 6.239 ( -2.380 -1.780 4.779) 5.628 6.546 ( 1.534 9.716 3.470) 10.430 6.605 ( -1.329 0.540 -8.136) 8.261 6.722 ( 4.447 -4.201 8.025) 10.091 6.961 ( -4.331 2.075 4.500) 6.581 7.125 ( -5.853 -2.804 0.464) 6.506 7.293 ( 6.124 -2.920 3.397) 7.587 7.430 ( 1.193 -5.868 2.282) 6.408 7.598 ( -0.117 1.081 -6.658) 6.746 7.770 ( -0.522 -0.718 3.710) 3.814 8.059 ( -4.022 2.293 -3.437) 5.766 8.108 ( -2.513 -0.020 -3.435) 4.256 8.118 ( -0.478 -1.310 0.856) 1.637 8.221 ( 3.330 -1.981 0.563) 3.916 8.362 ( 2.045 -0.358 2.639) 3.358 10.066 ( 0.379 0.528 2.780) 2.855 11.029 ( -1.705 0.696 -0.198) 1.853 12.753 ( 0.160 0.015 1.372) 1.381 13.546 ( -2.334 -0.805 -5.852) 6.351 14.086 ( 3.314 1.338 3.563) 5.047 14.388 ( 2.032 5.106 3.371) 6.447 14.500 ( -5.433 -2.051 0.625) 5.841 ======================= Grid point 33 (22/160) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -13.839 16.632 2.880) 21.827 2.797 ( 2.861 36.343 8.823) 37.508 2.933 ( -3.678 -7.372 3.616) 8.997 3.038 ( -2.591 -10.823 -3.020) 11.531 3.189 ( -4.541 -2.256 -5.688) 7.620 3.616 ( 1.083 -1.468 -0.472) 1.884 3.696 ( -3.563 -8.034 -3.523) 9.468 3.867 ( -3.592 17.301 1.146) 17.707 4.202 ( 0.340 0.715 3.093) 3.192 4.503 ( -2.941 -13.807 -1.814) 14.233 4.702 ( 1.278 5.742 -3.408) 6.798 4.778 ( -1.569 -3.242 2.625) 4.457 5.100 ( 5.251 3.532 4.536) 7.786 5.312 ( 12.048 2.104 -9.551) 15.518 5.368 ( 8.372 0.093 -11.049) 13.863 5.582 ( -2.253 -3.994 12.448) 13.266 5.774 ( -0.183 -0.406 -13.918) 13.925 6.275 ( -1.936 0.702 4.027) 4.523 6.373 ( -3.428 -6.565 -3.791) 8.320 6.654 ( 5.209 4.037 -3.162) 7.310 6.866 ( -0.729 -3.675 15.419) 15.868 6.899 ( -2.394 4.882 7.497) 9.261 7.075 ( -2.781 -6.211 -8.325) 10.752 7.336 ( 1.592 1.974 -9.212) 9.555 7.413 ( -5.282 3.865 5.412) 8.493 7.682 ( 5.662 -7.793 -1.944) 9.827 7.754 ( -3.072 2.647 1.294) 4.257 8.022 ( 1.271 -0.186 -0.240) 1.306 8.060 ( 0.005 0.000 -4.889) 4.889 8.147 ( 2.586 -3.143 0.044) 4.070 8.285 ( -0.633 -3.488 4.551) 5.769 8.395 ( -0.029 -1.423 -0.427) 1.486 10.077 ( 0.317 1.265 1.945) 2.341 10.992 ( -1.429 0.934 -0.258) 1.727 12.761 ( 0.154 0.013 0.759) 0.775 13.490 ( -2.056 -0.664 -3.303) 3.947 14.130 ( 2.533 3.384 2.298) 4.812 14.318 ( -2.763 6.048 -0.037) 6.650 14.491 ( -0.348 -0.532 2.676) 2.751 ======================= Grid point 34 (23/160) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -0.000 23.645 -0.000) 23.645 2.506 ( -0.000 38.188 -0.000) 38.188 2.961 ( 0.000 -6.077 0.000) 6.077 3.099 ( -0.000 3.472 -0.000) 3.472 3.247 ( 0.000 -21.815 0.000) 21.815 3.428 ( -0.000 42.284 -0.000) 42.284 3.653 ( 0.000 -4.179 0.000) 4.179 3.751 ( 0.000 -10.915 0.000) 10.915 4.215 ( 0.000 -0.366 0.000) 0.366 4.673 ( 0.000 -20.259 0.000) 20.259 4.694 ( -0.000 0.916 -0.000) 0.916 4.801 ( 0.000 -4.414 0.000) 4.414 5.141 ( -0.000 2.823 -0.000) 2.823 5.330 ( -0.000 2.106 -0.000) 2.106 5.506 ( 0.000 -0.209 0.000) 0.209 5.558 ( 0.000 -1.204 0.000) 1.204 5.693 ( -0.000 5.374 -0.000) 5.374 6.222 ( -0.000 3.319 -0.000) 3.319 6.516 ( 0.000 -10.585 0.000) 10.585 6.632 ( -0.000 1.737 -0.000) 1.737 6.853 ( -0.000 7.856 -0.000) 7.856 6.950 ( 0.000 -5.239 0.000) 5.239 7.079 ( 0.000 -7.906 0.000) 7.906 7.261 ( -0.000 1.917 -0.000) 1.917 7.361 ( -0.000 3.727 -0.000) 3.727 7.674 ( -0.000 4.884 -0.000) 4.884 7.793 ( 0.000 -3.773 0.000) 3.773 8.025 ( 0.000 -2.389 0.000) 2.389 8.065 ( 0.000 -0.105 0.000) 0.105 8.273 ( 0.000 -7.966 0.000) 7.966 8.290 ( 0.000 -1.437 0.000) 1.437 8.401 ( 0.000 -2.545 0.000) 2.545 10.070 ( -0.000 1.904 -0.000) 1.904 10.970 ( -0.000 1.045 -0.000) 1.045 12.764 ( -0.000 0.011 -0.000) 0.011 13.468 ( 0.000 -0.506 0.000) 0.506 14.117 ( -0.000 5.291 -0.000) 5.291 14.235 ( -0.000 6.096 -0.000) 6.096 14.494 ( -0.000 0.879 -0.000) 0.879 ======================= Grid point 41 (24/160) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -11.606 -0.000 1.491) 11.702 2.789 ( -1.378 -0.000 0.521) 1.473 2.968 ( -11.478 -0.000 1.329) 11.555 3.172 ( -0.733 -0.000 -5.009) 5.062 3.274 ( -3.152 -0.000 -0.690) 3.227 3.604 ( 1.476 0.000 3.385) 3.692 3.622 ( -0.645 -0.000 -2.090) 2.187 3.823 ( 11.395 0.000 18.956) 22.117 4.249 ( -3.330 -0.000 0.682) 3.399 4.395 ( -2.651 -0.000 -9.424) 9.790 4.746 ( 0.333 0.000 -2.353) 2.376 4.796 ( -1.764 -0.000 -1.054) 2.055 5.231 ( -0.379 -0.000 2.002) 2.038 5.318 ( 15.048 0.000 -10.689) 18.458 5.371 ( 4.497 0.000 -12.823) 13.588 5.473 ( 1.138 0.000 13.156) 13.205 5.769 ( 1.663 0.000 -10.279) 10.413 6.168 ( -4.919 -0.000 3.991) 6.334 6.380 ( -9.828 -0.000 -8.056) 12.708 6.706 ( 6.334 0.000 -2.972) 6.996 6.822 ( -0.547 -0.000 16.134) 16.143 6.951 ( -2.489 -0.000 5.449) 5.991 7.012 ( -2.707 -0.000 -10.762) 11.097 7.417 ( 1.294 0.000 -0.649) 1.448 7.441 ( 6.174 0.000 5.052) 7.978 7.556 ( -1.375 -0.000 -2.730) 3.057 7.782 ( -0.017 -0.000 2.603) 2.603 8.040 ( -2.839 -0.000 -2.724) 3.934 8.058 ( 3.195 0.000 -2.047) 3.794 8.093 ( -1.814 -0.000 0.954) 2.050 8.255 ( 0.899 0.000 1.442) 1.699 8.386 ( 0.382 0.000 0.135) 0.405 10.090 ( 0.450 0.000 2.010) 2.060 11.001 ( -1.628 -0.000 -0.286) 1.653 12.761 ( 0.121 0.000 0.850) 0.858 13.484 ( -1.662 -0.000 -3.355) 3.744 14.163 ( 2.999 0.000 2.494) 3.901 14.382 ( -5.399 -0.000 -0.467) 5.419 14.481 ( 2.165 0.000 2.497) 3.305 ======================= Grid point 43 (25/160) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.000 10.471 -0.000) 10.471 2.847 ( 0.000 -1.491 0.000) 1.491 2.870 ( 0.000 -11.609 0.000) 11.609 3.138 ( -0.000 7.653 -0.000) 7.653 3.151 ( -0.000 14.107 -0.000) 14.107 3.608 ( 0.000 -1.543 0.000) 1.543 3.618 ( 0.000 -0.959 0.000) 0.959 4.084 ( -0.000 19.267 -0.000) 19.267 4.225 ( -0.000 0.318 -0.000) 0.318 4.249 ( 0.000 -19.578 0.000) 19.578 4.746 ( -0.000 4.699 -0.000) 4.699 4.751 ( 0.000 -1.494 0.000) 1.494 5.221 ( -0.000 5.860 -0.000) 5.860 5.364 ( -0.000 1.221 -0.000) 1.221 5.485 ( 0.000 -6.734 0.000) 6.734 5.493 ( 0.000 -0.729 0.000) 0.729 5.760 ( -0.000 1.833 -0.000) 1.833 6.196 ( 0.000 -13.097 0.000) 13.097 6.264 ( -0.000 0.856 -0.000) 0.856 6.736 ( -0.000 3.748 -0.000) 3.748 6.882 ( 0.000 -2.013 0.000) 2.013 6.926 ( -0.000 1.289 -0.000) 1.289 6.966 ( 0.000 -3.464 0.000) 3.464 7.406 ( -0.000 11.683 -0.000) 11.683 7.418 ( -0.000 1.843 -0.000) 1.843 7.639 ( 0.000 -11.416 0.000) 11.416 7.771 ( -0.000 3.778 -0.000) 3.778 8.000 ( -0.000 0.419 -0.000) 0.419 8.074 ( -0.000 0.557 -0.000) 0.557 8.130 ( 0.000 -6.277 0.000) 6.277 8.264 ( 0.000 -0.759 0.000) 0.759 8.386 ( 0.000 -0.017 0.000) 0.017 10.096 ( -0.000 0.750 -0.000) 0.750 10.984 ( -0.000 0.388 -0.000) 0.388 12.764 ( -0.000 0.007 -0.000) 0.007 13.461 ( 0.000 -0.175 0.000) 0.175 14.191 ( -0.000 2.158 -0.000) 2.158 14.318 ( -0.000 2.363 -0.000) 2.363 14.505 ( -0.000 0.279 -0.000) 0.279 ======================= Grid point 85 (26/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 12.647 0.000 40.539) 42.465 0.868 ( -6.547 -0.000 41.982) 42.489 1.284 ( 3.298 0.000 62.300) 62.387 3.039 ( -7.794 -0.000 -0.264) 7.798 3.405 ( -11.131 -0.000 0.250) 11.134 4.002 ( -7.633 -0.000 -5.057) 9.156 4.204 ( -3.191 -0.000 -5.189) 6.091 4.245 ( -1.487 -0.000 -2.511) 2.918 4.318 ( 5.358 0.000 -2.053) 5.738 4.569 ( -4.869 -0.000 -13.581) 14.427 4.747 ( 4.971 0.000 -2.827) 5.719 4.821 ( 4.057 0.000 -22.222) 22.589 5.278 ( 15.990 0.000 1.124) 16.030 5.319 ( 0.029 0.000 2.309) 2.310 5.459 ( -2.473 -0.000 5.974) 6.466 5.519 ( 1.918 0.000 2.698) 3.310 5.661 ( -0.272 -0.000 17.106) 17.108 5.948 ( 17.532 0.000 -5.427) 18.353 5.954 ( -0.779 -0.000 11.943) 11.969 6.612 ( -19.945 -0.000 2.715) 20.129 6.742 ( 6.083 0.000 -32.278) 32.847 6.931 ( -3.451 -0.000 -3.887) 5.197 7.117 ( 3.761 0.000 -0.452) 3.788 7.287 ( -4.605 -0.000 -0.999) 4.712 7.624 ( 8.408 0.000 1.140) 8.485 7.677 ( -5.866 -0.000 3.321) 6.741 7.927 ( -2.596 -0.000 0.268) 2.610 8.039 ( -3.920 -0.000 -4.697) 6.118 8.099 ( 3.848 0.000 -1.498) 4.129 8.223 ( -8.500 -0.000 2.890) 8.978 8.340 ( 10.467 0.000 20.415) 22.942 9.636 ( 2.719 0.000 -2.741) 3.861 9.978 ( -1.454 -0.000 -0.209) 1.469 11.165 ( 4.552 0.000 0.544) 4.584 12.763 ( 0.049 0.000 -0.088) 0.101 13.508 ( 3.412 0.000 0.272) 3.423 13.667 ( -2.944 -0.000 -0.603) 3.005 13.870 ( -3.165 -0.000 -0.681) 3.238 13.939 ( -1.823 -0.000 0.453) 1.879 ======================= Grid point 86 (27/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 18.275 -5.598 29.387) 35.056 1.342 ( 23.123 5.333 37.467) 44.350 2.118 ( 32.217 -29.466 47.455) 64.484 3.064 ( 4.699 0.690 -0.422) 4.768 3.211 ( -9.337 0.959 -2.333) 9.672 3.798 ( -8.470 4.124 -11.405) 14.792 4.038 ( -6.075 7.377 -3.740) 10.262 4.122 ( -10.194 -0.751 -8.040) 13.005 4.401 ( 3.829 -1.044 -12.212) 12.841 4.444 ( -0.153 -2.245 -6.931) 7.287 4.691 ( -1.730 1.208 -18.219) 18.340 4.964 ( 9.885 -6.353 2.454) 12.004 5.279 ( 0.280 12.156 5.943) 13.534 5.332 ( -2.562 8.168 7.897) 11.647 5.546 ( 4.912 2.549 2.710) 6.162 5.649 ( 7.510 -1.929 6.343) 10.017 5.816 ( -0.882 -10.000 10.283) 14.370 6.044 ( 0.488 -1.283 8.663) 8.771 6.116 ( 5.319 -4.135 -5.415) 8.643 6.332 ( -16.119 -2.584 4.835) 17.026 6.611 ( 3.778 2.019 -29.628) 29.936 6.870 ( 3.270 3.288 -7.722) 9.007 7.169 ( -0.473 -5.042 -2.339) 5.578 7.267 ( 4.421 1.249 -0.769) 4.658 7.615 ( -1.563 1.939 1.587) 2.954 7.753 ( -0.063 -5.371 -2.584) 5.961 7.893 ( -0.956 1.613 0.044) 1.876 7.987 ( -1.537 -4.298 -3.164) 5.554 8.123 ( -6.882 0.454 12.331) 14.129 8.134 ( 0.339 0.104 1.142) 1.196 8.492 ( 1.497 4.125 8.131) 9.239 9.343 ( -19.119 13.422 9.425) 25.189 9.954 ( -0.331 -0.350 -1.354) 1.438 11.071 ( -4.315 4.822 4.883) 8.106 12.760 ( -0.233 0.174 -0.107) 0.310 13.615 ( 8.086 -0.114 2.703) 8.527 13.677 ( -4.188 -10.571 -3.970) 12.043 13.858 ( -0.520 -1.996 -0.899) 2.250 14.216 ( 21.796 -2.370 -12.542) 25.258 ======================= Grid point 87 (28/160) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 27.675 -8.191 14.812) 32.441 1.871 ( 27.462 8.267 30.354) 41.760 3.033 ( -4.423 2.496 -2.002) 5.459 3.147 ( 7.060 -9.653 6.192) 13.467 3.185 ( 25.596 -24.970 29.140) 46.129 3.553 ( -5.804 5.424 -16.070) 17.926 3.867 ( -3.924 6.682 -5.688) 9.612 3.921 ( -7.083 2.467 -2.432) 7.885 4.315 ( -3.533 0.697 -10.924) 11.502 4.492 ( 0.461 -7.498 -15.855) 17.545 4.595 ( -0.560 -5.638 -8.157) 9.931 5.104 ( -2.454 1.531 4.302) 5.183 5.188 ( 1.468 15.276 5.077) 16.164 5.241 ( -6.958 -0.292 7.099) 9.944 5.473 ( -5.348 10.165 -4.943) 12.504 5.660 ( -9.056 6.573 2.605) 11.489 5.907 ( 5.278 -2.078 5.906) 8.189 6.043 ( -3.734 1.330 7.343) 8.344 6.222 ( -4.287 -8.297 13.279) 16.234 6.328 ( 8.386 -9.704 -7.002) 14.613 6.566 ( 4.629 -4.194 -16.085) 17.255 6.837 ( 4.315 8.141 -11.182) 14.489 7.214 ( 1.865 -5.685 -2.590) 6.519 7.375 ( 6.597 -1.121 1.493) 6.856 7.611 ( 2.011 3.302 -1.712) 4.228 7.701 ( -6.863 -6.238 -4.107) 10.143 7.804 ( -7.389 -0.652 1.582) 7.584 8.044 ( 1.975 -1.661 3.692) 4.504 8.115 ( -2.197 -0.751 4.641) 5.190 8.133 ( -0.636 0.162 3.792) 3.849 8.450 ( -3.474 5.363 3.734) 7.401 8.983 ( -15.603 12.718 6.306) 21.094 9.957 ( 1.004 -0.587 -1.595) 1.974 11.024 ( -0.586 2.346 2.522) 3.494 12.751 ( -0.327 0.467 -0.145) 0.588 13.691 ( -2.112 -8.342 -3.831) 9.420 13.784 ( 9.002 -0.502 3.072) 9.525 13.885 ( 1.353 -3.112 0.157) 3.397 14.438 ( 12.795 0.057 -9.339) 15.841 ======================= Grid point 88 (29/160) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 22.992 -2.097 14.044) 27.023 2.408 ( 30.265 4.842 14.846) 34.056 2.924 ( -4.322 3.111 -2.352) 5.821 3.187 ( -3.167 -2.799 -0.187) 4.231 3.354 ( -1.963 -0.320 -14.277) 14.415 3.711 ( 0.718 6.983 -8.237) 10.822 3.791 ( -0.124 -2.683 1.692) 3.174 4.081 ( 7.301 -1.545 5.448) 9.240 4.236 ( 9.389 -15.675 7.819) 19.874 4.451 ( -2.401 -12.105 -19.166) 22.796 4.666 ( 2.549 -7.437 -3.032) 8.427 4.919 ( -19.495 3.527 5.829) 20.651 4.979 ( -5.769 10.432 -6.227) 13.449 5.221 ( -4.731 -0.532 5.940) 7.613 5.269 ( -2.661 9.772 1.958) 10.316 5.527 ( -3.322 6.789 14.602) 16.442 5.930 ( -7.405 -1.072 -4.812) 8.896 5.993 ( -0.287 5.118 4.816) 7.034 6.316 ( -1.058 -1.877 10.304) 10.527 6.531 ( 10.784 -5.314 -5.711) 13.310 6.606 ( -0.134 -5.979 -10.106) 11.743 6.824 ( 8.521 0.772 -2.345) 8.871 7.291 ( 4.082 -1.138 -2.551) 4.946 7.467 ( -4.092 2.146 -6.138) 7.683 7.517 ( 1.935 -2.131 0.138) 2.882 7.638 ( -4.375 -2.327 -5.136) 7.136 7.797 ( -0.929 -2.976 7.323) 7.959 8.075 ( -3.372 -0.522 1.556) 3.750 8.104 ( 2.103 0.193 2.607) 3.355 8.155 ( -0.166 -0.314 2.436) 2.462 8.362 ( -3.619 2.952 2.861) 5.477 8.655 ( -12.375 11.807 0.334) 17.107 9.980 ( 1.855 -0.497 -0.641) 2.025 11.016 ( 0.336 1.334 0.447) 1.447 12.741 ( -0.105 0.680 -0.107) 0.697 13.717 ( -1.577 -7.981 -4.596) 9.344 13.901 ( 2.896 -0.210 3.533) 4.573 13.984 ( 6.673 -0.795 2.345) 7.117 14.561 ( 7.745 0.188 -5.494) 9.497 ======================= Grid point 89 (30/160) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -6.706 6.778 1.244) 9.616 2.672 ( 13.443 3.531 7.096) 15.606 2.972 ( 20.400 5.092 1.832) 21.105 3.111 ( -3.342 -0.565 -1.824) 3.849 3.346 ( 1.912 -7.045 -6.377) 9.693 3.619 ( 3.439 8.381 -8.296) 12.283 3.760 ( 0.992 7.168 -10.605) 12.839 4.101 ( 0.150 -11.415 2.849) 11.766 4.365 ( -4.812 0.820 -12.421) 13.345 4.437 ( -6.993 -7.715 -15.429) 18.614 4.706 ( -3.270 -5.533 -3.179) 7.170 4.809 ( 0.861 0.765 0.558) 1.280 4.874 ( -7.172 -1.738 16.435) 18.016 5.170 ( -7.642 -5.070 5.515) 10.701 5.208 ( 0.002 7.051 12.720) 14.544 5.560 ( 3.719 5.423 17.273) 18.482 5.805 ( -2.509 -5.844 -1.759) 6.599 5.946 ( -2.064 1.528 -2.406) 3.519 6.268 ( -7.818 3.226 6.436) 10.628 6.625 ( 2.595 -3.330 -3.897) 5.745 6.712 ( 10.715 0.313 -2.074) 10.919 6.995 ( 4.804 -3.953 -2.608) 6.746 7.240 ( -5.091 2.944 -4.990) 7.713 7.351 ( 4.252 1.858 -7.063) 8.451 7.556 ( -2.668 -2.991 -5.444) 6.760 7.664 ( 1.156 -3.051 4.991) 5.963 7.809 ( -0.081 1.028 2.022) 2.270 8.044 ( -1.703 0.259 1.844) 2.523 8.128 ( 0.664 0.753 -0.432) 1.093 8.179 ( 0.804 -0.647 2.918) 3.095 8.315 ( -3.548 1.429 4.311) 5.763 8.394 ( -5.653 5.071 -4.560) 8.858 10.015 ( 1.794 -0.180 0.758) 1.956 11.007 ( 0.085 1.055 -1.018) 1.468 12.736 ( 0.308 0.736 -0.001) 0.798 13.734 ( -2.115 -6.863 -4.701) 8.583 13.954 ( 1.318 0.535 4.749) 4.957 14.081 ( 4.145 2.901 2.868) 5.816 14.635 ( 3.923 -0.728 -3.202) 5.116 ======================= Grid point 90 (31/160) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -20.237 11.288 -2.601) 23.317 2.774 ( -3.249 4.939 0.743) 5.958 3.001 ( -0.857 11.256 -1.284) 11.362 3.140 ( 0.090 2.102 2.570) 3.322 3.473 ( 4.780 -9.451 -2.889) 10.978 3.658 ( 12.568 3.665 -4.896) 13.977 3.770 ( 17.087 4.124 -9.563) 20.011 3.971 ( -12.747 1.980 -12.731) 18.124 4.363 ( 7.710 -5.301 -15.782) 18.347 4.467 ( -9.092 -12.483 0.693) 15.459 4.616 ( -14.673 4.916 16.407) 22.554 4.727 ( 1.018 -4.143 -7.541) 8.664 4.769 ( -2.909 1.173 2.943) 4.301 5.134 ( -4.434 -4.050 0.224) 6.009 5.233 ( -0.207 2.955 12.765) 13.104 5.722 ( 7.076 1.234 20.530) 21.751 5.841 ( -4.029 -1.338 -8.458) 9.464 5.953 ( -1.880 -7.551 2.353) 8.129 6.166 ( -2.011 4.547 5.116) 7.134 6.655 ( 2.188 5.184 -3.631) 6.697 6.810 ( -0.322 -0.835 -2.952) 3.085 6.946 ( 2.088 -2.639 1.829) 3.830 7.300 ( 8.583 1.930 -1.660) 8.952 7.403 ( 4.704 -4.273 -4.912) 8.032 7.501 ( -2.525 -2.257 -6.614) 7.430 7.631 ( -4.395 1.381 0.852) 4.685 7.821 ( -2.371 -0.114 2.237) 3.262 8.008 ( -0.792 4.056 -1.540) 4.410 8.156 ( 1.648 2.249 3.774) 4.692 8.168 ( -2.949 1.975 -1.120) 3.722 8.247 ( 1.187 0.559 4.039) 4.247 8.409 ( 3.411 -7.877 -3.016) 9.099 10.043 ( 0.820 0.404 1.557) 1.805 10.986 ( -0.462 1.118 -1.805) 2.173 12.737 ( 0.664 0.655 0.053) 0.934 13.720 ( -3.667 -5.281 -4.830) 8.041 13.983 ( 0.248 2.197 5.607) 6.028 14.089 ( 0.229 6.093 2.953) 6.775 14.671 ( 0.826 -1.909 -2.155) 2.995 ======================= Grid point 91 (32/160) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -23.673 16.492 0.762) 28.861 2.354 ( -28.989 16.794 -0.842) 33.513 3.041 ( 10.753 4.200 0.436) 11.553 3.121 ( 0.079 -1.176 1.998) 2.320 3.322 ( -31.711 18.277 -4.586) 36.887 3.720 ( 5.876 -8.617 2.879) 10.820 3.941 ( 13.436 0.604 6.295) 14.850 3.985 ( 9.973 -7.498 -15.564) 19.948 4.295 ( -7.527 -8.095 4.185) 11.819 4.538 ( 11.150 -10.131 -9.434) 17.775 4.587 ( 0.471 -0.652 -5.479) 5.537 4.760 ( 3.616 -3.172 -5.475) 7.288 4.852 ( 5.948 -1.615 6.630) 9.052 5.078 ( -3.637 1.486 -3.863) 5.510 5.273 ( -1.844 -2.183 8.269) 8.748 5.701 ( -4.524 2.006 -11.605) 12.616 5.842 ( -6.026 2.035 4.433) 7.753 6.007 ( 1.758 3.558 8.203) 9.113 6.040 ( -2.185 5.626 3.785) 7.124 6.608 ( 1.077 3.579 0.676) 3.798 6.850 ( 1.951 -4.963 -1.105) 5.446 7.100 ( 6.225 -1.641 4.948) 8.120 7.360 ( -3.830 0.470 -3.637) 5.302 7.398 ( 2.260 -5.085 -2.739) 6.202 7.512 ( -0.783 0.102 0.252) 0.829 7.643 ( 6.869 -2.538 -2.825) 7.849 7.743 ( -5.820 1.276 2.368) 6.412 7.967 ( 1.583 2.945 -1.447) 3.643 8.050 ( -6.310 1.852 -0.825) 6.628 8.167 ( -0.742 1.895 1.989) 2.846 8.364 ( 7.137 -1.325 6.698) 9.877 8.551 ( 6.059 -8.059 -4.484) 11.035 10.046 ( -0.484 1.071 1.246) 1.712 10.955 ( -0.671 1.177 -1.732) 2.199 12.744 ( 0.794 0.474 -0.002) 0.924 13.662 ( -5.283 -3.387 -4.892) 7.957 13.973 ( -1.397 4.944 4.985) 7.158 14.023 ( -1.820 6.599 3.403) 7.645 14.676 ( -1.401 -2.885 -2.712) 4.201 ======================= Grid point 92 (33/160) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -21.497 22.177 10.743) 32.701 1.638 ( -31.770 26.435 -1.041) 41.343 2.429 ( -49.297 22.395 13.037) 55.693 3.144 ( 1.165 -6.226 -0.808) 6.386 3.298 ( 10.240 -3.649 9.973) 14.753 3.941 ( 3.339 -12.236 1.109) 12.732 4.095 ( 2.428 -11.652 -6.418) 13.523 4.172 ( 10.119 0.195 4.161) 10.943 4.276 ( -6.403 -2.550 6.802) 9.684 4.621 ( 12.324 -4.635 -18.384) 22.613 4.820 ( 3.117 -4.823 -7.638) 9.556 4.868 ( 14.504 -3.256 -4.336) 15.484 4.923 ( -3.013 7.321 -8.100) 11.326 4.991 ( 8.050 -4.770 -3.336) 9.934 5.298 ( -1.865 -4.663 2.800) 5.750 5.584 ( -0.091 2.825 -5.908) 6.549 5.714 ( -7.176 3.245 4.595) 9.118 5.788 ( -3.383 11.507 -3.053) 12.377 6.159 ( 2.180 10.299 9.659) 14.286 6.638 ( -1.050 -7.131 2.674) 7.688 6.900 ( 3.868 2.455 -1.020) 4.693 7.114 ( -5.289 -1.364 -6.803) 8.725 7.278 ( -2.290 1.176 -5.167) 5.773 7.459 ( -1.584 -0.814 5.846) 6.111 7.513 ( -5.150 -5.130 2.339) 7.636 7.666 ( 3.134 -1.248 7.885) 8.576 7.825 ( 7.280 -0.571 -0.276) 7.307 7.903 ( -5.864 1.709 1.846) 6.381 8.002 ( 3.226 0.902 -2.893) 4.426 8.140 ( -1.971 0.576 2.070) 2.916 8.509 ( 2.647 -3.774 -2.789) 5.388 8.726 ( 10.433 -5.135 6.429) 13.287 10.023 ( -1.328 1.264 0.304) 1.858 10.930 ( -0.098 1.084 -0.317) 1.133 12.753 ( 0.672 0.246 -0.087) 0.720 13.572 ( -5.117 -1.481 -4.067) 6.702 13.886 ( -2.519 8.834 2.684) 9.571 13.970 ( -2.061 3.365 3.707) 5.414 14.641 ( -4.094 -3.277 -7.539) 9.183 ======================= Grid point 93 (34/160) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -15.895 23.065 25.262) 37.721 0.901 ( -17.929 30.522 19.895) 40.606 1.559 ( -48.967 13.614 38.446) 63.728 3.197 ( -4.973 -9.786 -6.127) 12.571 3.485 ( -1.695 -4.786 8.232) 9.672 4.039 ( -0.451 -7.146 -0.055) 7.161 4.194 ( -2.452 -5.747 -3.748) 7.287 4.228 ( 3.875 -0.033 4.474) 5.918 4.312 ( 2.146 3.339 -2.067) 4.475 4.678 ( -1.497 0.706 -11.840) 11.955 4.825 ( 5.322 2.260 -17.630) 18.554 4.844 ( 2.214 4.476 -9.848) 11.042 4.967 ( 8.982 -13.830 -8.224) 18.427 5.252 ( 10.736 -1.334 -3.432) 11.350 5.373 ( 2.630 -5.099 6.171) 8.426 5.601 ( -3.261 -4.702 -0.814) 5.780 5.654 ( 4.213 0.448 4.349) 6.072 5.688 ( 5.682 10.719 -0.214) 12.133 6.042 ( -3.398 15.658 7.647) 17.754 6.672 ( 1.613 -6.671 -8.456) 10.891 6.913 ( -9.290 6.698 6.140) 12.995 6.969 ( -2.687 -4.529 -7.545) 9.201 7.175 ( -2.267 4.898 -7.294) 9.074 7.387 ( -8.967 -3.629 2.279) 9.938 7.537 ( 3.137 1.322 -0.081) 3.405 7.764 ( -7.005 -1.386 1.382) 7.274 7.877 ( 5.711 -5.746 16.040) 17.970 7.988 ( 10.620 4.176 9.750) 15.010 8.037 ( 3.942 -0.197 -3.080) 5.007 8.116 ( -2.551 -0.383 0.584) 2.645 8.435 ( -8.063 0.815 -9.992) 12.866 9.135 ( 22.311 -12.543 21.020) 33.121 9.992 ( -1.176 0.505 -0.109) 1.284 10.956 ( 4.157 -0.772 4.925) 6.491 12.760 ( 0.385 0.045 -0.105) 0.401 13.501 ( -1.861 -0.252 -2.091) 2.811 13.779 ( -0.634 10.076 0.611) 10.114 13.922 ( -2.495 1.947 1.935) 3.709 14.430 ( -19.355 1.147 -22.219) 29.489 ======================= Grid point 95 (35/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 29.292 0.000 17.051) 33.893 2.034 ( 29.530 0.000 30.972) 42.794 2.799 ( 38.089 0.000 40.917) 55.901 3.061 ( -7.317 -0.000 -0.112) 7.318 3.116 ( 0.930 0.000 -0.100) 0.936 3.620 ( -5.787 -0.000 -19.220) 20.072 3.937 ( -5.960 -0.000 -8.388) 10.290 3.950 ( -6.939 -0.000 -0.576) 6.963 4.320 ( -3.128 -0.000 -9.786) 10.274 4.412 ( 1.158 0.000 -22.098) 22.129 4.518 ( -3.520 -0.000 -10.155) 10.748 5.125 ( 4.155 0.000 2.830) 5.027 5.200 ( -12.215 -0.000 9.257) 15.326 5.410 ( -4.808 -0.000 1.904) 5.171 5.625 ( -2.675 -0.000 -0.831) 2.801 5.765 ( 6.847 0.000 0.802) 6.894 5.778 ( -6.484 -0.000 16.473) 17.703 6.082 ( -2.828 -0.000 7.009) 7.558 6.115 ( 0.961 0.000 6.345) 6.417 6.223 ( 4.975 0.000 0.260) 4.982 6.521 ( 2.131 0.000 -21.376) 21.482 6.945 ( 7.200 0.000 -9.182) 11.669 7.118 ( 1.058 0.000 -3.026) 3.205 7.375 ( 7.914 0.000 -0.662) 7.942 7.624 ( -4.382 -0.000 -2.359) 4.976 7.646 ( 0.217 0.000 -1.639) 1.653 7.814 ( -9.660 -0.000 -3.164) 10.165 8.001 ( 4.268 0.000 3.585) 5.574 8.116 ( -2.859 -0.000 10.312) 10.701 8.136 ( -0.738 -0.000 1.647) 1.805 8.503 ( -5.704 -0.000 5.314) 7.796 9.112 ( -19.033 -0.000 5.605) 19.842 9.952 ( 1.168 0.000 -1.510) 1.909 11.055 ( -2.016 -0.000 3.098) 3.696 12.756 ( -0.319 -0.000 0.032) 0.321 13.590 ( 0.025 0.000 -4.462) 4.462 13.791 ( 10.761 0.000 3.750) 11.395 13.852 ( 1.174 0.000 0.292) 1.210 14.440 ( 14.137 0.000 -10.872) 17.834 ======================= Grid point 96 (36/160) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 29.777 -2.035 9.340) 31.273 2.599 ( 27.294 10.008 25.655) 38.773 2.981 ( -2.714 2.340 5.022) 6.169 3.118 ( -1.671 -3.086 1.243) 3.723 3.409 ( -3.662 3.875 -22.041) 22.677 3.596 ( 16.389 -12.480 18.543) 27.716 3.824 ( 1.359 4.015 -10.831) 11.630 3.942 ( 11.415 -5.229 13.426) 18.382 4.174 ( -8.050 0.251 -20.642) 22.158 4.254 ( -3.801 -5.990 -14.004) 15.698 4.535 ( 3.200 -4.533 -3.435) 6.525 4.978 ( -16.577 4.647 7.358) 18.723 5.086 ( -13.339 -5.487 3.521) 14.847 5.249 ( -8.765 10.370 -2.836) 13.871 5.440 ( -9.634 1.977 -6.932) 12.032 5.735 ( 2.811 12.297 13.732) 18.646 5.895 ( -0.216 -2.971 0.067) 2.979 6.085 ( -2.050 4.678 3.653) 6.280 6.210 ( 3.275 -8.505 11.328) 14.539 6.431 ( 14.200 -3.556 1.752) 14.742 6.477 ( -0.013 -4.954 -10.785) 11.869 6.943 ( 4.580 8.454 -7.974) 12.491 7.194 ( 4.714 -7.203 -3.237) 9.197 7.462 ( -9.487 -1.100 -8.209) 12.594 7.505 ( 7.135 0.283 1.548) 7.307 7.632 ( -7.745 0.848 -4.413) 8.954 7.738 ( 3.847 -2.411 3.408) 5.676 8.048 ( -1.552 -1.427 2.986) 3.655 8.120 ( -1.453 0.801 6.828) 7.026 8.154 ( 1.377 0.043 1.926) 2.368 8.404 ( -7.396 1.219 3.488) 8.267 8.818 ( -15.818 4.720 -0.104) 16.507 9.975 ( 2.272 -0.090 -0.676) 2.372 11.044 ( -0.164 1.156 1.109) 1.611 12.751 ( -0.181 0.291 0.209) 0.401 13.591 ( 0.292 -4.050 -5.108) 6.525 13.893 ( 2.513 -0.422 2.587) 3.631 13.986 ( 10.296 0.416 3.726) 10.957 14.568 ( 7.968 0.308 -7.051) 10.645 ======================= Grid point 97 (37/160) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 18.974 1.432 4.883) 19.645 2.833 ( 0.013 10.489 11.016) 15.211 3.056 ( 5.911 2.152 2.604) 6.808 3.195 ( 12.682 9.096 7.539) 17.332 3.224 ( -0.365 -4.325 -11.957) 12.721 3.742 ( -0.762 -0.917 2.853) 3.092 3.780 ( 4.858 -2.733 -14.393) 15.435 3.929 ( -8.674 -5.189 -17.015) 19.791 4.207 ( -0.397 -4.915 -11.131) 12.174 4.403 ( 6.281 -6.381 -6.329) 10.965 4.660 ( -17.867 3.727 7.263) 19.644 4.751 ( 14.388 -7.451 22.662) 27.859 4.883 ( -9.039 2.071 -8.235) 12.402 5.036 ( -10.892 -3.024 7.746) 13.704 5.298 ( -6.578 -1.818 -1.364) 6.960 5.760 ( 0.255 7.589 11.283) 13.600 5.806 ( -0.251 8.519 -4.887) 9.824 5.999 ( -2.876 5.939 -0.068) 6.599 6.325 ( -2.773 1.158 6.081) 6.783 6.503 ( 1.526 -8.204 -2.610) 8.743 6.713 ( 13.721 -1.017 3.548) 14.209 6.952 ( 7.284 0.892 -3.747) 8.240 7.239 ( -9.725 -1.680 -6.866) 12.022 7.340 ( 3.827 -6.439 -5.606) 9.356 7.497 ( -3.992 0.257 -8.120) 9.052 7.614 ( 2.038 -1.831 4.930) 5.640 7.808 ( 0.168 -0.898 2.921) 3.061 8.048 ( 0.026 0.216 3.515) 3.522 8.138 ( 0.096 0.084 2.770) 2.773 8.172 ( 0.452 0.341 1.295) 1.414 8.315 ( -4.424 -0.570 2.843) 5.290 8.520 ( -12.630 5.951 -4.541) 14.682 10.015 ( 2.429 0.125 0.774) 2.552 11.035 ( 0.306 1.574 -0.437) 1.661 12.748 ( 0.144 0.526 0.407) 0.680 13.610 ( -0.412 -5.410 -5.138) 7.472 13.958 ( 2.604 -0.009 4.646) 5.326 14.139 ( 7.494 2.629 3.427) 8.650 14.627 ( 3.422 -0.107 -4.414) 5.586 ======================= Grid point 98 (38/160) ======================= q-point: (-0.56 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -8.785 21.012 7.276) 23.908 2.836 ( -4.130 2.106 0.362) 4.651 3.138 ( -2.344 -3.364 -1.442) 4.346 3.173 ( 6.669 3.616 -0.199) 7.589 3.401 ( 5.787 5.908 -3.222) 8.875 3.690 ( 0.436 -7.187 -23.791) 24.857 3.819 ( 10.701 5.800 3.040) 12.546 3.930 ( -3.197 -2.850 -1.337) 4.487 4.206 ( -2.503 -11.757 1.970) 12.181 4.338 ( 6.962 1.460 -10.489) 12.674 4.578 ( -1.126 -6.511 -3.189) 7.337 4.736 ( -7.331 -2.345 -1.358) 7.816 4.924 ( -7.481 15.325 8.124) 18.890 4.997 ( -5.623 -8.248 6.621) 11.979 5.232 ( -5.058 -3.847 0.008) 6.355 5.717 ( -1.291 -7.185 4.825) 8.751 5.858 ( 1.603 0.401 1.983) 2.581 5.918 ( 6.812 12.636 6.513) 15.763 6.268 ( 0.538 6.023 6.063) 8.563 6.617 ( 3.216 -7.111 0.334) 7.812 6.869 ( -1.630 5.803 -10.075) 11.740 6.917 ( 0.598 -0.687 1.586) 1.829 7.252 ( 7.346 -7.730 0.493) 10.675 7.407 ( -2.067 -6.185 -6.611) 9.286 7.415 ( 3.272 3.053 -7.203) 8.480 7.622 ( -5.985 -1.707 4.760) 7.835 7.814 ( -1.346 -0.580 1.770) 2.298 8.074 ( -0.169 2.971 -0.597) 3.035 8.150 ( 2.891 -1.761 1.687) 3.782 8.204 ( 1.519 -0.965 4.028) 4.412 8.266 ( -9.253 2.200 -6.033) 11.263 8.310 ( 0.423 -1.138 2.350) 2.645 10.053 ( 1.599 0.609 1.895) 2.553 11.017 ( 0.023 1.912 -1.343) 2.336 12.750 ( 0.438 0.632 0.494) 0.914 13.616 ( -1.947 -5.192 -4.773) 7.317 14.017 ( 1.859 1.438 5.702) 6.168 14.208 ( 3.678 5.884 2.915) 7.527 14.640 ( -0.111 -1.305 -2.823) 3.112 ======================= Grid point 99 (39/160) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -10.760 29.530 9.978) 32.975 2.605 ( -20.800 9.800 4.225) 23.378 3.101 ( -3.039 -1.275 -3.429) 4.756 3.161 ( 2.569 7.359 1.842) 8.009 3.429 ( 2.235 -5.134 -4.058) 6.916 3.619 ( -10.168 -13.528 -15.355) 22.851 3.808 ( 3.039 4.975 -11.514) 12.905 4.096 ( 9.115 3.918 12.321) 15.819 4.202 ( -12.931 2.370 7.098) 14.941 4.452 ( 9.974 0.611 -6.749) 12.058 4.551 ( 3.825 -0.951 -11.528) 12.183 4.698 ( 6.313 -2.754 -4.162) 8.047 4.807 ( 3.518 -2.935 4.256) 6.253 5.039 ( -2.401 -6.378 3.255) 7.553 5.182 ( -6.095 -6.835 -2.598) 9.519 5.722 ( -3.456 0.601 -3.756) 5.139 5.817 ( -5.957 -4.023 1.913) 7.438 6.064 ( 11.966 8.714 16.388) 22.084 6.260 ( -1.312 11.175 0.178) 11.253 6.676 ( -3.457 -0.819 -4.341) 5.609 6.750 ( 6.522 -2.425 -0.464) 6.974 7.045 ( 5.756 -3.651 5.769) 8.930 7.299 ( -3.428 -4.385 -10.673) 12.038 7.365 ( -3.685 -0.600 -2.829) 4.684 7.511 ( 0.986 -0.364 4.442) 4.565 7.580 ( 4.613 -4.273 -2.438) 6.744 7.785 ( -2.769 2.161 1.177) 3.704 8.025 ( 0.816 2.975 -2.272) 3.832 8.079 ( -8.298 0.919 -2.138) 8.618 8.173 ( -2.597 -0.953 0.029) 2.766 8.325 ( 3.686 -2.721 5.538) 7.188 8.407 ( 7.155 -5.847 0.683) 9.266 10.070 ( 0.278 1.345 1.890) 2.337 10.987 ( -0.334 2.038 -1.417) 2.504 12.755 ( 0.537 0.589 0.364) 0.876 13.590 ( -3.560 -3.855 -4.049) 6.628 14.046 ( 0.602 3.269 5.340) 6.290 14.182 ( 0.360 8.837 2.135) 9.098 14.624 ( -2.287 -2.487 -2.152) 4.005 ======================= Grid point 100 (40/160) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -7.494 36.000 15.813) 40.028 2.075 ( -28.387 20.605 9.719) 36.399 2.986 ( -25.604 27.244 -5.424) 37.779 3.071 ( -4.165 0.328 -0.749) 4.244 3.243 ( 1.319 2.358 6.380) 6.928 3.703 ( -3.398 -13.251 -9.088) 16.423 3.743 ( 5.827 -21.395 1.631) 22.235 4.160 ( -4.435 -7.143 5.763) 10.194 4.212 ( 2.475 2.107 10.577) 11.065 4.524 ( 4.838 -4.393 -11.368) 13.113 4.753 ( 18.288 -4.742 -13.362) 23.140 4.818 ( 12.845 1.882 -11.619) 17.423 4.945 ( 2.981 -0.875 -1.432) 3.421 5.051 ( 1.221 1.262 1.765) 2.490 5.163 ( -2.611 -9.689 0.553) 10.050 5.615 ( -3.682 2.052 -7.327) 8.453 5.751 ( -5.822 1.153 4.075) 7.199 6.045 ( -3.608 13.675 -2.990) 14.456 6.309 ( 13.239 4.934 14.969) 20.584 6.608 ( -4.578 3.409 -0.493) 5.729 6.887 ( 7.201 -2.704 -2.589) 8.116 7.113 ( -3.439 -0.112 -8.364) 9.044 7.265 ( -2.275 -4.115 -5.941) 7.577 7.328 ( -3.327 -8.703 8.495) 12.609 7.454 ( -5.404 -0.551 1.176) 5.558 7.696 ( 1.760 1.961 2.440) 3.591 7.796 ( 6.390 -2.189 -0.786) 6.800 7.937 ( -6.187 1.590 2.887) 7.010 8.031 ( 3.943 2.151 -3.008) 5.406 8.131 ( -3.252 -1.330 -0.367) 3.533 8.425 ( 2.295 -4.500 -0.151) 5.054 8.604 ( 6.574 -7.250 6.796) 11.915 10.055 ( -0.904 2.034 0.750) 2.349 10.958 ( -0.186 1.747 -0.473) 1.819 12.759 ( 0.427 0.407 0.085) 0.596 13.537 ( -3.761 -2.006 -2.701) 5.047 14.029 ( -0.626 5.138 3.407) 6.196 14.092 ( -1.101 9.677 1.329) 9.830 14.584 ( -4.107 -2.481 -3.851) 6.153 ======================= Grid point 101 (41/160) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -23.467 27.835 14.526) 39.198 1.514 ( -7.134 36.013 21.463) 42.526 2.140 ( -25.722 45.680 18.399) 55.560 3.051 ( -3.209 -3.986 -1.701) 5.393 3.331 ( -3.615 -9.777 6.613) 12.344 3.812 ( 2.864 -14.648 -3.962) 15.443 4.030 ( 1.083 -13.669 3.253) 14.092 4.171 ( -4.324 -8.238 9.153) 13.051 4.295 ( 3.804 -4.038 -0.839) 5.611 4.567 ( 0.298 -8.225 -16.117) 18.097 4.826 ( -1.293 3.435 -4.891) 6.115 4.889 ( 10.257 3.447 -19.950) 22.696 5.002 ( 3.663 5.302 -5.509) 8.478 5.132 ( 10.692 -9.325 -2.534) 14.412 5.352 ( 12.711 -1.020 5.943) 14.069 5.506 ( -4.934 -0.687 -3.491) 6.083 5.667 ( -3.059 1.774 4.856) 6.007 5.941 ( 6.723 13.350 1.628) 15.036 6.370 ( -3.177 15.201 3.390) 15.895 6.566 ( 3.145 -2.901 -2.187) 4.805 6.902 ( -3.708 -1.757 -16.715) 17.212 7.006 ( -6.766 1.904 2.940) 7.619 7.196 ( -4.008 -3.593 -7.309) 9.078 7.357 ( -3.919 -0.586 7.668) 8.632 7.480 ( 4.033 -5.979 4.316) 8.405 7.721 ( -4.661 -2.263 0.301) 5.190 7.826 ( 2.169 -0.035 11.245) 11.452 7.998 ( 6.811 -0.800 -1.814) 7.094 8.072 ( 5.450 1.919 0.697) 5.820 8.103 ( -0.802 -0.805 0.605) 1.287 8.433 ( -4.199 -1.378 -5.581) 7.119 8.862 ( 6.164 -14.021 16.510) 22.520 10.016 ( -1.325 2.001 -0.573) 2.467 10.953 ( 0.689 0.470 1.902) 2.077 12.762 ( 0.197 0.142 -0.147) 0.284 13.494 ( -1.360 -0.493 -0.740) 1.625 13.971 ( 0.209 7.252 0.129) 7.256 14.001 ( -0.383 7.634 0.958) 7.703 14.457 ( -9.343 1.429 -11.174) 14.636 ======================= Grid point 102 (42/160) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -5.779 28.995 20.875) 36.192 1.143 ( -14.951 18.182 37.096) 43.935 1.816 ( 16.420 45.287 44.150) 65.343 3.017 ( -1.728 -0.994 0.450) 2.044 3.332 ( -8.883 -7.112 1.456) 11.472 3.919 ( -5.666 -9.170 -4.985) 11.876 4.043 ( -4.678 -9.144 -1.568) 10.390 4.309 ( -2.601 -0.626 -2.735) 3.826 4.329 ( 3.767 -3.349 5.726) 7.628 4.491 ( -2.211 -4.257 -18.244) 18.864 4.784 ( -0.049 4.133 -15.631) 16.168 4.953 ( 5.852 -5.732 -3.148) 8.776 4.993 ( 9.429 -0.068 -7.735) 12.196 5.336 ( 1.135 -2.382 2.913) 3.931 5.453 ( 0.963 -3.348 -1.218) 3.690 5.501 ( 3.968 2.022 12.337) 13.116 5.769 ( 7.849 0.921 8.459) 11.576 5.995 ( 13.466 12.836 -0.315) 18.606 6.165 ( -6.157 9.544 1.420) 11.446 6.604 ( 1.033 -2.328 -16.350) 16.547 6.677 ( -14.044 -0.923 -4.460) 14.764 6.885 ( -3.641 -1.446 -5.990) 7.157 7.163 ( 1.309 -0.956 -3.155) 3.547 7.296 ( -2.865 4.591 0.806) 5.471 7.622 ( -1.711 -3.883 0.612) 4.287 7.709 ( 5.753 1.671 3.905) 7.151 7.923 ( 0.906 0.469 3.356) 3.508 8.041 ( -0.278 -0.427 -2.654) 2.703 8.102 ( 2.011 0.022 -0.311) 2.035 8.255 ( -4.536 2.562 -0.818) 5.273 8.285 ( 3.833 -4.539 11.856) 13.261 9.233 ( 0.017 -27.095 18.091) 32.579 9.978 ( -0.969 0.976 -1.049) 1.730 11.010 ( 0.943 -5.561 5.504) 7.881 12.762 ( -0.043 -0.100 -0.197) 0.225 13.510 ( 3.283 0.019 1.323) 3.540 13.909 ( -1.448 4.129 -0.544) 4.410 13.981 ( 2.012 4.527 -0.145) 4.956 14.084 ( -6.341 20.765 -19.285) 29.040 ======================= Grid point 105 (43/160) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 23.597 0.000 5.149) 24.153 2.951 ( -0.149 -0.000 13.739) 13.740 3.063 ( -1.135 -0.000 0.105) 1.140 3.210 ( 9.435 0.000 -2.294) 9.710 3.326 ( 12.163 0.000 1.793) 12.295 3.599 ( -5.707 -0.000 2.728) 6.325 3.837 ( 3.866 0.000 -10.739) 11.414 3.850 ( -11.064 -0.000 -28.710) 30.768 4.191 ( 2.874 0.000 -4.014) 4.937 4.303 ( 15.071 0.000 -1.162) 15.115 4.665 ( 14.542 0.000 21.152) 25.669 4.763 ( -23.301 -0.000 11.234) 25.868 4.810 ( -12.894 -0.000 3.631) 13.395 5.159 ( -9.908 -0.000 -17.911) 20.468 5.163 ( -8.130 -0.000 -1.420) 8.253 5.819 ( -6.066 -0.000 4.118) 7.332 5.914 ( 0.918 0.000 -2.136) 2.325 6.162 ( 1.019 0.000 4.575) 4.687 6.280 ( 7.273 0.000 11.121) 13.288 6.396 ( -1.137 -0.000 -4.851) 4.983 6.682 ( 14.525 0.000 6.703) 15.997 7.016 ( 3.372 0.000 -7.122) 7.880 7.194 ( 1.759 0.000 -1.408) 2.253 7.243 ( -10.833 -0.000 -9.728) 14.560 7.512 ( -0.849 -0.000 -8.947) 8.987 7.599 ( 0.995 0.000 4.772) 4.874 7.794 ( 1.215 0.000 2.343) 2.639 8.050 ( 0.904 0.000 4.180) 4.276 8.135 ( -0.818 -0.000 5.860) 5.916 8.182 ( 0.640 0.000 -0.329) 0.720 8.306 ( -6.033 -0.000 2.500) 6.530 8.580 ( -13.965 -0.000 -4.735) 14.746 10.017 ( 2.649 0.000 0.790) 2.764 11.053 ( 0.233 0.000 -0.299) 0.379 12.753 ( 0.074 0.000 0.567) 0.572 13.555 ( 0.530 0.000 -4.989) 5.018 13.958 ( 3.171 0.000 4.722) 5.688 14.166 ( 8.637 0.000 3.260) 9.231 14.627 ( 3.170 0.000 -4.962) 5.888 ======================= Grid point 106 (44/160) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( -3.861 1.463 -0.491) 4.158 2.956 ( -3.704 2.993 5.240) 7.080 3.124 ( -0.524 13.452 -2.899) 13.771 3.214 ( 11.697 1.048 5.630) 13.024 3.524 ( -2.810 -0.755 -20.838) 21.040 3.578 ( 1.643 1.227 -11.593) 11.773 3.683 ( 0.531 -18.229 6.936) 19.511 3.920 ( 12.111 3.291 11.300) 16.888 4.221 ( -1.580 9.007 -3.801) 9.903 4.382 ( 5.211 0.779 -8.834) 10.286 4.461 ( -8.257 -4.915 1.613) 9.743 4.638 ( -11.677 -6.140 -0.793) 13.217 4.916 ( -2.719 1.612 -1.783) 3.629 5.027 ( -3.452 -6.904 -4.781) 9.080 5.197 ( 9.423 2.303 15.990) 18.703 5.662 ( -9.509 1.140 -1.836) 9.751 5.862 ( -4.931 0.287 -2.528) 5.548 6.182 ( 7.513 11.179 5.500) 14.548 6.365 ( 3.024 3.525 2.125) 5.108 6.479 ( 4.010 -6.150 3.655) 8.201 6.907 ( -0.224 -0.737 1.641) 1.812 6.985 ( 1.209 5.914 -8.543) 10.460 7.091 ( 2.500 -6.633 1.505) 7.246 7.239 ( -0.294 -8.381 -3.664) 9.152 7.481 ( 1.717 1.728 -10.049) 10.340 7.597 ( -4.124 -0.474 6.348) 7.585 7.805 ( -0.740 -0.254 2.207) 2.341 8.106 ( 2.571 -0.003 3.457) 4.308 8.140 ( -1.471 1.397 1.211) 2.363 8.176 ( -0.614 -1.367 0.806) 1.702 8.250 ( -4.381 -1.407 -2.776) 5.374 8.359 ( -6.148 2.376 -1.394) 6.737 10.062 ( 1.992 0.296 2.097) 2.908 11.047 ( 0.066 0.956 -1.268) 1.589 12.759 ( 0.282 0.263 0.778) 0.869 13.543 ( -0.474 -2.137 -4.332) 4.854 14.036 ( 2.921 0.502 5.922) 6.622 14.290 ( 5.872 2.422 2.592) 6.860 14.623 ( -0.950 -0.495 -3.577) 3.734 ======================= Grid point 107 (45/160) ======================= q-point: (-0.56 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -14.233 5.520 3.469) 15.655 2.861 ( 0.137 24.030 12.318) 27.004 2.996 ( -2.315 -4.080 -4.975) 6.838 3.238 ( -4.661 -4.233 -7.050) 9.452 3.390 ( -5.728 5.862 -6.975) 10.762 3.504 ( -0.414 3.580 -9.343) 10.014 3.840 ( -2.144 -6.859 0.308) 7.193 4.115 ( -2.362 -8.325 11.524) 14.412 4.145 ( 6.945 4.925 13.079) 15.606 4.497 ( 12.676 -1.685 -11.348) 17.097 4.517 ( 0.215 -7.315 -13.930) 15.735 4.620 ( 11.809 -2.906 -1.332) 12.234 4.900 ( -5.819 3.346 -8.486) 10.820 4.916 ( -3.869 -1.125 6.688) 7.808 5.127 ( -5.457 8.481 -3.092) 10.549 5.686 ( 0.368 -7.035 10.157) 12.361 5.747 ( -5.898 -0.908 -5.805) 8.325 6.251 ( 7.083 7.661 7.099) 12.619 6.446 ( 6.379 8.728 3.811) 11.463 6.574 ( -1.244 -5.228 -2.392) 5.882 6.745 ( -0.743 -1.510 -3.310) 3.713 7.022 ( 2.713 1.508 2.422) 3.937 7.196 ( -0.214 -5.244 -5.285) 7.448 7.336 ( -6.073 -3.395 -2.610) 7.431 7.427 ( 6.091 -7.326 -2.274) 9.795 7.571 ( -1.279 2.844 3.043) 4.357 7.809 ( -0.370 0.588 1.481) 1.635 8.070 ( -5.038 0.962 -5.444) 7.479 8.095 ( -2.907 2.289 -0.966) 3.824 8.145 ( -2.627 -1.793 0.248) 3.190 8.260 ( 3.039 -4.108 4.799) 7.010 8.358 ( 3.552 0.067 2.101) 4.127 10.092 ( 0.789 0.917 2.448) 2.731 11.023 ( -0.479 1.541 -1.566) 2.249 12.765 ( 0.294 0.410 0.687) 0.852 13.528 ( -1.773 -2.506 -3.137) 4.389 14.096 ( 1.915 1.960 5.619) 6.251 14.330 ( 2.519 6.345 1.396) 6.968 14.581 ( -3.083 -2.090 -2.442) 4.454 ======================= Grid point 108 (46/160) ======================= q-point: (-0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -21.104 14.094 10.901) 27.620 2.614 ( -2.938 36.568 14.056) 39.286 3.033 ( 0.903 -3.629 -3.306) 4.991 3.173 ( -8.361 4.081 3.636) 9.989 3.250 ( -2.024 -21.298 -10.031) 23.628 3.474 ( 4.658 2.847 -5.583) 7.808 3.776 ( -9.266 11.960 -1.946) 15.254 4.041 ( -15.236 0.741 14.967) 21.371 4.222 ( -1.076 -2.887 0.550) 3.130 4.510 ( 3.810 2.520 -7.782) 9.024 4.657 ( 12.047 -5.945 -7.168) 15.227 4.826 ( 8.122 -6.759 -7.485) 12.949 4.876 ( 13.087 -2.343 -12.547) 18.281 5.002 ( 6.258 0.939 -0.029) 6.328 5.043 ( -1.133 -3.660 5.653) 6.830 5.638 ( -3.936 -0.167 -7.570) 8.534 5.769 ( -0.463 0.170 7.535) 7.552 6.276 ( -5.771 10.481 -3.952) 12.601 6.379 ( 8.852 0.957 8.157) 12.076 6.625 ( -0.458 -2.696 2.187) 3.502 6.866 ( 7.338 0.506 -0.561) 7.376 7.075 ( -2.183 -4.585 -3.357) 6.088 7.152 ( -3.251 -1.971 -7.728) 8.613 7.210 ( -5.203 -4.762 3.756) 7.991 7.500 ( -4.164 3.365 -0.592) 5.387 7.648 ( 6.730 -5.860 1.315) 9.020 7.795 ( 0.859 1.572 1.269) 2.196 7.959 ( -4.049 0.783 0.350) 4.139 8.077 ( 2.117 1.819 -0.348) 2.813 8.100 ( -3.477 -1.235 -2.087) 4.239 8.359 ( 2.313 -2.565 2.660) 4.359 8.470 ( 3.393 -6.464 4.549) 8.601 10.093 ( -0.491 1.779 1.455) 2.350 10.990 ( -0.726 1.505 -1.047) 1.972 12.767 ( 0.122 0.383 0.301) 0.502 13.502 ( -2.132 -1.615 -1.317) 2.981 14.115 ( 0.548 3.899 3.940) 5.570 14.270 ( -0.932 8.581 -0.352) 8.639 14.543 ( -2.898 -2.099 -2.142) 4.171 ======================= Grid point 109 (47/160) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -22.011 20.157 18.507) 35.118 2.253 ( -6.536 39.125 8.617) 40.592 2.993 ( -3.191 23.391 1.510) 23.656 3.053 ( -0.769 8.947 3.997) 9.829 3.211 ( -11.490 8.734 5.705) 15.519 3.462 ( 3.267 -23.222 -4.402) 23.861 3.734 ( 4.837 -11.810 6.033) 14.117 3.986 ( -8.391 -10.295 9.088) 16.093 4.205 ( -2.205 -4.705 -5.576) 7.622 4.513 ( 2.708 0.989 -8.452) 8.930 4.888 ( 3.263 -11.143 -3.489) 12.124 4.910 ( -2.414 2.454 -8.461) 9.135 4.973 ( 9.722 -0.312 -10.455) 14.280 5.020 ( 12.360 -1.127 -6.722) 14.114 5.283 ( 11.782 -4.299 1.215) 12.601 5.553 ( -1.054 2.505 -0.884) 2.858 5.748 ( -0.639 6.323 5.238) 8.236 6.152 ( 3.233 8.786 0.619) 9.382 6.542 ( -2.043 2.982 -1.991) 4.127 6.583 ( 2.426 1.078 2.915) 3.943 6.883 ( -4.490 -1.361 -14.869) 15.592 6.982 ( -3.827 -2.692 2.590) 5.348 7.111 ( -2.800 -3.008 -8.036) 9.026 7.284 ( -1.072 -6.111 11.300) 12.892 7.414 ( 0.299 0.254 2.682) 2.710 7.717 ( -2.686 1.036 0.235) 2.888 7.832 ( 2.984 0.191 6.425) 7.087 7.981 ( 4.895 -1.209 -0.035) 5.042 8.061 ( -1.554 -2.545 -0.802) 3.088 8.108 ( 3.907 0.920 -1.395) 4.250 8.399 ( -1.203 -1.533 -1.434) 2.420 8.621 ( 0.346 -11.484 10.277) 15.415 10.060 ( -1.364 2.383 -0.343) 2.767 10.967 ( -0.343 0.890 0.187) 0.972 12.765 ( -0.110 0.178 -0.162) 0.265 13.485 ( -0.563 -0.369 0.965) 1.177 14.083 ( -0.798 5.583 1.660) 5.879 14.164 ( -0.865 8.210 -1.286) 8.355 14.480 ( -4.105 0.844 -5.368) 6.810 ======================= Grid point 110 (48/160) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -11.353 22.053 25.864) 35.835 1.710 ( -13.375 40.180 3.281) 42.474 2.735 ( 14.787 48.859 28.292) 58.364 3.023 ( 0.789 1.843 0.284) 2.025 3.179 ( -4.418 -7.955 4.000) 9.940 3.664 ( -1.149 -17.934 -5.634) 18.834 3.874 ( -6.871 -9.192 3.462) 11.987 4.124 ( 5.167 -15.201 11.696) 19.863 4.205 ( -1.926 -7.705 -7.947) 11.235 4.486 ( 1.982 2.172 -9.504) 9.948 4.782 ( -3.422 -1.662 -4.946) 6.239 4.883 ( -0.467 0.895 -14.534) 14.569 5.078 ( 6.244 -1.245 -9.650) 11.561 5.256 ( 10.083 -3.283 3.096) 11.047 5.405 ( 4.435 -2.563 -5.427) 7.462 5.539 ( -3.070 1.932 8.510) 9.251 5.821 ( 12.149 5.358 8.588) 15.813 6.167 ( 1.781 4.139 0.157) 4.509 6.342 ( -3.502 11.919 -3.070) 12.796 6.581 ( 0.223 -2.159 -20.106) 20.222 6.727 ( -11.478 5.755 1.276) 12.903 6.840 ( -8.471 -4.118 -5.134) 10.727 7.137 ( 5.612 -0.974 -3.010) 6.443 7.347 ( -1.163 -1.533 4.415) 4.816 7.562 ( -0.272 -1.867 5.372) 5.694 7.674 ( 5.911 -2.957 5.823) 8.809 7.926 ( 1.141 -0.765 8.374) 8.486 8.030 ( 2.489 -0.668 -3.890) 4.666 8.092 ( 1.668 -0.960 0.881) 2.116 8.190 ( 4.248 -4.131 -0.692) 5.965 8.311 ( -7.219 2.241 -1.584) 7.723 8.813 ( -2.719 -18.129 14.991) 23.681 10.009 ( -1.234 2.127 -1.651) 2.962 10.967 ( 0.095 -0.354 1.796) 1.833 12.759 ( -0.286 -0.129 -0.433) 0.535 13.513 ( 2.829 0.241 3.109) 4.210 14.006 ( -2.023 5.808 -0.159) 6.153 14.093 ( 0.655 6.862 -1.062) 6.975 14.324 ( -3.106 7.291 -12.032) 14.407 ======================= Grid point 111 (49/160) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 10.508 20.236 19.821) 30.213 1.474 ( 9.775 16.613 25.603) 32.048 2.836 ( 27.488 41.593 35.149) 61.000 3.043 ( 0.996 -1.524 -0.161) 1.827 3.185 ( -1.927 -1.124 0.374) 2.262 3.670 ( -7.460 -9.217 -10.435) 15.796 3.861 ( -4.855 -9.687 -0.262) 10.838 4.101 ( -10.147 -2.813 -10.654) 14.980 4.382 ( 1.681 -5.903 -3.069) 6.862 4.460 ( 5.107 0.451 2.346) 5.638 4.735 ( -0.746 5.856 -16.899) 17.900 4.912 ( 5.233 -17.731 3.066) 18.740 5.092 ( 2.142 2.892 -3.536) 5.046 5.322 ( -4.312 0.197 5.183) 6.745 5.484 ( 1.870 -0.720 -2.638) 3.313 5.611 ( 5.480 -5.345 8.546) 11.473 5.920 ( -5.700 0.791 -4.347) 7.212 6.052 ( -1.854 2.441 7.299) 7.917 6.316 ( 9.010 13.698 -0.638) 16.408 6.411 ( -14.869 5.161 6.373) 16.980 6.571 ( 6.598 -1.112 -20.962) 22.004 6.787 ( 0.619 -6.026 -12.116) 13.546 7.227 ( 3.696 1.495 2.227) 4.566 7.330 ( 1.240 5.324 0.471) 5.487 7.543 ( -0.797 -3.910 0.658) 4.044 7.827 ( 1.824 1.669 2.803) 3.737 7.937 ( -3.149 4.157 -3.033) 6.033 8.027 ( -2.831 -1.234 0.513) 3.131 8.128 ( 0.346 -0.553 0.889) 1.102 8.129 ( -5.311 1.416 8.626) 10.228 8.362 ( 3.829 -8.039 2.159) 9.162 8.985 ( -9.978 -20.709 13.091) 26.453 9.970 ( -0.317 1.309 -1.901) 2.329 10.993 ( -0.220 -2.209 2.976) 3.713 12.754 ( -0.356 -0.397 -0.399) 0.666 13.610 ( 6.577 -0.271 4.497) 7.972 13.916 ( -5.754 8.429 -3.343) 10.740 13.930 ( -2.559 8.710 -2.416) 9.394 14.284 ( 13.062 4.166 -11.158) 17.676 ======================= Grid point 115 (50/160) ======================= q-point: (-0.67 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -11.024 -0.000 1.284) 11.099 2.857 ( -3.434 -0.000 -8.258) 8.944 3.173 ( -6.116 -0.000 -13.078) 14.437 3.389 ( 2.431 0.000 18.094) 18.257 3.440 ( -2.674 -0.000 3.453) 4.367 3.569 ( -0.224 -0.000 -12.231) 12.233 3.592 ( 4.803 0.000 3.945) 6.215 4.055 ( -21.000 -0.000 22.929) 31.092 4.237 ( 11.146 0.000 5.864) 12.594 4.320 ( -1.964 -0.000 -14.253) 14.388 4.532 ( 8.850 0.000 -15.031) 17.443 4.596 ( 20.999 0.000 -6.779) 22.066 4.871 ( 1.775 0.000 -14.411) 14.520 4.890 ( -5.451 -0.000 8.223) 9.865 5.429 ( -13.327 -0.000 -6.759) 14.942 5.494 ( 6.104 0.000 17.402) 18.442 5.742 ( -5.823 -0.000 -4.615) 7.430 6.304 ( 0.332 0.000 1.485) 1.522 6.529 ( 0.731 0.000 -0.802) 1.085 6.558 ( 15.253 0.000 4.619) 15.937 6.715 ( -10.158 -0.000 -6.862) 12.259 7.041 ( 0.381 0.000 1.552) 1.598 7.188 ( 0.794 0.000 -2.681) 2.796 7.223 ( 10.174 0.000 7.017) 12.359 7.368 ( -8.465 -0.000 -7.957) 11.618 7.606 ( 0.979 0.000 2.163) 2.375 7.814 ( 0.243 0.000 2.034) 2.049 8.080 ( -7.029 -0.000 -5.534) 8.946 8.108 ( -3.328 -0.000 -2.208) 3.993 8.157 ( 0.892 0.000 2.188) 2.362 8.194 ( 1.754 0.000 3.591) 3.997 8.366 ( 1.834 0.000 1.966) 2.688 10.101 ( 0.957 0.000 2.650) 2.818 11.039 ( -0.643 -0.000 -1.689) 1.807 12.769 ( 0.194 0.000 0.814) 0.837 13.503 ( -1.023 -0.000 -2.757) 2.941 14.115 ( 2.446 0.000 5.745) 6.244 14.398 ( 4.321 0.000 1.601) 4.608 14.556 ( -4.386 -0.000 -3.135) 5.391 ======================= Grid point 117 (51/160) ======================= q-point: (-0.56 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -15.847 4.148 6.407) 17.589 2.830 ( -0.406 -9.498 -4.209) 10.397 3.077 ( 0.118 -1.185 -8.438) 8.521 3.254 ( -1.535 24.673 11.824) 27.403 3.315 ( -15.772 9.300 9.082) 20.439 3.506 ( 2.397 1.520 -10.818) 11.184 3.697 ( -5.055 -8.896 5.868) 11.795 4.097 ( 3.225 -9.447 17.161) 19.853 4.211 ( -5.011 -1.257 -3.295) 6.128 4.341 ( -1.448 -3.485 -6.592) 7.595 4.700 ( 19.217 -0.075 -17.458) 25.963 4.802 ( -4.615 7.131 5.646) 10.199 4.866 ( 14.285 -0.342 -22.746) 26.862 4.937 ( 6.206 -5.778 7.156) 11.095 5.162 ( -0.587 12.628 -1.041) 12.685 5.604 ( -3.541 -3.844 -2.606) 5.840 5.726 ( 3.241 -3.928 7.330) 8.925 6.319 ( -1.129 -4.075 3.153) 5.275 6.391 ( -9.111 1.058 -8.365) 12.414 6.626 ( 1.855 3.709 1.576) 4.436 6.820 ( 7.893 -4.384 -1.716) 9.191 7.045 ( -1.843 0.930 2.089) 2.936 7.133 ( -8.104 -2.292 3.460) 9.105 7.218 ( 3.040 6.072 -7.433) 10.067 7.448 ( 5.564 -7.557 1.924) 9.579 7.620 ( 1.307 1.940 2.646) 3.531 7.818 ( -0.488 0.691 1.092) 1.382 7.972 ( -2.518 0.649 -2.717) 3.761 8.043 ( -3.951 -2.199 -2.564) 5.198 8.149 ( -0.052 3.547 1.951) 4.048 8.294 ( 3.591 -4.208 4.910) 7.397 8.398 ( 0.510 -1.006 0.943) 1.470 10.117 ( -0.239 0.693 1.937) 2.071 11.011 ( -1.200 0.580 -1.488) 1.997 12.772 ( -0.088 0.158 0.450) 0.485 13.480 ( -1.049 -0.618 -0.464) 1.303 14.168 ( 1.445 1.515 4.177) 4.672 14.407 ( -1.517 5.914 -1.280) 6.238 14.494 ( -1.645 -3.384 -1.504) 4.052 ======================= Grid point 118 (52/160) ======================= q-point: (-0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -16.440 12.847 13.391) 24.792 2.927 ( -6.703 26.628 3.273) 27.653 2.972 ( -0.031 -14.956 0.242) 14.958 3.071 ( 1.964 3.206 1.451) 4.030 3.148 ( -5.728 1.658 7.292) 9.420 3.532 ( 5.065 -2.120 -5.104) 7.497 3.707 ( -4.566 -4.602 3.464) 7.350 3.996 ( -10.015 22.608 9.989) 26.668 4.136 ( -0.640 -2.108 -11.162) 11.378 4.449 ( 0.220 -15.724 1.490) 15.796 4.691 ( 0.263 3.077 4.000) 5.054 4.905 ( 3.155 -3.340 1.159) 4.738 4.965 ( 11.258 0.128 -19.865) 22.834 5.052 ( 11.637 1.251 -13.283) 17.704 5.243 ( 10.277 1.246 2.814) 10.728 5.568 ( -0.854 -0.797 -1.190) 1.668 5.841 ( 3.342 1.657 7.346) 8.239 6.263 ( -0.989 2.294 -0.093) 2.500 6.394 ( -2.046 -13.522 1.753) 13.788 6.615 ( -0.406 2.400 -3.640) 4.379 6.806 ( -5.941 -5.988 -13.517) 15.933 7.000 ( -1.228 3.598 2.974) 4.827 7.126 ( 0.407 1.018 1.387) 1.768 7.218 ( 2.346 2.070 5.769) 6.563 7.457 ( -3.279 3.124 -1.364) 4.730 7.716 ( 4.338 -2.123 2.785) 5.575 7.820 ( -0.626 -1.277 4.327) 4.555 7.959 ( 2.235 -0.625 -2.226) 3.216 8.001 ( -1.643 -3.181 -2.194) 4.199 8.135 ( 0.968 2.055 0.938) 2.458 8.385 ( 0.153 -0.084 0.207) 0.271 8.436 ( -0.994 -7.885 6.523) 10.281 10.099 ( -1.367 1.566 0.075) 2.080 10.982 ( -0.762 0.591 -0.691) 1.186 12.768 ( -0.390 0.130 -0.145) 0.436 13.480 ( 0.141 -0.193 2.281) 2.293 14.173 ( 0.056 3.664 1.901) 4.128 14.295 ( -2.898 5.387 -2.166) 6.489 14.487 ( -1.118 -0.089 -3.037) 3.237 ======================= Grid point 119 (53/160) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -9.338 19.342 17.603) 27.770 2.461 ( -11.187 38.040 -2.779) 39.748 3.016 ( -5.434 -3.691 4.375) 7.892 3.114 ( 4.221 3.069 2.324) 5.713 3.258 ( 0.725 -22.288 -0.652) 22.309 3.524 ( 6.174 22.624 9.383) 25.259 3.745 ( 1.975 -0.560 7.532) 7.806 3.881 ( 0.873 -5.644 12.080) 13.362 4.103 ( 0.490 -3.179 -10.522) 11.002 4.511 ( 1.007 -1.120 -3.604) 3.906 4.735 ( -4.083 -6.053 -3.874) 8.265 4.840 ( -3.814 0.396 -1.237) 4.029 5.027 ( 4.394 -1.837 -12.473) 13.351 5.237 ( 14.716 -1.042 -7.466) 16.534 5.361 ( 5.712 -0.288 -3.589) 6.752 5.569 ( -2.345 0.620 5.557) 6.063 5.936 ( 8.019 5.015 10.550) 14.169 6.240 ( -3.559 3.815 1.247) 5.364 6.436 ( -2.538 -9.246 -11.684) 15.114 6.553 ( 2.974 3.769 -8.551) 9.807 6.733 ( -3.643 -3.454 -4.060) 6.456 6.880 ( -10.959 7.158 0.793) 13.114 7.120 ( 3.822 0.199 -3.130) 4.944 7.298 ( 1.422 -1.407 5.790) 6.126 7.479 ( 4.897 -5.685 7.391) 10.532 7.695 ( -1.813 3.860 1.563) 4.542 7.888 ( -1.932 -3.837 6.155) 7.506 8.001 ( 3.440 -2.717 -1.941) 4.794 8.060 ( 3.988 -2.654 -1.534) 5.030 8.145 ( 0.631 -0.328 -0.767) 1.046 8.335 ( -5.069 0.209 -0.488) 5.097 8.539 ( -2.649 -10.388 8.947) 13.964 10.050 ( -1.652 2.000 -1.704) 3.104 10.972 ( 0.293 0.489 0.183) 0.599 12.757 ( -0.551 -0.083 -0.647) 0.853 13.518 ( 2.447 0.294 4.811) 5.406 14.112 ( -2.699 5.033 -0.433) 5.727 14.219 ( 1.183 5.995 -1.457) 6.282 14.416 ( -2.173 3.083 -7.027) 7.975 ======================= Grid point 120 (54/160) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 5.444 19.503 16.646) 26.213 1.954 ( -2.622 33.996 2.761) 34.208 2.994 ( -2.712 -3.719 -0.403) 4.620 3.190 ( 4.859 1.706 3.836) 6.421 3.412 ( 1.008 -10.908 -6.085) 12.531 3.571 ( 15.633 22.155 19.044) 33.135 3.738 ( -4.838 -0.374 5.208) 7.118 4.044 ( -5.495 -2.312 -10.880) 12.406 4.178 ( 8.985 -12.719 15.471) 21.951 4.497 ( -0.261 3.643 -3.614) 5.139 4.667 ( 0.434 -8.601 -4.009) 9.499 4.826 ( -1.085 0.433 -6.181) 6.290 5.008 ( -1.083 -5.691 -11.831) 13.173 5.357 ( -1.714 3.127 3.056) 4.696 5.468 ( 7.267 -5.469 -4.386) 10.098 5.543 ( -1.758 0.913 8.540) 8.766 5.991 ( -8.439 8.594 -7.551) 14.216 6.109 ( 1.682 1.597 11.581) 11.811 6.467 ( -1.107 -2.040 -4.348) 4.928 6.543 ( 8.260 8.049 -11.110) 16.014 6.591 ( -6.080 4.436 -8.426) 11.298 6.699 ( -0.792 0.321 -0.460) 0.970 7.211 ( 3.581 -4.331 -0.680) 5.660 7.344 ( -0.473 -2.180 3.181) 3.885 7.544 ( -0.331 2.242 1.697) 2.831 7.830 ( 8.533 -4.049 3.808) 10.183 7.893 ( -4.828 -6.237 10.150) 12.854 8.019 ( -3.848 0.901 -6.622) 7.712 8.113 ( 0.623 -1.279 -0.670) 1.573 8.139 ( -0.871 -0.317 4.901) 4.988 8.273 ( 0.047 -0.813 -1.991) 2.151 8.635 ( -6.728 -15.246 9.386) 19.126 10.001 ( -0.732 1.773 -2.218) 2.932 10.980 ( 0.797 0.332 0.721) 1.125 12.746 ( -0.521 -0.386 -0.798) 1.028 13.607 ( 4.958 -0.056 6.375) 8.077 14.012 ( -2.949 4.697 -1.277) 5.691 14.136 ( -2.841 9.848 -3.491) 10.828 14.355 ( 6.120 3.120 -8.159) 10.666 ======================= Grid point 121 (55/160) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 18.308 10.841 16.324) 26.817 1.960 ( 20.388 13.116 12.010) 27.054 2.979 ( -2.512 -3.120 -3.858) 5.561 3.240 ( 2.243 4.118 -0.048) 4.689 3.436 ( -1.562 -4.222 -10.645) 11.558 3.700 ( -1.385 0.656 5.607) 5.813 3.784 ( 16.681 13.968 15.114) 26.491 3.882 ( -5.199 -0.484 -4.029) 6.596 4.320 ( -1.011 4.561 -4.573) 6.538 4.578 ( 6.050 -3.065 10.092) 12.159 4.695 ( -1.213 7.007 -15.088) 16.680 4.852 ( 3.691 -15.525 4.063) 16.467 5.029 ( -1.446 -12.608 -4.726) 13.542 5.214 ( -12.599 1.308 3.251) 13.077 5.464 ( -5.002 7.477 -4.460) 10.041 5.551 ( -7.116 -3.122 -0.463) 7.785 5.842 ( 1.907 -3.446 9.435) 10.224 6.117 ( -5.932 5.330 1.020) 8.040 6.313 ( -6.120 2.659 11.200) 13.037 6.507 ( 6.904 6.038 -12.114) 15.194 6.651 ( 7.651 -2.110 -17.380) 19.106 6.721 ( 5.602 4.275 1.533) 7.212 7.260 ( 0.559 -1.153 -0.005) 1.281 7.381 ( 2.041 -2.648 1.058) 3.507 7.577 ( 4.038 0.579 -1.879) 4.492 7.796 ( -9.949 2.429 -6.473) 12.115 7.837 ( -5.877 1.346 8.060) 10.065 8.040 ( 3.968 -0.033 4.343) 5.883 8.113 ( -1.835 -0.872 0.690) 2.145 8.159 ( -0.338 1.524 3.351) 3.697 8.326 ( 1.075 -6.644 -0.016) 6.730 8.690 ( -10.665 -16.468 6.348) 20.621 9.974 ( 0.593 1.229 -1.688) 2.171 10.996 ( 0.585 -0.396 0.884) 1.132 12.740 ( -0.348 -0.630 -0.569) 0.917 13.738 ( 5.395 -0.886 6.129) 8.213 13.906 ( -2.666 7.286 -3.261) 8.416 13.977 ( -0.011 7.990 -2.815) 8.471 14.444 ( 10.097 0.742 -6.464) 12.012 ======================= Grid point 126 (56/160) ======================= q-point: (-0.56 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -12.731 -0.000 10.462) 16.478 2.785 ( 2.588 0.000 0.218) 2.597 3.103 ( 4.840 0.000 0.048) 4.840 3.110 ( -18.771 -0.000 10.691) 21.602 3.346 ( -4.943 -0.000 6.669) 8.301 3.502 ( 3.815 0.000 -9.571) 10.303 3.655 ( -1.718 -0.000 4.951) 5.241 4.100 ( 0.903 0.000 -12.376) 12.409 4.106 ( -11.085 -0.000 -12.239) 16.513 4.339 ( 5.671 0.000 23.475) 24.150 4.826 ( -1.049 -0.000 0.202) 1.068 4.844 ( 1.056 0.000 7.280) 7.356 4.973 ( 16.788 0.000 -19.099) 25.428 5.034 ( 9.942 0.000 -15.388) 18.321 5.302 ( 7.412 0.000 1.694) 7.603 5.540 ( -0.493 -0.000 -0.997) 1.112 5.809 ( 4.807 0.000 6.509) 8.092 6.260 ( -5.582 -0.000 5.505) 7.840 6.261 ( -1.828 -0.000 -1.440) 2.327 6.680 ( 2.978 0.000 -1.540) 3.353 6.705 ( -6.709 -0.000 -18.066) 19.271 7.046 ( -2.525 -0.000 3.964) 4.700 7.115 ( -0.254 -0.000 10.506) 10.509 7.286 ( 4.043 0.000 -5.491) 6.819 7.496 ( 1.686 0.000 0.142) 1.692 7.665 ( 0.759 0.000 6.641) 6.684 7.809 ( -0.907 -0.000 0.493) 1.032 7.956 ( -2.696 -0.000 -3.469) 4.394 7.967 ( 2.948 0.000 -3.622) 4.670 8.165 ( -1.677 -0.000 3.903) 4.248 8.350 ( 0.094 0.000 4.909) 4.910 8.386 ( 0.423 0.000 0.554) 0.697 10.114 ( -1.357 -0.000 0.269) 1.383 10.987 ( -0.889 -0.000 -0.968) 1.314 12.769 ( -0.501 -0.000 -0.131) 0.518 13.478 ( 0.417 0.000 2.770) 2.801 14.209 ( 0.467 0.000 1.985) 2.039 14.351 ( -4.503 -0.000 -2.651) 5.225 14.483 ( 0.694 0.000 -2.253) 2.358 ======================= Grid point 128 (57/160) ======================= q-point: (-0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -6.401 9.055 12.722) 16.877 2.898 ( -4.082 -7.555 3.813) 9.396 2.922 ( -0.356 -1.549 4.619) 4.884 3.158 ( -7.688 21.347 1.417) 22.734 3.199 ( 4.269 5.737 3.960) 8.174 3.549 ( 3.258 -3.977 -3.881) 6.441 3.665 ( 1.682 -2.548 5.242) 6.066 3.872 ( -12.240 -13.631 -10.334) 21.034 4.090 ( 4.081 -0.254 -8.831) 9.732 4.510 ( 1.886 3.336 11.469) 12.093 4.771 ( 0.246 8.582 4.061) 9.498 4.894 ( -2.405 0.199 7.460) 7.841 5.020 ( 6.228 5.777 -14.398) 16.717 5.179 ( 12.622 -5.606 -14.916) 20.328 5.405 ( 6.823 3.326 0.843) 7.637 5.556 ( -0.935 -1.550 3.374) 3.829 5.947 ( 4.684 -4.406 6.372) 9.053 6.197 ( -7.791 -6.085 1.800) 10.048 6.325 ( 6.497 0.381 4.616) 7.979 6.546 ( 0.054 -1.611 -16.933) 17.009 6.730 ( 4.125 0.930 -1.897) 4.635 6.979 ( -7.199 3.304 3.624) 8.710 7.146 ( -1.479 0.479 3.291) 3.640 7.308 ( 2.809 1.113 -1.823) 3.529 7.431 ( -3.105 1.667 -2.961) 4.604 7.744 ( -1.150 -1.802 4.720) 5.181 7.787 ( -3.124 -3.017 5.141) 6.730 7.949 ( 3.411 -1.516 -2.728) 4.623 8.014 ( 4.233 -1.721 -4.479) 6.399 8.159 ( -1.024 0.995 4.263) 4.495 8.318 ( -4.060 -1.326 0.559) 4.308 8.432 ( -0.372 -1.810 4.847) 5.187 10.078 ( -1.922 0.810 -1.601) 2.629 10.979 ( 0.542 0.253 -0.361) 0.699 12.756 ( -0.717 -0.024 -0.763) 1.047 13.522 ( 2.224 0.120 5.813) 6.225 14.182 ( -3.313 2.008 -0.827) 3.962 14.301 ( 1.739 2.356 -1.518) 3.299 14.452 ( -1.677 0.898 -4.979) 5.330 ======================= Grid point 129 (58/160) ======================= q-point: (-0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 3.911 14.984 11.109) 19.059 2.627 ( -7.924 35.331 -6.989) 36.877 2.899 ( -5.052 -6.667 0.825) 8.405 3.115 ( 4.974 -9.589 3.141) 11.250 3.277 ( 5.910 1.817 2.346) 6.614 3.629 ( 2.500 -4.036 3.543) 5.924 3.771 ( -2.782 -8.908 -5.212) 10.689 3.932 ( 6.487 -11.811 12.678) 18.501 4.100 ( 0.420 2.580 -4.454) 5.165 4.484 ( -4.274 -6.822 -5.086) 9.522 4.722 ( 3.887 13.676 3.373) 14.612 4.840 ( -0.820 7.493 3.770) 8.428 4.992 ( 0.542 1.114 -9.681) 9.760 5.345 ( 7.783 -4.124 -4.935) 10.097 5.441 ( -2.126 3.700 4.127) 5.937 5.553 ( -1.558 -0.376 7.586) 7.753 6.087 ( 2.912 -3.383 7.631) 8.840 6.138 ( -4.156 1.358 -3.139) 5.382 6.417 ( 5.291 1.660 -7.036) 8.958 6.545 ( 4.953 -2.564 -10.357) 11.763 6.756 ( -9.278 8.767 -4.495) 13.533 6.792 ( 2.663 5.479 8.459) 10.424 7.112 ( -0.532 -3.405 -2.282) 4.133 7.314 ( -1.343 -1.443 -1.696) 2.600 7.476 ( 0.535 -10.143 0.933) 10.200 7.718 ( 0.701 -2.723 -2.793) 3.964 7.825 ( -3.991 -3.378 9.990) 11.275 8.016 ( 2.559 -0.912 -0.019) 2.717 8.076 ( 2.781 -2.249 -2.185) 4.191 8.154 ( -0.530 1.757 3.801) 4.220 8.274 ( -1.884 0.034 -0.327) 1.913 8.443 ( -5.057 -5.211 4.268) 8.423 10.031 ( -1.127 1.260 -2.238) 2.805 10.992 ( 1.428 0.649 -0.248) 1.588 12.741 ( -0.649 -0.215 -1.113) 1.306 13.607 ( 3.658 -0.007 7.836) 8.648 14.087 ( -3.918 2.956 -1.697) 5.193 14.292 ( 0.133 6.552 -3.056) 7.231 14.394 ( 2.613 0.859 -5.801) 6.420 ======================= Grid point 130 (59/160) ======================= q-point: (-0.22 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 13.395 15.231 5.709) 21.071 2.262 ( 5.621 22.476 2.216) 23.274 2.912 ( -0.048 -4.243 -5.425) 6.887 3.251 ( 3.434 -3.043 -1.025) 4.701 3.377 ( 4.982 -2.246 -2.715) 6.102 3.662 ( -6.068 2.122 3.450) 7.296 3.776 ( -3.242 -10.834 -9.689) 14.891 3.961 ( -0.632 3.647 0.984) 3.830 4.333 ( 10.002 -15.341 19.660) 26.868 4.560 ( 0.764 -15.602 -3.879) 16.095 4.664 ( 6.152 19.802 4.460) 21.210 4.787 ( -1.561 1.572 -2.616) 3.428 4.908 ( -0.911 1.843 -10.209) 10.414 5.267 ( -12.205 4.493 7.185) 14.859 5.483 ( 1.319 -1.094 4.388) 4.711 5.607 ( 2.040 2.210 5.211) 6.017 5.926 ( -7.190 12.865 -4.021) 15.277 6.174 ( -1.732 -0.569 6.111) 6.377 6.365 ( -11.232 3.387 3.070) 12.127 6.531 ( 3.101 -1.429 -12.107) 12.579 6.605 ( 7.625 1.124 -12.221) 14.448 6.892 ( 8.286 8.573 7.649) 14.166 7.178 ( 2.347 -6.476 -3.812) 7.872 7.297 ( -1.924 -5.206 1.312) 5.703 7.544 ( -1.143 -7.207 -4.400) 8.521 7.740 ( -4.422 -6.598 -5.329) 9.565 7.837 ( -3.470 -0.647 11.149) 11.694 8.077 ( 3.882 0.786 2.507) 4.688 8.107 ( 1.541 2.513 -0.570) 3.003 8.159 ( 0.729 -0.969 2.624) 2.891 8.253 ( -0.371 -0.942 -0.999) 1.422 8.429 ( -7.806 -9.981 3.804) 13.229 10.000 ( 0.176 1.352 -1.599) 2.101 11.004 ( 1.073 0.892 -0.491) 1.479 12.730 ( -0.366 -0.476 -1.024) 1.187 13.719 ( 3.975 -0.980 8.234) 9.196 13.993 ( -2.888 3.214 -1.136) 4.467 14.155 ( -2.589 8.771 -6.223) 11.061 14.463 ( 8.036 1.007 -3.807) 8.949 ======================= Grid point 131 (60/160) ======================= q-point: (-0.11 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 15.733 3.890 12.504) 20.470 2.473 ( 23.933 7.022 1.925) 25.016 2.883 ( -2.936 -0.971 -7.687) 8.286 3.232 ( -4.104 3.331 -6.419) 8.315 3.399 ( 0.646 2.065 -4.448) 4.947 3.564 ( -2.294 -7.506 -5.752) 9.731 3.747 ( -2.153 -7.063 -8.429) 11.206 4.061 ( 5.624 0.751 9.105) 10.729 4.520 ( -5.278 2.200 -6.407) 8.588 4.640 ( 0.186 5.364 -9.796) 11.170 4.703 ( 4.883 -6.539 8.144) 11.529 4.761 ( 3.623 -1.206 -0.161) 3.822 4.913 ( 0.651 -7.103 5.615) 9.078 5.061 ( -10.000 6.313 11.887) 16.767 5.429 ( -8.722 14.193 -5.190) 17.448 5.490 ( -3.682 2.105 12.313) 13.023 5.882 ( 0.829 -4.391 6.992) 8.297 5.997 ( -10.118 6.025 -2.027) 11.949 6.306 ( -4.133 -2.246 9.549) 10.645 6.588 ( 6.271 -0.961 -6.521) 9.098 6.639 ( 5.379 0.685 -13.541) 14.587 6.942 ( 6.824 9.697 2.800) 12.184 7.238 ( 1.506 -5.340 -2.779) 6.206 7.386 ( 0.053 -6.419 -4.434) 7.802 7.520 ( -1.400 -3.175 -0.960) 3.600 7.688 ( -0.262 1.116 -5.370) 5.491 7.833 ( -4.487 0.811 9.012) 10.100 8.072 ( -1.253 -0.049 -0.844) 1.511 8.114 ( 0.946 0.567 -0.659) 1.285 8.174 ( -0.688 1.899 2.618) 3.307 8.308 ( 1.603 -2.140 2.821) 3.887 8.419 ( -7.500 -11.805 0.872) 14.013 9.995 ( 1.217 1.007 -0.477) 1.650 11.005 ( 0.361 0.278 -0.742) 0.871 12.728 ( -0.002 -0.680 -0.582) 0.895 13.813 ( 0.796 0.605 3.627) 3.762 13.925 ( -0.426 3.056 0.699) 3.164 14.037 ( 1.011 5.031 -2.714) 5.805 14.565 ( 7.278 0.610 -3.513) 8.105 ======================= Grid point 137 (61/160) ======================= q-point: ( 0.56 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 3.656 0.000 8.967) 9.684 2.787 ( -3.560 -0.000 2.062) 4.114 3.005 ( 5.414 0.000 -0.340) 5.425 3.241 ( -2.518 -0.000 3.235) 4.100 3.309 ( -13.385 -0.000 -13.342) 18.899 3.336 ( 2.753 0.000 1.530) 3.150 3.682 ( 6.376 0.000 -1.787) 6.622 3.795 ( 7.179 0.000 15.577) 17.152 4.123 ( 5.333 0.000 -8.309) 9.873 4.418 ( -12.156 -0.000 -7.076) 14.066 4.867 ( 1.185 0.000 3.969) 4.142 4.879 ( -3.104 -0.000 6.883) 7.550 5.096 ( 1.504 0.000 -19.698) 19.756 5.315 ( 13.042 0.000 10.414) 16.689 5.494 ( -9.141 -0.000 6.932) 11.472 5.537 ( 5.582 0.000 4.057) 6.900 6.007 ( 4.526 0.000 1.894) 4.907 6.118 ( -0.722 -0.000 4.737) 4.792 6.493 ( 3.961 0.000 -14.476) 15.009 6.498 ( 9.133 0.000 2.230) 9.401 6.835 ( 6.234 0.000 -2.328) 6.654 6.860 ( -11.509 -0.000 8.889) 14.542 7.110 ( -3.842 -0.000 -2.005) 4.334 7.294 ( -7.689 -0.000 -9.055) 11.879 7.326 ( 1.667 0.000 -3.527) 3.901 7.704 ( -3.210 -0.000 -4.687) 5.681 7.776 ( -1.475 -0.000 13.226) 13.308 8.015 ( 5.254 0.000 -1.576) 5.485 8.045 ( 3.515 0.000 -0.356) 3.533 8.176 ( -0.769 -0.000 5.088) 5.146 8.272 ( -1.440 -0.000 -0.297) 1.470 8.402 ( -4.779 -0.000 2.431) 5.361 10.043 ( -1.280 -0.000 -2.197) 2.543 10.999 ( 1.681 0.000 -0.483) 1.749 12.739 ( -0.696 -0.000 -1.230) 1.414 13.607 ( 3.158 0.000 8.379) 8.954 14.116 ( -4.323 -0.000 -1.898) 4.722 14.373 ( 5.891 0.000 -1.250) 6.022 14.385 ( -3.141 -0.000 -6.681) 7.383 ======================= Grid point 139 (62/160) ======================= q-point: (-0.33 0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 11.386 7.724 3.918) 14.306 2.693 ( -10.398 12.288 -8.969) 18.427 2.861 ( 7.043 6.043 -9.622) 13.368 3.202 ( 6.069 -0.222 3.674) 7.098 3.335 ( 1.400 -2.576 1.113) 3.136 3.459 ( -0.870 -19.038 -4.726) 19.635 3.750 ( -0.568 4.754 0.987) 4.888 4.058 ( 2.139 -3.146 2.304) 4.448 4.090 ( 3.867 2.698 8.955) 10.121 4.287 ( 0.069 -12.790 -4.254) 13.479 4.813 ( -4.551 1.719 -1.081) 4.984 4.895 ( -1.835 2.762 1.405) 3.601 4.952 ( -2.588 1.976 -12.006) 12.440 5.372 ( -9.703 2.834 13.361) 16.754 5.529 ( 8.887 6.437 10.061) 14.888 5.639 ( 3.289 1.757 9.054) 9.792 6.105 ( 2.107 -3.851 2.847) 5.232 6.143 ( -1.107 4.360 4.046) 6.050 6.427 ( -1.648 4.821 -9.992) 11.216 6.566 ( -11.805 2.529 -1.047) 12.118 6.638 ( 3.820 2.074 -9.233) 10.205 7.006 ( 8.612 3.710 8.227) 12.475 7.068 ( 4.233 -3.751 -3.245) 6.521 7.172 ( -7.620 -8.426 -5.874) 12.790 7.355 ( -0.499 -7.018 -4.157) 8.172 7.652 ( -0.146 -2.236 -7.108) 7.453 7.819 ( -2.146 -1.008 11.410) 11.653 8.074 ( 2.471 0.112 -0.730) 2.579 8.133 ( 5.288 -0.668 2.403) 5.847 8.177 ( -0.704 1.873 2.479) 3.186 8.250 ( -1.446 0.030 -0.592) 1.563 8.321 ( -6.333 -2.159 1.157) 6.791 10.019 ( -0.054 0.592 -1.441) 1.559 11.019 ( 1.395 0.514 -1.100) 1.849 12.723 ( -0.373 -0.169 -1.311) 1.374 13.705 ( 2.651 -0.402 9.363) 9.740 14.035 ( -3.601 1.159 -1.217) 3.974 14.275 ( -3.321 3.484 -7.435) 8.857 14.476 ( 7.408 0.322 -1.681) 7.603 ======================= Grid point 140 (63/160) ======================= q-point: (-0.22 0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 3.505 8.581 -2.840) 9.695 2.600 ( 15.709 5.477 -0.631) 16.648 2.900 ( 4.811 3.514 -11.028) 12.535 3.293 ( 1.233 -0.418 -4.430) 4.618 3.382 ( 1.871 -3.039 -0.740) 3.645 3.502 ( -12.175 2.450 -7.010) 14.261 3.571 ( 0.949 -8.226 -6.551) 10.559 4.121 ( 9.914 3.489 10.202) 14.647 4.286 ( -4.579 -17.659 -7.236) 19.626 4.479 ( 4.450 -8.722 7.595) 12.392 4.729 ( 0.200 -3.694 1.866) 4.143 4.799 ( -1.998 5.758 -6.177) 8.678 4.894 ( -2.274 1.879 4.124) 5.070 5.239 ( -11.466 6.974 13.340) 18.922 5.596 ( 1.513 8.625 10.522) 13.690 5.682 ( -1.730 7.661 5.571) 9.629 5.924 ( -7.018 12.465 -1.149) 14.350 6.134 ( -5.687 4.692 1.476) 7.519 6.259 ( -7.224 -0.658 6.124) 9.493 6.491 ( 3.381 -7.932 -3.894) 9.461 6.667 ( 4.498 1.349 -12.305) 13.170 7.098 ( 4.489 4.951 2.372) 7.091 7.123 ( -2.048 -7.296 -5.247) 9.217 7.249 ( 7.465 -5.097 -3.301) 9.623 7.403 ( 1.135 -7.616 1.072) 7.774 7.661 ( 2.459 -3.004 -6.258) 7.364 7.833 ( -4.641 -0.546 7.787) 9.082 8.075 ( -1.083 0.190 -0.532) 1.222 8.119 ( -2.211 0.292 -2.081) 3.050 8.208 ( -2.634 0.803 1.976) 3.389 8.245 ( -1.818 -6.064 -0.784) 6.379 8.310 ( 5.334 1.899 3.711) 6.770 10.014 ( 0.701 0.887 -0.229) 1.153 11.019 ( 0.322 0.839 -1.729) 1.949 12.717 ( 0.083 -0.392 -0.999) 1.076 13.793 ( 1.057 -1.444 8.198) 8.391 13.972 ( -2.226 1.553 0.498) 2.760 14.144 ( -2.700 4.945 -6.834) 8.857 14.580 ( 6.885 0.781 -1.928) 7.192 ======================= Grid point 141 (64/160) ======================= q-point: (-0.11 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 6.849 -3.233 3.439) 8.318 2.635 ( -9.864 1.535 -8.898) 13.373 2.918 ( 12.962 -1.236 -5.401) 14.097 3.150 ( -6.831 2.207 -1.460) 7.326 3.460 ( 6.445 2.641 -3.261) 7.691 3.477 ( 5.580 -5.098 -3.952) 8.529 3.613 ( 4.474 -4.889 -11.233) 13.043 4.177 ( -10.401 -9.131 -15.482) 20.767 4.329 ( 9.617 5.802 10.193) 15.167 4.556 ( -3.670 -3.074 -9.518) 10.655 4.733 ( 3.712 -1.405 -6.162) 7.330 4.825 ( -5.929 1.011 12.282) 13.676 4.888 ( -9.332 1.122 8.365) 12.582 5.041 ( -4.272 -1.265 12.891) 13.639 5.380 ( -10.493 13.995 -5.410) 18.309 5.603 ( -0.883 7.914 20.750) 22.226 5.885 ( -0.190 -1.916 1.748) 2.601 6.003 ( 1.632 9.494 0.046) 9.633 6.225 ( -7.867 -2.142 6.193) 10.239 6.611 ( 2.438 -3.991 -6.254) 7.810 6.681 ( 6.323 -3.808 -0.539) 7.400 7.067 ( -5.528 1.768 -4.873) 7.578 7.163 ( 6.507 -1.554 -3.015) 7.337 7.344 ( 6.925 0.603 -5.266) 8.721 7.537 ( 2.947 -4.230 -0.343) 5.167 7.707 ( -2.276 1.176 1.024) 2.759 7.766 ( 0.121 -3.329 -0.958) 3.466 8.033 ( -4.735 -0.967 0.626) 4.874 8.116 ( 1.484 -0.353 0.355) 1.566 8.177 ( -1.589 -0.907 2.775) 3.324 8.234 ( -4.052 -4.820 0.091) 6.298 8.404 ( 5.911 3.890 -0.227) 7.079 10.022 ( 0.962 0.546 0.809) 1.370 11.001 ( -0.427 0.281 -1.978) 2.043 12.723 ( 0.481 -0.576 -0.470) 0.885 13.824 ( -1.908 1.522 0.770) 2.559 13.946 ( -0.609 0.271 3.696) 3.755 14.055 ( -0.968 0.467 -1.417) 1.779 14.654 ( 4.364 1.184 -2.081) 4.978 ======================= Grid point 148 (65/160) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -4.663 -0.000 -11.382) 12.301 2.651 ( 12.141 0.000 -1.192) 12.199 2.991 ( 11.941 0.000 -19.731) 23.063 3.212 ( -2.204 -0.000 2.328) 3.206 3.345 ( 0.639 0.000 -3.837) 3.890 3.466 ( 2.830 0.000 3.588) 4.570 3.628 ( -7.093 -0.000 -2.845) 7.642 4.022 ( -3.824 -0.000 -10.350) 11.034 4.194 ( 8.987 0.000 7.493) 11.701 4.391 ( 5.611 0.000 8.772) 10.414 4.683 ( -0.996 -0.000 -0.858) 1.315 4.859 ( -3.442 -0.000 -7.217) 7.996 4.913 ( -4.060 -0.000 8.998) 9.872 5.293 ( -11.527 -0.000 14.757) 18.725 5.689 ( 2.795 0.000 1.721) 3.282 5.769 ( -0.328 -0.000 19.574) 19.577 6.123 ( -2.040 -0.000 10.243) 10.444 6.161 ( -4.463 -0.000 -4.847) 6.589 6.266 ( -18.651 -0.000 -8.938) 20.682 6.378 ( 1.692 0.000 -2.409) 2.944 6.682 ( 3.139 0.000 -11.879) 12.287 7.004 ( -1.520 -0.000 0.023) 1.520 7.120 ( 9.153 0.000 -5.123) 10.490 7.260 ( 10.122 0.000 10.215) 14.381 7.300 ( 1.078 0.000 -6.019) 6.115 7.623 ( 2.926 0.000 -7.508) 8.058 7.825 ( -3.665 -0.000 6.994) 7.896 8.076 ( -2.419 -0.000 0.756) 2.534 8.129 ( -3.232 -0.000 -3.788) 4.980 8.179 ( -0.853 -0.000 -0.125) 0.862 8.215 ( -3.208 -0.000 1.396) 3.499 8.337 ( 7.341 0.000 3.136) 7.983 10.023 ( 0.515 0.000 -0.108) 0.527 11.028 ( 0.357 0.000 -2.083) 2.113 12.714 ( 0.116 0.000 -1.164) 1.170 13.778 ( 0.414 0.000 9.101) 9.111 13.986 ( -2.691 -0.000 0.523) 2.742 14.193 ( -3.608 -0.000 -7.721) 8.522 14.588 ( 6.761 0.000 -1.291) 6.883 ======================= Grid point 149 (66/160) ======================= q-point: (-0.22 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 6.153 -1.620 -4.435) 7.756 2.727 ( -7.133 5.779 -9.862) 13.473 2.902 ( -4.666 -0.723 -15.261) 15.974 3.142 ( -9.652 -2.940 0.377) 10.097 3.412 ( 9.938 -2.342 -7.667) 12.768 3.418 ( 8.061 -1.708 -5.441) 9.875 3.709 ( 9.354 11.230 2.833) 14.887 3.958 ( -3.366 -12.634 -13.352) 18.687 4.395 ( -1.367 -6.545 -3.667) 7.625 4.408 ( 8.951 0.911 9.097) 12.795 4.719 ( -6.740 -0.222 -4.634) 8.183 4.848 ( -8.367 0.969 14.325) 16.618 4.873 ( 4.396 -1.194 18.838) 19.381 5.142 ( -9.495 6.114 5.598) 12.605 5.642 ( -6.300 8.680 -7.274) 12.959 5.762 ( -9.065 7.185 10.929) 15.914 5.890 ( -3.909 5.580 1.157) 6.911 6.079 ( -6.354 -6.338 -5.929) 10.756 6.156 ( -3.056 -2.087 7.972) 8.789 6.526 ( 8.804 -3.641 3.053) 10.004 6.602 ( -3.000 -2.458 -7.295) 8.262 7.078 ( 4.634 1.798 0.986) 5.068 7.181 ( 2.096 -0.079 -2.890) 3.571 7.364 ( 11.616 1.460 -4.738) 12.630 7.452 ( 5.544 -3.181 3.686) 7.378 7.684 ( 6.766 -2.714 -2.623) 7.748 7.734 ( -8.560 0.202 -2.661) 8.967 8.013 ( -6.235 -0.810 1.487) 6.461 8.112 ( 2.499 -0.119 0.366) 2.528 8.160 ( -2.870 -1.083 1.278) 3.323 8.168 ( -2.929 -1.444 -0.610) 3.322 8.473 ( 8.497 2.340 0.277) 8.817 10.031 ( 0.383 0.316 0.892) 1.021 11.010 ( -0.668 0.397 -2.722) 2.831 12.715 ( 0.589 -0.208 -0.781) 1.000 13.815 ( -1.680 -0.969 6.496) 6.779 13.957 ( -1.751 0.367 2.667) 3.211 14.082 ( -4.442 1.305 -5.963) 7.549 14.672 ( 4.640 0.608 -1.471) 4.905 ======================= Grid point 150 (67/160) ======================= q-point: (-0.11 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -28.068 3.678 -11.725) 30.640 2.641 ( -11.726 -9.467 -4.387) 15.696 2.801 ( 2.157 -9.116 -2.919) 9.811 3.113 ( 0.679 -0.655 2.664) 2.826 3.570 ( 8.244 0.460 -14.218) 16.442 3.618 ( 9.700 -7.036 2.125) 12.171 3.708 ( 0.706 0.817 -2.735) 2.940 3.925 ( 5.861 5.865 -8.800) 12.091 4.380 ( -1.768 -3.525 -6.283) 7.418 4.614 ( 6.559 0.892 12.766) 14.380 4.659 ( -4.980 -1.155 0.984) 5.206 4.724 ( -10.885 -2.298 9.953) 14.928 4.850 ( -0.728 13.718 -6.547) 15.218 5.129 ( 3.093 0.528 10.592) 11.048 5.301 ( -9.126 9.157 -4.728) 13.766 5.727 ( -0.354 -4.165 2.945) 5.113 5.852 ( -2.585 2.228 4.178) 5.394 6.044 ( -3.731 -6.659 -3.172) 8.266 6.089 ( -8.277 3.941 4.183) 10.077 6.540 ( 0.485 -4.419 -1.656) 4.744 6.801 ( 9.422 -2.451 7.313) 12.176 7.027 ( -0.416 5.911 0.085) 5.927 7.285 ( 7.527 -0.933 -0.404) 7.595 7.489 ( 7.352 3.566 -2.099) 8.436 7.521 ( -1.442 1.881 -6.929) 7.323 7.583 ( -2.300 -2.544 -3.329) 4.780 7.815 ( 1.285 -1.188 2.765) 3.272 7.930 ( -3.619 -3.497 -0.607) 5.069 8.120 ( -4.169 -1.281 2.244) 4.905 8.126 ( -0.662 -2.402 -0.582) 2.559 8.223 ( 5.192 -1.577 4.266) 6.902 8.550 ( 6.613 5.953 -3.690) 9.633 10.039 ( -0.044 -0.065 1.298) 1.300 10.977 ( -1.043 0.037 -2.646) 2.844 12.727 ( 0.850 -0.385 -0.340) 0.993 13.789 ( -3.906 1.412 -1.564) 4.438 13.946 ( -2.039 -0.904 4.454) 4.981 14.001 ( -3.309 -2.991 0.986) 4.569 14.706 ( 1.786 1.629 -1.917) 3.085 ======================= Grid point 158 (68/160) ======================= q-point: (-0.22 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -26.877 -0.000 -14.530) 30.553 2.434 ( -28.182 -0.000 -13.088) 31.072 2.711 ( 13.017 0.000 0.132) 13.018 3.109 ( 1.922 0.000 2.081) 2.833 3.503 ( -9.185 -0.000 -1.979) 9.396 3.626 ( 20.475 0.000 -11.650) 23.557 3.671 ( 0.428 0.000 -5.157) 5.174 4.118 ( 17.231 0.000 8.724) 19.313 4.246 ( -0.977 -0.000 -9.414) 9.465 4.590 ( -2.508 -0.000 -5.401) 5.955 4.633 ( 8.551 0.000 10.711) 13.705 4.706 ( -16.419 -0.000 17.211) 23.786 5.028 ( 1.786 0.000 7.711) 7.915 5.167 ( 3.253 0.000 7.236) 7.933 5.446 ( -15.040 -0.000 -17.717) 23.239 5.635 ( -5.146 -0.000 -7.310) 8.940 5.847 ( -7.240 -0.000 -2.210) 7.570 5.943 ( -4.302 -0.000 5.729) 7.164 6.157 ( -2.792 -0.000 6.624) 7.189 6.502 ( -0.938 -0.000 1.272) 1.580 6.765 ( 13.766 0.000 10.391) 17.247 7.120 ( -2.415 -0.000 -3.973) 4.649 7.239 ( 4.911 0.000 4.318) 6.540 7.532 ( 6.966 0.000 -2.761) 7.493 7.539 ( 1.028 0.000 -7.082) 7.156 7.579 ( 1.560 0.000 -3.171) 3.534 7.786 ( 6.057 0.000 2.230) 6.454 7.897 ( -7.542 -0.000 1.443) 7.679 8.093 ( -3.349 -0.000 -3.980) 5.202 8.112 ( -3.831 -0.000 4.303) 5.761 8.206 ( 6.924 0.000 3.851) 7.923 8.609 ( 7.523 0.000 -3.928) 8.487 10.038 ( -0.428 -0.000 1.222) 1.295 10.979 ( -1.217 -0.000 -3.114) 3.343 12.723 ( 0.922 0.000 -0.497) 1.047 13.792 ( -3.668 -0.000 2.454) 4.413 13.951 ( -1.558 -0.000 4.353) 4.623 13.968 ( -6.560 -0.000 -2.821) 7.141 14.723 ( 2.283 0.000 -1.907) 2.974 ======================= Grid point 159 (69/160) ======================= q-point: (-0.11 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -34.000 6.841 -10.096) 36.121 1.990 ( -33.371 -20.178 -11.057) 40.534 2.989 ( -4.186 -1.743 6.292) 7.756 3.034 ( -22.812 -7.721 6.767) 25.016 3.157 ( 1.773 1.141 3.069) 3.723 3.843 ( 14.097 3.863 0.993) 14.651 3.923 ( 17.164 -1.388 -0.184) 17.221 4.184 ( 9.500 11.767 -11.184) 18.810 4.372 ( -2.300 -0.097 3.172) 3.919 4.572 ( -0.299 -0.445 -2.619) 2.673 4.646 ( 8.551 -6.025 0.529) 10.474 4.797 ( 5.582 0.361 6.035) 8.229 4.972 ( 2.571 15.381 -9.435) 18.226 5.112 ( -7.736 4.371 -11.739) 14.722 5.281 ( 0.838 -1.698 11.113) 11.273 5.578 ( -2.237 -10.365 -11.253) 15.462 5.772 ( -5.172 -4.996 -0.834) 7.239 5.836 ( -10.085 -3.350 -0.538) 10.640 6.109 ( -4.112 2.972 8.045) 9.511 6.591 ( 5.359 0.840 10.516) 11.833 6.913 ( -1.266 1.683 -2.613) 3.356 7.146 ( 7.651 3.945 7.490) 11.410 7.305 ( -0.925 -6.057 3.487) 7.050 7.388 ( -3.282 -1.439 -14.018) 14.469 7.619 ( 3.825 7.139 0.278) 8.104 7.678 ( 5.940 0.879 0.258) 6.010 7.739 ( -7.849 0.240 3.705) 8.683 7.923 ( 3.645 -1.561 0.396) 3.985 8.014 ( -4.769 -1.615 -3.058) 5.891 8.113 ( -0.330 -2.712 4.662) 5.404 8.377 ( 10.143 0.245 7.199) 12.440 8.666 ( 5.673 3.394 -7.874) 10.281 10.032 ( -1.102 -0.370 0.905) 1.474 10.944 ( -1.106 -0.164 -2.474) 2.715 12.738 ( 0.948 -0.173 -0.238) 0.993 13.705 ( -5.828 1.028 -4.417) 7.385 13.877 ( -5.575 -3.234 3.574) 7.370 13.956 ( -1.822 -1.543 4.643) 5.221 14.722 ( 0.010 1.546 -3.629) 3.945 ======================= Grid point 168 (70/160) ======================= q-point: (-0.11 -0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -35.890 -0.000 -4.127) 36.127 1.204 ( -35.167 -0.000 -1.530) 35.200 2.222 ( -55.400 -0.000 23.103) 60.024 3.235 ( 4.689 0.000 -0.022) 4.689 3.326 ( 14.261 0.000 11.521) 18.333 4.085 ( 10.040 0.000 4.238) 10.898 4.130 ( 0.172 0.000 6.631) 6.633 4.249 ( -2.135 -0.000 1.348) 2.525 4.283 ( 3.070 0.000 -11.747) 12.142 4.684 ( 14.635 0.000 -18.510) 23.597 4.720 ( -0.342 -0.000 -3.708) 3.724 4.895 ( 5.175 0.000 -4.358) 6.766 4.965 ( 4.483 0.000 -12.606) 13.379 5.152 ( 7.130 0.000 -4.296) 8.324 5.343 ( 1.969 0.000 6.472) 6.764 5.449 ( 5.497 0.000 -10.614) 11.953 5.663 ( -9.133 -0.000 5.448) 10.635 5.701 ( -1.837 -0.000 1.787) 2.563 6.042 ( -8.364 -0.000 7.617) 11.312 6.789 ( 6.419 0.000 15.112) 16.419 6.803 ( -4.931 -0.000 -11.528) 12.539 7.160 ( -8.862 -0.000 -2.132) 9.114 7.247 ( -2.769 -0.000 -13.077) 13.367 7.424 ( 7.096 0.000 10.994) 13.085 7.579 ( -7.113 -0.000 -0.792) 7.157 7.700 ( -0.569 -0.000 12.373) 12.386 7.826 ( 7.260 0.000 1.204) 7.360 7.887 ( -5.694 -0.000 -0.446) 5.711 7.998 ( 3.591 0.000 -2.424) 4.332 8.124 ( -0.113 -0.000 4.421) 4.422 8.548 ( 2.832 0.000 -3.831) 4.764 8.778 ( 13.264 0.000 5.293) 14.281 10.011 ( -1.498 -0.000 0.282) 1.524 10.920 ( -0.276 -0.000 -0.540) 0.607 12.750 ( 0.762 0.000 -0.147) 0.776 13.587 ( -5.587 -0.000 -4.628) 7.255 13.787 ( -5.295 -0.000 3.670) 6.443 13.938 ( -2.353 -0.000 3.794) 4.465 14.680 ( -2.852 -0.000 -10.473) 10.854 ======================= Grid point 169 (71/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 12.774 0.000 38.743) 40.795 1.690 ( -7.443 -0.000 38.339) 39.055 2.513 ( 4.586 0.000 57.876) 58.058 3.023 ( -0.166 -0.000 -1.665) 1.673 3.395 ( -11.925 -0.000 -1.396) 12.007 3.733 ( -12.435 -0.000 -22.291) 25.525 4.104 ( -0.196 -0.000 -6.547) 6.550 4.175 ( -0.519 -0.000 -12.048) 12.059 4.218 ( -5.293 -0.000 -0.149) 5.295 4.333 ( -9.576 -0.000 -4.971) 10.789 4.433 ( 3.879 0.000 -11.948) 12.562 4.758 ( 13.742 0.000 0.558) 13.753 5.291 ( 26.086 0.000 0.355) 26.088 5.347 ( 3.401 0.000 0.466) 3.433 5.491 ( 0.135 0.000 -4.922) 4.924 5.627 ( 4.397 0.000 6.218) 7.616 5.830 ( 1.089 0.000 -3.936) 4.084 5.937 ( 0.122 0.000 -29.722) 29.722 5.998 ( 1.709 0.000 13.065) 13.176 6.266 ( 2.214 0.000 5.574) 5.997 6.613 ( -4.707 -0.000 -2.033) 5.127 6.899 ( -13.812 -0.000 0.526) 13.822 7.133 ( 1.351 0.000 1.044) 1.707 7.270 ( -6.066 -0.000 -0.422) 6.081 7.596 ( 5.014 0.000 -2.351) 5.538 7.788 ( -5.081 -0.000 5.670) 7.614 7.929 ( -4.169 -0.000 -5.516) 6.914 7.941 ( -1.828 -0.000 1.067) 2.117 8.056 ( 6.192 0.000 -2.591) 6.712 8.237 ( 0.195 0.000 -0.124) 0.231 8.756 ( 1.667 0.000 18.127) 18.203 9.555 ( 2.120 0.000 -5.013) 5.443 9.972 ( -1.593 -0.000 -0.354) 1.632 11.178 ( 2.069 0.000 0.662) 2.172 12.760 ( 0.061 0.000 -0.118) 0.133 13.516 ( 4.875 0.000 0.411) 4.892 13.652 ( -4.293 -0.000 -0.835) 4.374 13.854 ( -3.081 -0.000 -0.744) 3.169 13.948 ( 0.009 0.000 0.442) 0.442 ======================= Grid point 170 (72/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.290 -1.343 33.266) 33.456 2.108 ( 17.599 3.270 36.874) 40.989 3.044 ( 6.010 -4.616 10.896) 13.272 3.121 ( 16.132 -7.355 31.046) 35.752 3.224 ( -7.928 -0.980 4.073) 8.967 3.418 ( -8.116 -0.961 -20.297) 21.881 4.001 ( -10.369 5.194 -7.377) 13.744 4.017 ( -3.889 3.494 -1.194) 5.362 4.112 ( -5.697 -5.832 -13.748) 15.983 4.242 ( -1.587 -3.289 -7.090) 7.975 4.421 ( 0.559 -4.285 -7.447) 8.610 5.004 ( 12.016 -2.236 -0.384) 12.228 5.367 ( -0.471 8.636 0.287) 8.654 5.407 ( 3.479 6.299 -3.341) 7.934 5.582 ( -3.257 8.676 -1.631) 9.410 5.675 ( -6.284 1.385 -10.755) 12.533 5.713 ( 15.602 -1.539 -16.194) 22.540 5.942 ( 11.259 -4.355 -7.686) 14.311 6.127 ( 2.306 -7.309 8.135) 11.177 6.350 ( 4.094 0.704 5.988) 7.288 6.594 ( -10.090 -1.321 14.292) 17.544 6.702 ( -0.558 4.368 -7.844) 8.995 7.112 ( -3.959 -6.367 -2.436) 7.883 7.310 ( 5.818 -2.877 3.996) 7.622 7.604 ( -0.875 1.894 -3.088) 3.727 7.711 ( -5.920 -0.571 -0.500) 5.969 7.858 ( -3.230 -2.071 -1.913) 4.287 7.989 ( 3.708 -2.494 2.177) 4.971 8.120 ( 2.773 -0.172 -1.712) 3.264 8.229 ( -0.384 0.865 0.737) 1.200 8.752 ( -8.368 5.803 13.169) 16.647 9.393 ( -12.717 7.881 -2.301) 15.137 9.945 ( -1.015 0.018 0.323) 1.065 11.132 ( -3.577 3.691 1.506) 5.356 12.757 ( -0.184 0.314 -0.142) 0.391 13.582 ( -1.817 -6.990 -3.826) 8.173 13.683 ( 7.426 -1.135 2.649) 7.966 13.853 ( 0.701 -2.030 0.515) 2.209 14.077 ( 13.214 -1.711 -3.202) 13.704 ======================= Grid point 171 (73/160) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 12.740 -4.060 22.620) 26.276 2.532 ( 19.782 10.910 32.932) 39.936 3.024 ( -3.904 6.383 -2.042) 7.756 3.105 ( -4.286 1.273 -18.897) 19.419 3.198 ( 0.815 -4.025 1.611) 4.412 3.744 ( -9.781 3.313 -7.771) 12.924 3.839 ( 5.627 -9.529 16.389) 19.776 3.963 ( -7.857 -6.944 -20.436) 22.969 4.043 ( 12.427 -11.256 16.536) 23.549 4.221 ( -2.725 -4.688 -4.224) 6.874 4.479 ( 4.696 -6.492 -2.021) 8.263 5.047 ( -9.878 5.695 -12.656) 17.035 5.194 ( 1.123 8.739 -1.445) 8.928 5.312 ( -8.625 0.537 -0.609) 8.663 5.446 ( 3.341 9.388 0.542) 9.979 5.580 ( 2.049 -0.275 -14.220) 14.369 5.908 ( 14.040 3.815 -5.609) 15.593 6.058 ( 0.120 0.943 0.662) 1.159 6.299 ( 7.727 -3.279 -0.496) 8.409 6.430 ( 3.961 -1.639 3.379) 5.458 6.501 ( -10.455 -3.831 13.503) 17.502 6.694 ( 5.223 1.983 -1.359) 5.750 7.149 ( 0.673 -8.517 -3.112) 9.093 7.455 ( 4.684 -0.658 5.616) 7.342 7.506 ( -7.106 -0.067 -6.498) 9.629 7.634 ( -2.287 1.800 -3.063) 4.225 7.854 ( -1.624 -6.953 3.917) 8.144 8.076 ( 2.922 -0.976 0.609) 3.140 8.127 ( -0.671 0.672 -0.920) 1.322 8.231 ( 0.602 0.603 1.669) 1.874 8.559 ( -11.421 8.088 5.461) 15.022 9.040 ( -17.578 10.670 -0.153) 20.563 9.950 ( 1.009 -0.465 0.898) 1.429 11.057 ( -2.160 3.016 0.560) 3.752 12.748 ( -0.179 0.674 -0.126) 0.709 13.594 ( -2.180 -8.343 -4.638) 9.791 13.864 ( 9.866 -1.049 3.837) 10.638 13.914 ( 2.863 -2.420 2.781) 4.667 14.291 ( 12.746 -1.604 -5.325) 13.906 ======================= Grid point 172 (74/160) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 15.860 -2.418 11.070) 19.492 2.838 ( 6.194 10.190 12.351) 17.168 2.922 ( 7.611 11.109 6.223) 14.834 2.986 ( -0.182 -1.956 -10.104) 10.293 3.242 ( -0.591 -2.257 0.374) 2.363 3.539 ( -5.404 2.198 -8.660) 10.442 3.751 ( -8.873 -0.061 -15.232) 17.628 3.912 ( -0.452 -4.440 -7.320) 8.573 4.215 ( -1.906 -10.028 0.994) 10.256 4.345 ( -1.045 -7.798 -6.883) 10.454 4.692 ( -3.609 6.547 -2.767) 7.971 4.787 ( 4.247 0.132 2.245) 4.805 5.156 ( -1.683 -10.486 13.832) 17.438 5.263 ( 0.115 -0.764 0.533) 0.939 5.429 ( -1.022 4.760 7.895) 9.275 5.563 ( 5.884 1.404 -10.801) 12.379 5.984 ( -5.821 1.291 -0.598) 5.993 6.024 ( 2.732 1.938 5.851) 6.742 6.374 ( 3.066 3.872 -9.830) 11.001 6.412 ( -0.168 -0.475 4.758) 4.785 6.611 ( 6.049 -1.807 8.925) 10.933 6.828 ( 7.318 -5.770 1.367) 9.419 7.214 ( 1.343 -3.374 -4.211) 5.560 7.299 ( -10.101 1.510 -7.999) 12.973 7.513 ( -6.533 0.619 -5.723) 8.707 7.604 ( 8.075 -0.997 5.929) 10.067 7.921 ( -4.060 -2.738 3.968) 6.303 8.098 ( 1.614 1.338 -0.169) 2.103 8.111 ( -0.392 -1.021 0.423) 1.173 8.233 ( -1.335 1.171 3.272) 3.723 8.364 ( -4.720 3.719 -3.016) 6.724 8.658 ( -16.315 9.672 0.379) 18.971 9.991 ( 2.362 -0.600 1.606) 2.918 11.009 ( -0.823 2.011 -1.079) 2.426 12.740 ( 0.125 0.885 -0.030) 0.894 13.619 ( -1.454 -7.907 -4.471) 9.200 14.001 ( 3.026 -1.174 6.174) 6.975 14.041 ( 7.931 0.089 2.900) 8.445 14.453 ( 8.844 -1.442 -5.029) 10.275 ======================= Grid point 173 (75/160) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -4.087 12.323 1.332) 13.051 2.842 ( 3.125 3.451 2.020) 5.075 2.961 ( 3.136 12.050 -1.256) 12.514 3.061 ( 11.378 -6.166 -2.713) 13.223 3.257 ( 1.336 -3.458 -2.548) 4.499 3.435 ( -2.402 0.819 -11.331) 11.612 3.638 ( 6.237 3.361 -0.013) 7.084 3.873 ( -2.154 -6.240 -14.014) 15.491 4.084 ( -11.009 8.651 -13.850) 19.694 4.454 ( 4.543 -14.114 6.668) 16.257 4.579 ( -0.441 -2.897 -1.758) 3.417 4.839 ( 0.308 -0.787 1.002) 1.311 5.168 ( -8.243 0.964 2.211) 8.589 5.275 ( -8.980 4.499 8.594) 13.219 5.405 ( -5.549 -3.516 5.989) 8.890 5.779 ( 10.407 -8.572 7.729) 15.541 5.890 ( -1.956 -0.671 0.469) 2.121 6.046 ( -3.926 -0.070 18.563) 18.974 6.304 ( -1.783 2.918 -2.308) 4.125 6.514 ( 9.410 1.089 -7.372) 12.003 6.723 ( 1.806 -2.302 1.095) 3.124 6.929 ( -1.311 1.071 -0.941) 1.937 7.172 ( 4.784 -0.170 -2.093) 5.225 7.214 ( 1.831 0.914 -6.007) 6.346 7.399 ( -3.165 -3.113 -7.585) 8.788 7.751 ( -4.389 1.726 0.873) 4.796 7.832 ( 4.468 2.122 1.154) 5.079 8.067 ( -4.355 0.567 0.776) 4.460 8.142 ( 0.191 -0.106 0.148) 0.263 8.234 ( 0.941 1.247 2.328) 2.804 8.272 ( -3.116 -1.369 -5.652) 6.597 8.407 ( -6.147 3.393 4.082) 8.121 10.044 ( 2.132 -0.182 1.899) 2.861 10.975 ( -0.345 1.531 -1.926) 2.484 12.736 ( 0.491 0.927 0.053) 1.050 13.639 ( -1.896 -6.422 -4.226) 7.918 14.081 ( 1.715 0.498 7.446) 7.657 14.142 ( 3.918 2.707 2.743) 5.496 14.552 ( 4.779 -1.715 -4.848) 7.020 ======================= Grid point 174 (76/160) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -12.075 20.737 7.039) 25.008 2.750 ( -9.241 7.814 -3.716) 12.660 2.912 ( 7.166 5.415 -2.752) 9.394 3.250 ( -8.858 8.967 -3.493) 13.079 3.317 ( 14.440 -1.854 -4.438) 15.220 3.438 ( 9.495 -15.220 -6.768) 19.173 3.638 ( -3.532 -4.011 -12.545) 13.636 3.832 ( 11.798 4.630 -3.513) 13.151 4.060 ( 10.396 -6.716 -5.767) 13.654 4.517 ( -11.985 2.545 0.907) 12.286 4.612 ( -2.492 -5.466 -1.073) 6.102 4.870 ( 0.860 -2.036 3.583) 4.210 4.983 ( -13.334 -2.559 15.334) 20.481 5.136 ( -6.043 4.575 1.288) 7.688 5.370 ( -7.889 -7.495 0.420) 10.890 5.736 ( -5.735 3.744 2.748) 7.379 5.998 ( -5.298 -0.769 1.684) 5.612 6.154 ( 2.819 -1.823 14.757) 15.134 6.222 ( -1.953 8.389 4.513) 9.724 6.536 ( 4.647 2.034 -7.052) 8.687 6.748 ( -0.855 -5.906 -2.201) 6.361 7.025 ( 9.124 -3.248 3.390) 10.261 7.207 ( 4.521 -2.700 -6.108) 8.064 7.280 ( 0.777 -2.615 -8.123) 8.569 7.429 ( 9.407 -0.693 -0.245) 9.436 7.582 ( -4.636 4.997 -3.244) 7.549 7.873 ( -3.673 -0.373 2.427) 4.418 7.991 ( -3.600 2.683 -0.921) 4.583 8.119 ( 0.111 1.391 -2.711) 3.050 8.228 ( -0.909 -0.107 3.038) 3.173 8.318 ( 5.632 -4.305 -1.458) 7.237 8.385 ( 0.748 -0.506 4.081) 4.180 10.074 ( 0.540 0.689 1.370) 1.626 10.948 ( -0.126 1.381 -1.726) 2.214 12.738 ( 0.702 0.809 0.024) 1.072 13.626 ( -3.149 -4.107 -3.995) 6.538 14.118 ( -0.833 2.333 7.299) 7.708 14.147 ( -0.048 4.997 2.602) 5.634 14.590 ( 1.150 -1.803 -5.724) 6.110 ======================= Grid point 175 (77/160) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -12.034 24.914 16.638) 32.285 2.308 ( -21.862 24.544 -1.217) 32.892 2.988 ( -2.050 -2.288 -4.793) 5.693 3.176 ( 10.262 -3.261 4.531) 11.682 3.468 ( -11.389 1.029 12.200) 16.722 3.611 ( 13.918 -11.227 -15.447) 23.630 3.720 ( 10.830 -3.028 -5.155) 12.370 4.002 ( 9.329 -3.000 -10.717) 14.522 4.222 ( -9.230 2.050 6.238) 11.327 4.315 ( 13.503 -10.920 -6.450) 18.525 4.649 ( 1.646 -5.068 -5.794) 7.872 4.766 ( -14.317 0.297 6.101) 15.566 4.965 ( -4.679 3.369 2.866) 6.439 4.999 ( -4.480 2.620 -1.314) 5.354 5.306 ( -4.038 -3.313 -1.170) 5.352 5.642 ( -3.902 4.244 4.121) 7.086 5.879 ( -6.097 1.999 1.974) 6.713 6.002 ( -7.636 7.180 2.358) 10.744 6.352 ( 4.320 4.353 13.591) 14.910 6.621 ( 0.270 -3.491 -0.889) 3.612 6.729 ( 1.053 -2.282 -10.025) 10.335 7.076 ( -1.010 -0.969 -5.055) 5.245 7.256 ( -1.857 -0.941 -2.804) 3.493 7.413 ( 11.051 -7.000 -1.799) 13.204 7.498 ( 2.533 -1.410 -3.389) 4.460 7.642 ( 9.005 -1.455 5.895) 10.860 7.794 ( -5.975 0.054 1.844) 6.253 7.952 ( 1.532 0.391 0.757) 1.753 8.060 ( -3.870 2.867 1.543) 5.057 8.217 ( -2.985 -1.386 2.600) 4.194 8.398 ( 1.932 -2.084 -5.415) 6.116 8.552 ( 13.887 -2.853 5.802) 15.319 10.062 ( -1.236 1.342 0.362) 1.861 10.932 ( 0.559 1.138 -0.423) 1.336 12.743 ( 0.725 0.535 -0.081) 0.905 13.574 ( -3.909 -1.551 -3.430) 5.427 14.056 ( -4.027 6.317 2.608) 7.932 14.113 ( -2.506 3.386 5.555) 6.972 14.557 ( -2.606 -0.997 -8.336) 8.791 ======================= Grid point 176 (78/160) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -16.931 22.819 17.317) 33.275 1.737 ( -10.163 28.640 23.545) 38.444 2.822 ( -24.175 3.448 13.916) 28.106 3.180 ( -14.026 -0.452 10.822) 17.722 3.495 ( 7.695 -5.855 7.851) 12.456 3.831 ( 4.878 -14.510 -6.557) 16.653 4.007 ( 21.290 -6.015 -6.490) 23.056 4.095 ( 9.941 -5.725 -20.721) 23.684 4.236 ( 2.355 1.295 2.114) 3.420 4.482 ( -11.696 5.742 -2.239) 13.221 4.524 ( 6.820 -3.392 -16.007) 17.727 4.752 ( -4.894 -8.417 -1.387) 9.835 4.813 ( -0.225 11.776 -7.101) 13.753 4.967 ( 4.998 -7.822 4.844) 10.471 5.324 ( 4.526 1.156 1.025) 4.782 5.575 ( -0.896 3.642 2.977) 4.789 5.801 ( -6.685 -0.166 7.292) 9.894 5.903 ( -2.454 2.666 8.405) 9.153 6.346 ( -2.689 12.269 6.735) 14.252 6.424 ( -6.906 1.417 -22.370) 23.455 6.853 ( 1.049 -8.137 0.121) 8.205 7.056 ( -1.799 -1.278 -1.433) 2.631 7.190 ( -0.405 3.281 -2.341) 4.051 7.478 ( -3.566 -1.059 -5.574) 6.701 7.563 ( -1.534 -2.574 2.862) 4.143 7.799 ( 6.755 -1.022 -2.198) 7.177 7.832 ( 1.720 -5.958 6.106) 8.703 7.970 ( -2.058 -1.555 1.661) 3.068 8.053 ( 6.376 2.008 8.431) 10.759 8.197 ( -3.063 -1.596 3.827) 5.155 8.389 ( 1.429 1.255 -4.957) 5.310 8.909 ( 19.454 -6.824 7.415) 21.909 10.022 ( -1.923 0.974 -0.229) 2.168 10.951 ( 2.572 0.165 2.097) 3.323 12.750 ( 0.605 0.185 -0.146) 0.649 13.506 ( -2.713 0.376 -2.231) 3.533 13.926 ( -5.131 6.963 1.218) 8.734 14.049 ( -4.577 3.042 3.826) 6.696 14.414 ( -8.851 1.324 -12.259) 15.179 ======================= Grid point 177 (79/160) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -7.043 7.777 31.663) 33.356 1.654 ( -1.197 18.547 39.418) 43.580 2.452 ( -25.275 7.576 44.241) 51.512 3.085 ( -5.624 -2.642 -2.730) 6.786 3.564 ( -7.342 -4.185 -1.754) 8.631 3.971 ( -3.897 -8.486 -8.085) 12.351 4.098 ( -0.065 -1.291 -11.820) 11.891 4.210 ( 5.335 0.695 -10.714) 11.988 4.262 ( 2.365 3.539 -1.998) 4.702 4.369 ( 4.918 -1.890 -6.218) 8.150 4.522 ( -6.996 -2.634 -8.015) 10.960 4.674 ( 2.561 7.205 -6.241) 9.870 4.840 ( 20.466 -4.851 -2.956) 21.240 5.239 ( 8.220 -6.312 2.338) 10.624 5.420 ( 9.332 3.960 0.545) 10.153 5.613 ( -2.115 -7.479 3.410) 8.488 5.735 ( 0.702 3.229 4.777) 5.809 5.926 ( 0.153 1.476 11.677) 11.770 6.128 ( -3.938 6.090 -17.808) 19.228 6.282 ( -1.980 4.182 -3.692) 5.919 6.784 ( -9.743 -1.873 -9.279) 13.584 7.054 ( -3.535 -1.928 4.909) 6.350 7.124 ( -3.659 2.823 -0.541) 4.653 7.407 ( -7.468 -1.998 0.150) 7.732 7.526 ( 3.422 3.984 -1.445) 5.447 7.832 ( -4.947 -1.728 4.892) 7.169 7.933 ( 5.630 -3.513 -5.258) 8.466 7.968 ( -0.867 -1.933 1.477) 2.582 8.083 ( -5.088 3.616 -3.353) 7.086 8.216 ( 3.209 1.575 0.673) 3.637 8.526 ( 9.433 -4.084 17.343) 20.161 9.341 ( 18.520 -8.187 2.282) 20.377 9.990 ( -1.253 -0.205 -0.196) 1.284 11.053 ( 6.684 -2.402 3.937) 8.121 12.757 ( 0.366 -0.052 -0.134) 0.393 13.473 ( 0.858 0.977 -0.642) 1.450 13.781 ( -4.849 6.971 -0.371) 8.500 13.956 ( -5.330 2.061 1.137) 5.827 14.116 ( -15.344 3.032 -9.085) 18.088 ======================= Grid point 179 (80/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 12.944 0.000 24.447) 27.663 2.671 ( 22.863 0.000 29.097) 37.004 3.110 ( 1.823 0.000 0.704) 1.955 3.133 ( -4.559 -0.000 3.611) 5.816 3.148 ( -5.249 -0.000 -20.653) 21.310 3.632 ( 18.801 0.000 32.427) 37.483 3.805 ( -8.923 -0.000 -29.597) 30.913 3.851 ( -10.597 -0.000 -0.195) 10.599 3.988 ( 0.063 0.000 2.540) 2.541 4.188 ( -0.752 -0.000 -3.715) 3.790 4.409 ( 5.240 0.000 0.080) 5.241 5.081 ( -2.374 -0.000 -7.421) 7.791 5.315 ( -9.955 -0.000 -0.195) 9.957 5.398 ( -7.197 -0.000 -2.545) 7.633 5.446 ( -5.924 -0.000 -13.203) 14.471 5.582 ( 10.885 0.000 -22.651) 25.131 5.998 ( 9.347 0.000 3.862) 10.114 6.072 ( 9.490 0.000 -0.317) 9.495 6.211 ( 9.785 0.000 9.131) 13.384 6.413 ( -0.019 -0.000 4.520) 4.520 6.439 ( -12.184 -0.000 12.918) 17.757 6.783 ( 5.314 0.000 -4.513) 6.972 7.025 ( 0.766 0.000 -4.594) 4.657 7.443 ( 8.616 0.000 5.721) 10.342 7.500 ( -8.651 -0.000 -6.302) 10.703 7.699 ( 2.718 0.000 3.309) 4.282 7.740 ( -7.918 -0.000 -1.718) 8.103 8.057 ( 3.250 0.000 1.792) 3.712 8.141 ( 0.950 0.000 -1.142) 1.486 8.237 ( 0.015 0.000 1.644) 1.644 8.639 ( -13.955 -0.000 6.247) 15.290 9.146 ( -19.276 -0.000 -1.499) 19.334 9.946 ( 0.981 0.000 0.954) 1.368 11.091 ( -3.306 -0.000 0.459) 3.338 12.755 ( -0.156 -0.000 -0.111) 0.191 13.508 ( -0.751 -0.000 -3.461) 3.541 13.854 ( 11.046 0.000 2.372) 11.298 13.889 ( 3.375 0.000 3.325) 4.738 14.276 ( 13.617 0.000 -5.711) 14.767 ======================= Grid point 180 (81/160) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 18.802 -0.914 14.089) 23.513 2.915 ( 0.264 -0.646 -23.220) 23.230 3.040 ( 1.391 8.520 6.707) 10.932 3.140 ( 4.276 1.794 11.425) 12.330 3.228 ( 10.144 4.198 14.963) 18.558 3.498 ( -8.290 -4.207 -31.627) 32.965 3.719 ( -3.850 1.471 -3.348) 5.310 3.846 ( -2.741 -6.512 8.156) 10.791 4.132 ( -1.735 0.520 -4.227) 4.599 4.179 ( 5.133 -6.794 -0.269) 8.519 4.685 ( 18.006 -3.425 21.273) 28.080 4.873 ( -7.977 4.896 -14.094) 16.919 5.080 ( -12.967 1.697 0.291) 13.081 5.251 ( -5.144 0.715 0.577) 5.225 5.353 ( -10.116 -7.883 -4.708) 13.662 5.657 ( 11.527 3.263 -15.704) 19.752 6.021 ( -5.279 1.649 2.478) 6.061 6.150 ( 4.974 9.393 6.320) 12.366 6.394 ( -0.825 -1.748 7.482) 7.728 6.407 ( -2.395 -0.466 1.191) 2.715 6.538 ( 14.458 -5.386 8.816) 17.770 6.802 ( 5.193 3.154 -4.425) 7.517 7.094 ( 5.143 -6.761 -5.749) 10.257 7.305 ( -10.748 -0.229 -6.587) 12.608 7.542 ( -10.127 1.220 -3.169) 10.682 7.614 ( 6.615 2.572 8.185) 10.834 7.821 ( 2.828 -5.760 4.582) 7.884 8.089 ( -0.269 -0.576 0.971) 1.161 8.144 ( 1.286 1.817 -1.575) 2.727 8.246 ( -0.568 0.112 3.176) 3.228 8.422 ( -10.975 1.910 -2.108) 11.337 8.792 ( -19.684 3.927 -1.782) 20.151 9.986 ( 2.778 -0.091 1.589) 3.202 11.044 ( -1.491 1.238 -1.129) 2.243 12.752 ( 0.123 0.374 -0.082) 0.402 13.505 ( 0.144 -3.451 -3.085) 4.631 13.984 ( 4.281 -0.541 6.197) 7.551 14.043 ( 10.224 0.048 1.743) 10.372 14.436 ( 9.406 -0.439 -5.838) 11.079 ======================= Grid point 181 (82/160) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 8.005 2.785 1.990) 8.706 2.856 ( 5.658 -3.864 -14.346) 15.898 3.030 ( 9.581 5.661 1.600) 11.242 3.123 ( -6.083 7.144 6.524) 11.428 3.300 ( -5.779 -9.157 -24.551) 26.833 3.329 ( 1.170 8.154 -3.383) 8.905 3.735 ( 8.731 7.493 2.458) 11.766 3.922 ( 4.365 4.361 4.496) 7.634 4.101 ( -1.227 -11.125 2.675) 11.508 4.231 ( -1.417 -3.604 -6.989) 7.990 4.597 ( -9.000 5.622 -5.788) 12.087 4.804 ( -3.415 -2.426 -2.315) 4.786 5.141 ( -8.502 -4.896 1.037) 9.866 5.247 ( -8.718 -9.619 -1.703) 13.092 5.316 ( 6.340 -2.423 23.823) 24.771 5.707 ( 7.000 2.911 -1.034) 7.651 5.900 ( -5.774 0.081 -0.084) 5.776 6.149 ( 0.391 9.706 14.202) 17.206 6.348 ( -1.686 2.029 -0.258) 2.651 6.498 ( 6.451 -3.112 -1.429) 7.303 6.726 ( 4.612 3.348 -5.708) 8.066 6.929 ( 5.377 -2.475 5.149) 7.845 7.125 ( -3.267 -2.277 -4.163) 5.761 7.218 ( 5.719 -4.421 -5.853) 9.301 7.335 ( -8.984 -0.869 -6.137) 10.915 7.739 ( 1.821 -0.806 6.431) 6.732 7.866 ( -2.339 0.133 1.923) 3.031 8.087 ( -0.588 1.433 -0.444) 1.612 8.140 ( 0.869 0.361 -0.100) 0.946 8.238 ( -3.266 0.264 -0.289) 3.289 8.273 ( -2.406 -0.261 -3.958) 4.639 8.472 ( -12.607 3.116 0.742) 13.008 10.045 ( 3.088 0.214 1.970) 3.669 11.007 ( -0.351 1.571 -2.169) 2.701 12.752 ( 0.473 0.653 -0.067) 0.809 13.531 ( -0.135 -4.466 -2.378) 5.061 14.087 ( 3.233 0.161 7.717) 8.368 14.186 ( 7.127 1.805 1.141) 7.440 14.527 ( 4.748 -0.955 -5.435) 7.279 ======================= Grid point 182 (83/160) ======================= q-point: (-0.56 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -0.259 10.469 1.196) 10.540 2.839 ( -3.413 15.750 4.921) 16.850 2.973 ( -1.905 -2.042 -4.066) 4.933 3.159 ( -1.622 -13.802 -23.369) 27.189 3.244 ( 3.736 -0.630 -8.492) 9.299 3.348 ( 14.121 0.918 7.052) 15.811 3.669 ( -3.211 10.529 -11.928) 16.231 3.949 ( 1.431 7.128 -13.095) 14.978 4.086 ( 10.414 5.060 2.444) 11.833 4.418 ( 0.486 -13.990 13.532) 19.470 4.516 ( 1.309 -4.950 -3.879) 6.423 4.807 ( -1.001 -4.096 1.936) 4.640 5.030 ( -9.248 -6.141 -2.821) 11.454 5.147 ( -22.793 9.879 14.658) 28.844 5.229 ( -3.605 -4.962 3.245) 6.939 5.797 ( -4.909 1.571 1.466) 5.358 5.925 ( -0.717 -5.300 8.320) 9.891 6.198 ( 6.122 5.414 12.233) 14.711 6.347 ( 3.519 4.735 3.908) 7.077 6.608 ( 5.135 1.190 -7.279) 8.987 6.633 ( -3.570 -2.564 -4.245) 6.111 6.988 ( 4.997 -0.093 4.143) 6.492 7.141 ( -2.460 -4.643 -10.248) 11.516 7.260 ( 5.136 0.618 -7.168) 8.840 7.379 ( 7.522 -5.708 2.199) 9.695 7.652 ( -8.242 2.710 -2.317) 8.981 7.862 ( -2.564 -0.837 2.560) 3.719 8.044 ( -3.455 2.708 -3.413) 5.561 8.112 ( -0.075 -1.262 -2.994) 3.250 8.196 ( -0.968 -1.884 -0.034) 2.118 8.295 ( 3.970 0.390 3.320) 5.190 8.367 ( -2.313 -1.083 3.204) 4.097 10.091 ( 1.782 1.020 1.640) 2.628 10.978 ( 0.094 1.678 -2.252) 2.810 12.754 ( 0.631 0.779 -0.147) 1.013 13.550 ( -1.253 -3.701 -1.571) 4.211 14.156 ( 0.975 1.653 7.534) 7.775 14.243 ( 2.998 4.718 0.547) 5.617 14.556 ( 0.992 -1.714 -5.427) 5.777 ======================= Grid point 183 (84/160) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -4.658 32.712 17.391) 37.340 2.644 ( -11.665 9.343 0.459) 14.953 2.981 ( 0.458 -0.195 -5.055) 5.080 3.177 ( 2.709 -2.741 -8.693) 9.508 3.310 ( -5.576 -4.640 -8.765) 11.378 3.405 ( 7.223 -12.143 3.755) 14.619 3.704 ( 12.682 1.705 -0.886) 12.826 3.980 ( 12.649 0.489 -18.787) 22.654 4.172 ( 5.379 1.393 -7.762) 9.546 4.383 ( -8.861 2.658 2.384) 9.553 4.598 ( 1.253 0.465 -1.740) 2.194 4.736 ( -18.503 -0.180 12.576) 22.373 4.915 ( 0.862 -1.191 7.026) 7.178 5.009 ( -4.746 -9.726 -0.499) 10.834 5.242 ( -1.760 -1.789 6.347) 6.825 5.682 ( -7.572 1.468 2.713) 8.176 5.888 ( -6.311 -0.674 1.340) 6.486 6.176 ( -4.550 9.368 -5.373) 11.719 6.415 ( 7.101 2.273 16.384) 18.001 6.641 ( 6.789 4.626 -2.218) 8.510 6.677 ( 0.351 -3.776 -5.549) 6.721 7.065 ( -1.544 -0.249 -6.254) 6.446 7.162 ( 0.880 -8.790 -0.218) 8.836 7.287 ( 4.890 -3.998 -3.737) 7.339 7.482 ( -0.188 0.045 -5.649) 5.652 7.606 ( 5.445 -3.148 3.182) 7.049 7.816 ( -3.862 1.230 1.114) 4.204 7.967 ( 1.137 0.979 -0.983) 1.794 8.102 ( -3.061 1.542 2.767) 4.405 8.172 ( -3.724 -2.355 0.219) 4.412 8.371 ( 2.010 -0.689 -0.348) 2.153 8.472 ( 9.118 -5.444 4.203) 11.421 10.095 ( -0.259 2.021 0.539) 2.107 10.957 ( 0.460 1.450 -1.364) 2.043 12.755 ( 0.546 0.685 -0.306) 0.928 13.541 ( -2.131 -1.761 -0.630) 2.835 14.159 ( -1.795 3.934 4.900) 6.535 14.207 ( -0.755 6.527 0.950) 6.639 14.534 ( -1.789 -1.426 -6.474) 6.867 ======================= Grid point 184 (85/160) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -15.686 29.557 8.175) 34.446 2.297 ( -7.361 27.083 22.882) 36.211 2.886 ( -3.322 3.855 -5.252) 7.313 3.212 ( -5.816 0.424 10.120) 11.680 3.434 ( 2.403 -2.821 7.981) 8.800 3.529 ( -4.869 -9.979 2.053) 11.291 3.825 ( 9.713 -11.282 3.373) 15.265 4.013 ( 7.789 -3.839 -21.388) 23.084 4.279 ( 4.127 3.940 -4.556) 7.301 4.427 ( 19.447 -5.479 -16.848) 26.307 4.534 ( -13.781 -1.442 10.130) 17.165 4.568 ( -4.025 -7.174 -6.867) 10.716 4.921 ( -2.498 2.702 0.152) 3.682 4.991 ( -1.121 1.646 -2.845) 3.472 5.328 ( 5.936 -0.975 8.563) 10.465 5.578 ( -5.491 -0.044 2.909) 6.214 5.807 ( -4.799 0.732 2.504) 5.463 6.027 ( 0.122 8.606 -0.206) 8.609 6.470 ( -4.641 3.359 -11.140) 12.527 6.570 ( -2.343 9.409 0.523) 9.710 6.766 ( 6.571 -1.447 3.738) 7.697 7.011 ( -3.232 -3.019 -4.211) 6.106 7.160 ( -2.087 -5.514 -5.045) 7.759 7.447 ( 0.437 -6.017 1.182) 6.148 7.470 ( 0.426 -2.385 1.007) 2.624 7.728 ( 2.773 -4.457 2.382) 5.764 7.800 ( 4.972 0.393 -0.134) 4.990 7.990 ( -3.718 3.585 0.039) 5.165 8.063 ( 3.397 -0.943 5.279) 6.348 8.160 ( -1.360 -2.182 5.056) 5.672 8.395 ( 0.561 -0.519 -2.247) 2.374 8.741 ( 11.776 -10.254 5.197) 16.457 10.055 ( -1.778 2.383 -0.615) 3.036 10.957 ( 1.269 0.484 0.388) 1.412 12.756 ( 0.342 0.360 -0.416) 0.648 13.515 ( -1.475 0.499 0.539) 1.648 14.071 ( -3.046 7.558 -0.009) 8.149 14.128 ( -3.386 5.307 2.839) 6.906 14.440 ( -5.541 1.166 -9.194) 10.798 ======================= Grid point 185 (86/160) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -13.385 26.587 16.866) 34.212 2.079 ( -10.549 21.242 29.870) 38.141 2.747 ( -3.486 21.233 27.058) 34.571 3.066 ( -7.596 4.646 9.996) 13.387 3.430 ( -6.082 -8.213 2.839) 10.607 3.747 ( 1.128 -15.264 -4.662) 16.000 4.002 ( -0.734 -7.066 -11.160) 13.229 4.190 ( 10.071 -10.844 -3.748) 15.266 4.243 ( 1.538 -0.619 -12.496) 12.606 4.410 ( -2.115 4.592 3.838) 6.348 4.468 ( -1.230 -1.597 -8.713) 8.943 4.700 ( 9.146 -0.862 -7.771) 12.032 4.883 ( 3.866 4.908 -5.342) 8.220 5.048 ( 9.975 -10.092 -0.324) 14.193 5.461 ( 0.549 -4.609 1.819) 4.985 5.580 ( 7.873 6.551 7.551) 12.725 5.745 ( -4.094 -0.432 3.053) 5.126 6.003 ( 4.549 5.731 -2.756) 7.819 6.227 ( -4.474 6.156 -19.256) 20.705 6.415 ( -7.585 5.906 -0.388) 9.621 6.775 ( -5.007 2.420 -2.065) 5.933 7.044 ( 0.815 -1.001 4.779) 4.951 7.090 ( -7.245 -4.325 -4.035) 9.353 7.442 ( -3.568 3.235 1.516) 5.049 7.543 ( 5.142 -2.746 1.434) 6.004 7.783 ( -3.846 -2.828 5.070) 6.964 7.889 ( 2.125 0.189 -6.975) 7.294 7.937 ( 4.223 -1.693 2.217) 5.061 8.113 ( -0.635 -0.081 0.552) 0.846 8.259 ( 2.679 1.096 5.075) 5.842 8.412 ( 2.208 -5.952 7.895) 10.130 9.090 ( 10.806 -16.381 5.762) 20.452 10.000 ( -1.908 1.425 -0.848) 2.528 11.002 ( 2.404 -2.240 2.537) 4.151 12.756 ( 0.130 -0.065 -0.375) 0.402 13.504 ( 1.317 2.088 1.704) 3.000 13.951 ( -0.783 9.091 -1.815) 9.303 14.026 ( -4.137 5.027 1.164) 6.614 14.214 ( -11.358 6.330 -10.618) 16.788 ======================= Grid point 186 (87/160) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 1.540 6.593 33.057) 33.743 1.905 ( -9.349 12.484 36.207) 39.423 2.788 ( 11.820 25.893 47.030) 54.972 3.016 ( 0.298 0.356 0.423) 0.628 3.363 ( -10.131 -3.287 1.488) 10.754 3.670 ( -10.955 -6.543 -20.253) 23.937 4.015 ( -2.081 -7.322 -2.509) 8.015 4.157 ( -5.626 -2.590 -11.417) 12.989 4.257 ( -3.151 2.126 -2.484) 4.541 4.375 ( -0.921 4.157 -13.465) 14.122 4.433 ( 4.431 1.644 -0.317) 4.737 4.863 ( 11.590 7.279 -5.154) 14.625 5.046 ( 14.423 -16.393 6.125) 22.677 5.303 ( 7.388 -6.690 -1.779) 10.124 5.484 ( 0.188 -3.261 -0.528) 3.309 5.693 ( 5.758 4.704 3.861) 8.378 5.745 ( 0.881 -4.518 -7.434) 8.744 5.947 ( 3.547 1.743 -26.500) 26.793 6.121 ( 3.126 9.161 6.175) 11.482 6.281 ( -2.412 0.638 2.540) 3.560 6.649 ( -3.856 2.927 -1.796) 5.163 6.863 ( -15.109 -2.096 1.123) 15.295 7.179 ( 5.583 2.280 3.052) 6.759 7.313 ( -5.767 5.932 1.407) 8.392 7.609 ( 0.081 -0.795 -1.390) 1.604 7.777 ( -0.135 0.244 0.758) 0.807 7.883 ( -0.212 -1.016 -1.164) 1.559 8.008 ( -0.092 1.452 -0.852) 1.686 8.085 ( 2.306 3.225 -1.198) 4.142 8.235 ( -0.954 0.328 -1.222) 1.585 8.644 ( 1.317 -11.039 17.169) 20.455 9.383 ( 1.035 -16.605 0.268) 16.639 9.965 ( -1.395 -0.077 -0.292) 1.427 11.094 ( 0.974 -6.183 2.736) 6.832 12.757 ( -0.057 -0.347 -0.238) 0.425 13.547 ( 5.562 2.490 2.226) 6.487 13.822 ( -4.436 14.405 -7.559) 16.862 13.900 ( -3.649 4.710 -0.839) 6.017 13.980 ( 0.374 3.221 -0.069) 3.244 ======================= Grid point 189 (88/160) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 0.257 0.000 -20.321) 20.323 2.838 ( 14.065 0.000 5.600) 15.139 3.035 ( -0.193 -0.000 -11.142) 11.144 3.215 ( -3.400 -0.000 -18.481) 18.791 3.281 ( 8.910 0.000 4.114) 9.814 3.458 ( 0.893 0.000 6.636) 6.696 3.751 ( -6.005 -0.000 6.714) 9.008 3.878 ( 12.441 0.000 12.121) 17.370 4.103 ( 1.950 0.000 -3.794) 4.265 4.161 ( 0.785 0.000 -8.217) 8.254 4.720 ( -15.540 -0.000 -10.141) 18.557 4.751 ( -1.814 -0.000 -8.108) 8.308 5.040 ( -19.858 -0.000 3.243) 20.122 5.137 ( -1.759 -0.000 8.235) 8.420 5.289 ( 16.798 0.000 23.351) 28.765 5.773 ( 9.145 0.000 -10.031) 13.574 5.887 ( -13.484 -0.000 1.981) 13.629 6.289 ( 0.502 0.000 7.088) 7.106 6.373 ( -1.441 -0.000 1.622) 2.170 6.443 ( 3.637 0.000 5.939) 6.964 6.782 ( 8.758 0.000 -9.369) 12.825 6.875 ( 8.496 0.000 5.894) 10.341 7.114 ( -7.652 -0.000 -2.928) 8.193 7.132 ( 5.033 0.000 -4.768) 6.933 7.340 ( -8.938 -0.000 -6.346) 10.961 7.740 ( 0.157 0.000 8.287) 8.288 7.852 ( 0.453 0.000 2.898) 2.933 8.102 ( 1.832 0.000 0.517) 1.904 8.153 ( -0.178 -0.000 -2.007) 2.014 8.242 ( -6.386 -0.000 -2.345) 6.803 8.262 ( -1.854 -0.000 -1.380) 2.312 8.505 ( -14.619 -0.000 -1.312) 14.678 10.048 ( 3.407 0.000 2.050) 3.976 11.024 ( -0.470 -0.000 -2.386) 2.432 12.758 ( 0.462 0.000 -0.109) 0.474 13.487 ( 0.672 0.000 -1.567) 1.705 14.088 ( 3.845 0.000 7.815) 8.710 14.204 ( 8.451 0.000 0.492) 8.465 14.518 ( 4.638 0.000 -5.732) 7.373 ======================= Grid point 190 (89/160) ======================= q-point: (-0.67 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 1.876 -5.367 -12.322) 13.571 2.842 ( -3.967 -3.108 -6.599) 8.303 2.996 ( -1.811 -3.411 -17.737) 18.153 3.301 ( 1.998 6.076 -12.162) 13.741 3.349 ( 17.397 4.137 4.727) 18.496 3.402 ( 1.935 21.777 12.884) 25.377 3.813 ( 1.436 -4.190 -0.869) 4.514 4.012 ( 4.145 -7.023 -3.742) 8.973 4.090 ( -1.465 1.242 -8.137) 8.360 4.262 ( 7.065 3.247 6.068) 9.863 4.420 ( -7.544 -3.980 -9.240) 12.575 4.737 ( -6.486 -3.757 7.351) 10.499 4.817 ( -8.818 -7.998 3.846) 12.510 5.133 ( -3.175 -3.255 7.996) 9.198 5.487 ( -10.155 17.796 6.693) 21.555 5.740 ( -1.564 -8.449 5.727) 10.326 5.852 ( -1.449 -1.742 7.182) 7.531 6.292 ( 1.166 3.161 3.767) 5.054 6.414 ( 7.739 2.245 5.097) 9.535 6.532 ( 1.352 -2.869 1.500) 3.509 6.687 ( -4.514 1.636 -14.145) 14.938 7.013 ( 3.128 1.759 2.687) 4.483 7.086 ( -0.484 1.014 -4.274) 4.419 7.224 ( 7.787 -9.274 4.166) 12.807 7.274 ( 3.487 0.505 -9.659) 10.281 7.686 ( -8.421 0.944 0.440) 8.485 7.851 ( -1.483 -0.180 2.073) 2.555 8.090 ( -3.772 1.994 -4.845) 6.456 8.106 ( -1.745 0.194 -3.673) 4.071 8.168 ( 1.097 -0.963 0.889) 1.709 8.271 ( -1.087 -2.085 4.307) 4.907 8.373 ( -1.565 0.898 1.237) 2.188 10.107 ( 2.413 0.475 1.969) 3.151 11.003 ( 0.031 0.771 -2.803) 2.908 12.765 ( 0.577 0.326 -0.240) 0.705 13.498 ( 0.105 -1.493 0.035) 1.497 14.178 ( 2.061 0.603 7.613) 7.910 14.311 ( 5.538 2.083 -0.520) 5.940 14.529 ( 0.306 -0.880 -5.536) 5.614 ======================= Grid point 191 (90/160) ======================= q-point: (-0.56 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -5.104 1.389 -1.372) 5.465 2.864 ( 1.580 -14.262 -4.644) 15.082 2.936 ( 0.384 -3.824 -10.501) 11.182 3.194 ( 0.842 29.384 13.670) 32.419 3.259 ( 5.153 -0.299 -8.578) 10.011 3.536 ( -8.848 14.190 7.891) 18.491 3.755 ( 13.305 4.013 -8.496) 16.289 4.011 ( 10.006 2.374 -19.828) 22.336 4.166 ( 2.029 -5.581 -3.555) 6.921 4.286 ( -0.603 -8.722 -11.165) 14.181 4.497 ( 1.183 -10.622 -0.455) 10.698 4.695 ( -12.582 -11.667 16.020) 23.475 4.930 ( 4.478 1.854 11.780) 12.738 5.046 ( -13.046 20.039 4.598) 24.350 5.192 ( -2.253 -3.248 9.498) 10.287 5.700 ( -8.596 0.259 0.863) 8.643 5.857 ( -3.981 -3.184 4.932) 7.093 6.305 ( -0.009 3.396 -5.292) 6.288 6.445 ( -2.321 0.440 4.512) 5.093 6.605 ( 1.784 -2.706 -0.262) 3.252 6.693 ( 9.389 -1.176 -1.265) 9.547 7.043 ( 1.422 0.497 -4.961) 5.185 7.076 ( 1.095 0.035 0.390) 1.163 7.237 ( -1.329 -1.710 -5.105) 5.545 7.443 ( 5.151 -5.992 0.154) 7.903 7.567 ( -0.298 0.651 -2.923) 3.010 7.832 ( -2.150 0.640 0.269) 2.260 7.991 ( -1.062 1.873 -1.239) 2.483 8.100 ( -1.094 -2.141 1.714) 2.953 8.160 ( -2.779 1.434 0.818) 3.232 8.349 ( 2.346 -4.750 3.473) 6.334 8.386 ( 3.521 -0.325 0.671) 3.599 10.130 ( 0.419 1.440 1.045) 1.828 10.981 ( 0.116 1.012 -2.302) 2.517 12.767 ( 0.376 0.489 -0.472) 0.777 13.512 ( -0.519 -1.161 1.682) 2.109 14.216 ( -0.266 2.163 5.736) 6.136 14.326 ( 1.218 5.556 -1.582) 5.903 14.501 ( -1.583 -2.104 -5.377) 5.987 ======================= Grid point 192 (91/160) ======================= q-point: (-0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -11.881 8.511 8.001) 16.662 2.858 ( -6.075 28.044 10.667) 30.613 2.961 ( 0.565 4.667 -5.122) 6.952 3.087 ( 3.369 -18.108 -5.248) 19.151 3.306 ( 0.159 10.457 10.064) 14.514 3.442 ( 8.865 -11.211 2.595) 14.526 3.856 ( -2.030 7.202 7.089) 10.307 3.964 ( -2.238 -0.114 -15.927) 16.084 4.312 ( 8.009 -5.124 -15.650) 18.312 4.337 ( 13.944 -2.948 -16.511) 21.811 4.455 ( -8.404 2.036 9.553) 12.885 4.592 ( -6.200 4.425 5.102) 9.168 4.859 ( -2.619 -9.503 3.532) 10.471 5.007 ( -1.897 5.448 -1.477) 5.955 5.301 ( 2.258 -2.411 14.086) 14.468 5.596 ( -2.142 0.450 2.592) 3.393 5.838 ( -0.720 2.008 0.373) 2.166 6.179 ( -0.742 7.291 -5.294) 9.041 6.500 ( -2.825 -2.100 -2.959) 4.599 6.646 ( -1.897 -3.679 0.185) 4.144 6.736 ( 2.890 -1.727 -3.877) 5.135 6.998 ( -5.494 1.954 -2.544) 6.362 7.061 ( 2.655 -1.051 -1.881) 3.420 7.331 ( 3.776 -5.184 2.726) 6.969 7.455 ( -0.963 0.438 -1.183) 1.587 7.659 ( 5.524 -3.312 -0.175) 6.443 7.803 ( 1.896 -0.015 -0.091) 1.898 8.028 ( 0.111 -2.117 2.986) 3.663 8.066 ( -2.484 1.957 0.303) 3.177 8.123 ( -0.627 -0.141 5.086) 5.126 8.386 ( 0.541 -0.119 0.248) 0.607 8.547 ( 6.207 -9.764 2.360) 11.808 10.103 ( -1.568 2.401 -0.448) 2.902 10.968 ( 0.320 0.529 -1.039) 1.209 12.763 ( 0.029 0.377 -0.679) 0.777 13.523 ( -0.111 0.370 3.344) 3.366 14.186 ( -2.033 4.591 2.285) 5.517 14.245 ( -2.382 6.473 -1.339) 7.027 14.451 ( -2.795 -0.162 -6.587) 7.157 ======================= Grid point 193 (92/160) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -13.099 23.211 13.071) 29.685 2.442 ( -16.726 22.026 13.765) 30.893 2.972 ( 5.440 5.692 0.305) 7.879 3.228 ( 0.215 -6.394 4.192) 7.649 3.421 ( -1.607 -9.839 0.999) 10.019 3.523 ( -1.354 18.882 23.786) 30.400 3.843 ( 2.819 -9.381 -2.238) 10.048 3.953 ( 6.344 -8.799 -4.673) 11.811 4.189 ( -10.513 -4.611 0.942) 11.518 4.442 ( 8.259 -0.169 -18.013) 19.816 4.515 ( -0.236 5.282 7.167) 8.906 4.717 ( 19.749 -0.626 -13.281) 23.808 4.867 ( -0.612 -0.462 -6.972) 7.014 4.921 ( -1.564 -7.343 -0.652) 7.536 5.368 ( -1.537 -3.012 4.174) 5.372 5.677 ( 4.667 0.661 8.608) 9.814 5.803 ( 3.271 7.645 0.119) 8.316 6.110 ( 2.782 5.279 -9.532) 11.245 6.355 ( -3.316 5.635 -12.230) 13.868 6.475 ( -12.409 0.739 -6.490) 14.023 6.826 ( -5.242 0.606 0.419) 5.293 6.978 ( 3.455 -5.424 3.383) 7.267 7.057 ( -1.771 2.269 0.478) 2.918 7.412 ( -0.572 -5.519 2.403) 6.046 7.489 ( 5.485 -2.686 1.997) 6.425 7.752 ( 0.107 -0.090 3.939) 3.942 7.896 ( 6.483 -2.306 -0.006) 6.881 7.923 ( -3.437 1.446 -3.201) 4.914 8.114 ( 0.804 1.132 1.520) 2.058 8.202 ( 2.533 -5.580 10.607) 12.250 8.371 ( -2.147 0.371 -1.357) 2.567 8.777 ( 4.755 -15.765 4.713) 17.128 10.039 ( -2.360 2.475 -1.421) 3.704 10.975 ( 0.631 -0.758 0.537) 1.123 12.755 ( -0.245 0.001 -0.704) 0.745 13.545 ( 1.823 2.110 4.743) 5.502 14.103 ( -1.302 6.946 -0.556) 7.089 14.133 ( -3.104 5.938 -0.773) 6.745 14.321 ( -5.972 4.508 -9.145) 11.816 ======================= Grid point 194 (93/160) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -6.917 24.318 16.924) 30.424 2.140 ( -13.811 12.665 30.371) 35.687 3.012 ( 3.691 2.280 -0.414) 4.358 3.269 ( -2.986 -0.211 6.392) 7.059 3.356 ( -0.095 10.679 11.423) 15.638 3.557 ( 1.781 5.656 8.054) 10.001 3.873 ( -3.062 -7.509 -3.983) 9.034 4.077 ( -6.438 -4.838 0.501) 8.069 4.226 ( 5.005 -5.348 -5.092) 8.921 4.432 ( 4.526 2.622 -8.107) 9.647 4.556 ( 3.523 7.992 -1.242) 8.822 4.728 ( 3.620 -10.288 1.478) 11.006 4.971 ( 3.440 -4.623 -4.172) 7.114 5.136 ( 16.078 -7.297 -7.836) 19.317 5.414 ( 1.905 -3.206 2.875) 4.709 5.653 ( -6.190 0.462 -2.425) 6.664 5.847 ( 5.935 7.042 -8.670) 12.648 6.016 ( 4.401 5.183 -18.973) 20.155 6.241 ( -5.593 0.545 -5.432) 7.816 6.304 ( 3.098 4.052 3.162) 6.001 6.706 ( -4.615 3.965 -1.293) 6.220 6.854 ( -13.228 1.193 4.044) 13.883 7.200 ( 7.728 -1.175 6.311) 10.046 7.410 ( -2.373 1.707 2.531) 3.866 7.586 ( -3.411 0.097 -0.851) 3.517 7.763 ( 4.474 -3.001 0.322) 5.397 7.897 ( 1.955 2.074 -3.644) 4.626 8.003 ( 2.737 -1.437 0.389) 3.115 8.123 ( 1.127 0.719 1.634) 2.111 8.271 ( -3.023 2.757 -1.945) 4.530 8.398 ( -0.968 -12.762 13.453) 18.569 9.018 ( -0.878 -20.264 4.994) 20.889 9.979 ( -1.585 1.513 -1.051) 2.430 11.007 ( 0.257 -2.862 1.785) 3.383 12.749 ( -0.356 -0.451 -0.521) 0.776 13.601 ( 4.921 3.017 5.401) 7.905 14.003 ( -3.044 6.073 -0.161) 6.795 14.065 ( -1.269 5.955 -1.868) 6.369 14.081 ( -2.396 10.907 -10.429) 15.279 ======================= Grid point 195 (94/160) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 7.149 6.544 28.016) 29.645 2.112 ( 1.880 5.090 34.156) 34.584 3.040 ( 0.019 -1.820 -1.296) 2.235 3.212 ( -4.192 0.850 0.047) 4.278 3.283 ( -3.802 -0.655 -13.245) 13.796 3.652 ( 15.190 23.179 30.668) 41.335 3.891 ( -3.300 -6.326 1.781) 7.354 3.948 ( -8.770 -1.911 -1.895) 9.174 4.200 ( -2.515 2.917 -11.852) 12.462 4.368 ( -0.880 9.245 -11.540) 14.813 4.517 ( 3.393 5.036 -3.189) 6.859 5.022 ( 6.983 -11.943 0.226) 13.837 5.101 ( 5.343 -7.009 6.444) 10.918 5.270 ( -0.601 -7.927 -9.549) 12.425 5.471 ( -5.446 -0.866 1.660) 5.758 5.577 ( 0.782 -7.094 -5.056) 8.746 5.764 ( 10.754 4.764 -27.807) 30.193 6.004 ( 2.785 1.594 2.243) 3.915 6.252 ( 7.423 -1.158 -8.872) 11.626 6.356 ( 3.520 4.449 4.551) 7.273 6.618 ( -4.296 1.814 5.458) 7.179 6.675 ( -7.024 3.815 6.100) 10.055 7.251 ( -2.338 5.715 -0.300) 6.182 7.402 ( 3.855 5.194 6.054) 8.859 7.528 ( -1.856 -4.390 -1.674) 5.051 7.756 ( -4.341 2.505 -8.085) 9.512 7.902 ( 0.434 2.376 2.203) 3.269 8.036 ( 2.352 0.834 -0.028) 2.495 8.140 ( 0.781 1.970 0.423) 2.161 8.211 ( -0.316 -0.206 -0.379) 0.534 8.553 ( -6.187 -14.158 11.774) 19.425 9.133 ( -10.390 -17.974 2.124) 20.869 9.950 ( -0.474 0.721 0.005) 0.863 11.045 ( -1.268 -4.188 1.823) 4.740 12.747 ( -0.330 -0.723 -0.277) 0.842 13.708 ( 8.167 2.725 4.820) 9.867 13.792 ( -6.492 11.829 -6.703) 15.066 13.920 ( -0.555 4.645 0.439) 4.699 14.137 ( 11.525 4.376 -3.957) 12.947 ======================= Grid point 199 (95/160) ======================= q-point: (-0.67 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 2.661 0.000 -7.001) 7.489 2.752 ( -4.544 -0.000 -0.434) 4.564 2.898 ( 2.380 0.000 -7.062) 7.453 3.246 ( 1.608 0.000 -17.509) 17.583 3.630 ( -0.692 -0.000 10.914) 10.936 3.720 ( 9.825 0.000 4.348) 10.745 3.785 ( -1.765 -0.000 15.257) 15.358 3.986 ( -4.369 -0.000 -12.400) 13.147 4.081 ( 12.969 0.000 -14.790) 19.670 4.180 ( 0.442 0.000 -18.557) 18.563 4.286 ( -3.684 -0.000 -7.346) 8.218 4.624 ( -5.257 -0.000 19.833) 20.518 4.953 ( 9.987 0.000 14.344) 17.478 5.127 ( -3.248 -0.000 12.663) 13.073 5.334 ( -16.570 -0.000 -2.161) 16.711 5.697 ( -6.085 -0.000 -0.585) 6.113 5.791 ( -5.122 -0.000 11.505) 12.594 6.323 ( 1.408 0.000 -0.071) 1.409 6.430 ( -8.778 -0.000 -5.911) 10.583 6.608 ( 1.167 0.000 -5.501) 5.623 6.646 ( 10.375 0.000 3.616) 10.987 7.078 ( 2.611 0.000 1.873) 3.213 7.097 ( 3.099 0.000 -5.378) 6.207 7.221 ( -3.814 -0.000 -5.094) 6.364 7.346 ( 7.647 0.000 4.619) 8.934 7.583 ( -0.964 -0.000 -5.413) 5.499 7.839 ( -1.126 -0.000 0.223) 1.148 8.036 ( -3.204 -0.000 1.918) 3.734 8.049 ( -2.270 -0.000 -2.865) 3.655 8.193 ( 0.857 0.000 0.946) 1.277 8.275 ( 2.002 0.000 3.673) 4.183 8.394 ( 1.010 0.000 0.964) 1.396 10.144 ( 0.644 0.000 1.304) 1.455 10.991 ( -0.077 -0.000 -2.685) 2.686 12.772 ( 0.304 0.000 -0.530) 0.611 13.501 ( 0.128 0.000 2.568) 2.571 14.237 ( 0.311 0.000 5.848) 5.856 14.392 ( 3.700 0.000 -2.050) 4.230 14.468 ( -3.249 -0.000 -5.303) 6.219 ======================= Grid point 201 (96/160) ======================= q-point: (-0.56 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -7.639 2.456 5.363) 9.651 2.770 ( 3.803 -9.941 -1.461) 10.743 2.986 ( 8.430 2.548 0.904) 8.852 3.250 ( 7.029 -6.133 -10.730) 14.218 3.443 ( -12.610 22.640 5.259) 26.443 3.583 ( -8.961 13.896 13.933) 21.622 3.856 ( -1.945 -3.879 2.718) 5.120 3.895 ( -5.227 -6.141 -10.243) 13.036 4.218 ( 3.834 -7.018 -6.541) 10.331 4.288 ( 17.685 -3.518 -20.273) 27.132 4.343 ( 9.951 -8.648 -18.265) 22.526 4.661 ( -2.186 3.958 23.175) 23.612 4.982 ( -9.531 14.528 9.116) 19.622 5.111 ( -4.073 4.446 2.167) 6.407 5.230 ( 4.962 -4.014 12.543) 14.073 5.579 ( -4.567 -1.443 1.034) 4.899 5.833 ( 1.978 -2.993 1.674) 3.959 6.285 ( -2.047 3.120 -3.166) 4.894 6.378 ( -0.503 -6.383 2.317) 6.809 6.588 ( -2.272 0.042 -5.028) 5.517 6.651 ( -6.032 -5.469 -10.837) 13.555 7.087 ( -0.146 5.139 0.450) 5.160 7.109 ( 3.223 3.009 -0.594) 4.449 7.255 ( 4.392 -2.725 4.505) 6.856 7.461 ( 2.084 -0.696 -1.253) 2.530 7.610 ( 6.925 -1.154 -1.568) 7.193 7.805 ( -0.946 0.214 -2.171) 2.378 8.000 ( -1.803 -0.483 1.887) 2.655 8.026 ( -3.599 -2.887 3.351) 5.703 8.187 ( 0.624 3.893 1.771) 4.323 8.380 ( 3.989 -2.758 2.973) 5.688 8.403 ( 0.281 -2.696 -0.386) 2.739 10.137 ( -1.439 0.982 -0.126) 1.746 10.975 ( -0.177 0.225 -1.780) 1.803 12.768 ( -0.186 0.164 -0.832) 0.868 13.528 ( 0.758 0.128 5.028) 5.086 14.246 ( -1.164 1.668 3.168) 3.764 14.350 ( -3.201 4.222 -3.838) 6.542 14.431 ( -0.309 -1.786 -4.715) 5.051 ======================= Grid point 202 (97/160) ======================= q-point: (-0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -9.684 7.289 12.983) 17.762 2.960 ( 4.578 -13.883 -1.147) 14.663 2.969 ( -14.102 28.134 -0.906) 31.483 3.095 ( 7.829 5.163 4.377) 10.350 3.360 ( -8.381 2.998 8.447) 12.271 3.519 ( 5.683 -9.239 6.931) 12.873 3.819 ( -4.467 -4.224 -4.711) 7.745 3.869 ( 1.202 -3.103 -0.716) 3.404 4.163 ( -10.774 -5.879 4.102) 12.940 4.461 ( 14.646 1.449 -21.308) 25.897 4.549 ( 9.361 -1.309 -6.848) 11.672 4.737 ( 10.813 5.029 7.445) 14.059 4.810 ( -1.677 6.548 -0.166) 6.762 4.984 ( -3.988 8.221 0.426) 9.147 5.344 ( 1.260 -0.273 6.618) 6.742 5.628 ( 2.281 -5.030 4.948) 7.415 5.914 ( 5.581 0.501 -0.602) 5.635 6.203 ( -0.676 5.210 -10.659) 11.884 6.396 ( -4.718 -1.223 -0.302) 4.883 6.442 ( -7.513 -3.544 -8.134) 11.626 6.699 ( 2.818 -9.964 1.380) 10.447 7.007 ( -1.260 7.014 -0.309) 7.133 7.136 ( 1.521 3.873 1.839) 4.549 7.321 ( -0.066 -3.231 -0.791) 3.327 7.441 ( -0.761 -1.498 -0.037) 1.681 7.759 ( 6.032 0.245 2.871) 6.684 7.843 ( 4.528 -2.894 -0.719) 5.422 7.925 ( -5.324 -0.820 -1.702) 5.649 8.087 ( -0.102 -6.428 8.797) 10.896 8.173 ( 0.905 4.421 2.364) 5.095 8.375 ( -2.110 -0.462 -0.943) 2.356 8.535 ( 2.880 -8.991 2.599) 9.792 10.082 ( -2.718 1.818 -1.523) 3.607 10.968 ( 0.173 -0.112 -0.568) 0.605 12.756 ( -0.581 0.038 -0.965) 1.127 13.578 ( 2.244 1.261 7.057) 7.511 14.206 ( -2.172 3.863 1.274) 4.611 14.235 ( -2.578 4.374 -3.504) 6.169 14.379 ( -2.535 1.795 -7.112) 7.760 ======================= Grid point 203 (98/160) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -8.678 12.674 20.527) 25.638 2.460 ( -14.171 28.405 4.196) 32.020 3.067 ( 0.116 1.874 -0.046) 1.878 3.191 ( 0.197 -6.773 -0.374) 6.786 3.265 ( -4.699 -3.405 6.667) 8.839 3.700 ( 0.589 -8.015 2.931) 8.554 3.791 ( -0.405 -2.702 -3.152) 4.171 4.017 ( 5.413 -4.940 7.758) 10.672 4.173 ( 4.986 -1.647 9.230) 10.619 4.471 ( 1.708 1.495 -6.715) 7.088 4.584 ( 2.298 5.050 2.223) 5.977 4.730 ( 0.426 -0.171 -12.658) 12.666 4.867 ( -2.211 5.220 2.844) 6.342 5.039 ( 20.456 -2.895 -8.537) 22.354 5.413 ( 4.677 2.018 4.944) 7.098 5.684 ( -2.226 0.383 1.833) 2.909 5.949 ( 1.868 2.072 -10.750) 11.106 6.087 ( 3.003 1.334 -17.353) 17.661 6.257 ( -8.871 4.767 -4.798) 11.156 6.378 ( 3.393 2.829 -0.458) 4.441 6.784 ( -0.153 1.250 5.155) 5.307 6.906 ( -8.273 5.234 2.244) 10.044 7.137 ( 2.804 -3.253 3.697) 5.667 7.377 ( 0.266 -4.212 2.929) 5.137 7.529 ( 3.391 -8.824 -3.343) 10.027 7.722 ( -4.733 0.775 0.311) 4.806 7.913 ( 3.214 -1.138 -3.401) 4.815 7.974 ( 4.706 -0.917 3.876) 6.165 8.148 ( -0.464 1.869 3.684) 4.157 8.202 ( -0.785 -6.519 6.800) 9.453 8.321 ( -3.778 0.721 -0.279) 3.856 8.675 ( -1.633 -14.531 3.841) 15.118 10.014 ( -2.071 1.875 -1.600) 3.220 10.976 ( 0.448 -0.672 0.259) 0.848 12.741 ( -0.691 -0.329 -0.817) 1.119 13.653 ( 4.204 2.353 8.169) 9.484 14.104 ( -4.365 4.443 -0.278) 6.234 14.182 ( 2.049 5.845 -2.069) 6.531 14.240 ( -3.372 5.999 -9.591) 11.804 ======================= Grid point 204 (99/160) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -1.310 18.414 14.992) 23.781 2.265 ( -2.848 9.880 25.660) 27.643 3.007 ( -6.011 -1.417 1.221) 6.295 3.194 ( -2.026 -3.748 -11.394) 12.164 3.273 ( 0.913 1.584 0.875) 2.027 3.761 ( -0.461 -6.755 -3.171) 7.477 3.828 ( -3.338 -2.836 3.571) 5.651 4.025 ( -3.268 0.972 6.378) 7.232 4.341 ( 10.531 10.784 2.056) 15.213 4.521 ( 5.906 4.032 -0.800) 7.196 4.623 ( -0.905 7.420 -9.200) 11.854 4.732 ( 5.692 -11.945 15.158) 20.121 4.845 ( -0.911 -11.626 -3.682) 12.230 5.296 ( 10.833 0.742 -7.138) 12.994 5.468 ( -0.121 1.219 4.715) 4.871 5.556 ( -5.459 6.919 -6.536) 10.972 5.882 ( 8.034 5.917 -21.342) 23.559 6.046 ( -3.259 4.910 0.282) 5.900 6.134 ( 7.427 -6.872 -17.127) 19.892 6.439 ( 3.258 2.223 3.148) 5.046 6.702 ( -11.596 5.180 7.856) 14.933 6.797 ( 3.989 8.499 6.653) 11.507 7.248 ( -0.140 -6.094 2.885) 6.744 7.429 ( -1.587 -2.000 5.941) 6.467 7.502 ( -2.094 -0.239 -4.679) 5.132 7.736 ( -1.611 -6.009 -10.051) 11.821 7.948 ( 2.738 1.592 0.669) 3.237 8.038 ( 2.107 1.580 2.000) 3.307 8.162 ( 0.481 0.516 3.532) 3.602 8.234 ( -1.940 -0.566 -1.715) 2.650 8.296 ( -4.274 -8.776 9.348) 13.516 8.778 ( -7.964 -18.094 3.951) 20.160 9.972 ( -0.375 1.511 -0.386) 1.604 10.993 ( 0.067 -1.364 0.458) 1.440 12.733 ( -0.542 -0.724 -0.475) 1.022 13.756 ( 5.846 2.397 8.035) 10.221 13.988 ( -4.762 6.754 -3.319) 8.906 14.027 ( -3.074 7.779 -4.453) 9.476 14.229 ( 8.734 4.903 -3.931) 10.760 ======================= Grid point 205 (100/160) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 12.870 5.153 18.651) 23.239 2.396 ( 9.604 -1.251 27.557) 29.210 2.922 ( -7.090 -4.469 -1.696) 8.551 3.100 ( -1.571 1.125 -14.589) 14.716 3.271 ( 2.070 3.667 -2.493) 4.894 3.682 ( -11.696 -3.258 -3.484) 12.631 3.809 ( -3.065 -8.439 0.083) 8.979 4.056 ( 0.647 2.904 -5.467) 6.224 4.344 ( 3.166 11.254 -4.944) 12.693 4.430 ( 2.771 17.224 6.650) 18.670 4.615 ( 5.645 6.032 -2.567) 8.651 4.818 ( -6.500 -13.931 -6.726) 16.780 5.139 ( 6.715 -15.195 10.075) 19.429 5.234 ( -0.663 9.462 0.054) 9.485 5.364 ( -5.877 2.943 0.170) 6.574 5.546 ( 2.982 -2.578 -4.298) 5.832 5.914 ( 13.602 3.914 -15.006) 20.628 6.029 ( -1.465 -1.786 4.092) 4.699 6.286 ( 11.049 -4.953 -15.784) 19.894 6.423 ( -2.627 1.488 5.759) 6.502 6.567 ( -6.492 2.678 10.875) 12.945 6.809 ( 4.403 10.583 4.823) 12.436 7.253 ( -1.822 0.472 -0.600) 1.975 7.411 ( -2.082 -3.383 -1.496) 4.245 7.528 ( 0.650 -0.155 0.881) 1.106 7.621 ( -5.849 -0.672 -8.750) 10.546 7.970 ( 1.102 5.135 4.395) 6.849 8.055 ( 0.854 -2.008 -2.181) 3.085 8.144 ( -2.727 1.090 2.693) 3.984 8.227 ( 0.681 0.632 0.791) 1.220 8.368 ( -4.479 -10.580 4.101) 12.199 8.780 ( -13.710 -15.738 2.220) 20.990 9.966 ( 1.012 1.235 0.869) 1.818 11.006 ( -0.649 -1.936 -0.030) 2.042 12.732 ( -0.247 -0.932 -0.163) 0.978 13.775 ( -3.943 9.412 -5.308) 11.502 13.894 ( 7.325 2.413 5.493) 9.469 13.971 ( 1.155 3.379 1.897) 4.043 14.334 ( 10.752 2.890 -4.321) 11.943 ======================= Grid point 210 (101/160) ======================= q-point: (-0.56 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -7.432 -0.000 11.092) 13.351 2.799 ( 6.170 0.000 -0.065) 6.171 3.195 ( 8.261 0.000 9.363) 12.486 3.284 ( 3.279 0.000 -2.595) 4.182 3.332 ( -13.952 -0.000 1.133) 13.998 3.497 ( -7.728 -0.000 6.451) 10.067 3.816 ( -2.430 -0.000 9.172) 9.489 3.850 ( 4.815 0.000 -9.994) 11.093 3.901 ( -21.251 -0.000 -4.003) 21.625 4.493 ( 16.413 0.000 -21.325) 26.910 4.516 ( 20.188 0.000 -18.455) 27.352 4.759 ( -3.117 -0.000 5.748) 6.539 5.044 ( 2.982 0.000 13.425) 13.752 5.081 ( -5.842 -0.000 10.656) 12.152 5.347 ( 5.822 0.000 5.702) 8.150 5.552 ( 1.731 0.000 1.171) 2.090 5.848 ( 2.064 0.000 -2.713) 3.409 6.327 ( -9.006 -0.000 -17.209) 19.423 6.330 ( 3.605 0.000 6.054) 7.046 6.377 ( -2.425 -0.000 4.826) 5.401 6.607 ( 4.009 0.000 -5.128) 6.509 7.119 ( -1.276 -0.000 3.246) 3.488 7.140 ( 0.668 0.000 -2.989) 3.063 7.298 ( 0.577 0.000 0.637) 0.860 7.436 ( -4.680 -0.000 -5.714) 7.386 7.759 ( 10.187 0.000 4.333) 11.070 7.810 ( 3.892 0.000 -1.221) 4.079 7.916 ( -6.992 -0.000 -0.177) 6.995 8.008 ( -1.752 -0.000 6.953) 7.171 8.232 ( 0.674 0.000 2.668) 2.752 8.356 ( -3.141 -0.000 -1.252) 3.382 8.455 ( 3.986 0.000 2.567) 4.741 10.100 ( -2.848 -0.000 -1.492) 3.215 10.967 ( 0.103 0.000 -0.876) 0.882 12.756 ( -0.714 -0.000 -1.063) 1.281 13.590 ( 2.406 0.000 7.901) 8.259 14.244 ( -2.248 -0.000 1.428) 2.663 14.279 ( -3.004 -0.000 -4.148) 5.121 14.394 ( -1.012 -0.000 -6.227) 6.308 ======================= Grid point 212 (102/160) ======================= q-point: (-0.44 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -6.744 5.247 14.881) 17.160 2.924 ( -2.424 4.117 -4.483) 6.552 2.985 ( -4.949 5.451 3.073) 7.978 3.254 ( -15.480 13.956 8.003) 22.326 3.293 ( 2.649 4.022 6.935) 8.443 3.530 ( 9.066 -8.112 1.381) 12.243 3.635 ( -11.008 -14.466 -5.377) 18.957 3.934 ( 8.328 -2.338 7.030) 11.147 3.950 ( 2.136 -11.955 1.314) 12.216 4.479 ( -7.415 0.214 -11.834) 13.966 4.682 ( 10.596 1.880 -14.901) 18.380 4.762 ( 7.706 -0.012 -7.782) 10.952 5.018 ( -4.096 4.767 4.032) 7.468 5.180 ( 13.521 15.746 13.721) 24.880 5.462 ( 6.414 2.774 5.652) 8.988 5.638 ( 3.281 -3.852 2.541) 5.662 5.866 ( -1.091 -7.910 -11.271) 13.813 6.138 ( -0.979 2.394 -9.318) 9.671 6.364 ( -0.671 4.445 0.990) 4.603 6.406 ( 1.977 0.076 -1.278) 2.356 6.732 ( 7.990 -3.560 4.503) 9.838 7.036 ( -3.323 7.520 1.144) 8.300 7.144 ( -4.661 0.795 0.292) 4.738 7.263 ( -1.892 -4.214 -4.419) 6.392 7.353 ( -2.561 -8.117 -4.524) 9.639 7.760 ( -8.460 2.523 -0.279) 8.832 7.896 ( 5.470 0.020 -0.974) 5.556 7.950 ( 7.181 -1.829 5.023) 8.952 8.053 ( -1.561 -6.041 8.409) 10.471 8.229 ( -0.483 3.912 2.046) 4.441 8.307 ( -3.161 -2.046 -0.345) 3.781 8.510 ( -0.913 -3.415 1.617) 3.887 10.041 ( -2.411 0.830 -1.772) 3.105 10.971 ( 0.746 -0.039 -0.375) 0.836 12.737 ( -0.905 -0.114 -1.001) 1.354 13.684 ( 3.782 0.867 9.721) 10.467 14.163 ( -4.860 1.682 -0.815) 5.207 14.263 ( 2.816 2.383 -1.992) 4.192 14.313 ( -3.007 1.881 -8.380) 9.100 ======================= Grid point 213 (103/160) ======================= q-point: (-0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -4.304 8.744 17.253) 19.815 2.545 ( -8.133 22.326 -0.106) 23.761 2.972 ( -14.134 -3.076 6.173) 15.727 3.130 ( 7.079 -0.583 -1.915) 7.357 3.314 ( 0.689 2.011 1.900) 2.851 3.598 ( -5.327 -12.127 -7.666) 15.304 3.756 ( 4.955 -3.730 6.731) 9.152 4.001 ( -3.825 -1.722 -2.407) 4.836 4.206 ( 6.770 -12.148 0.623) 13.921 4.389 ( 1.462 -12.414 1.560) 12.597 4.709 ( 5.337 2.928 -7.800) 9.894 4.818 ( 4.850 6.920 2.412) 8.787 4.873 ( -7.099 6.317 -4.461) 10.498 5.363 ( 16.995 10.996 6.516) 21.265 5.532 ( 1.048 4.663 5.370) 7.189 5.684 ( -1.095 2.836 1.796) 3.531 5.905 ( 8.500 -3.462 -11.597) 14.790 6.087 ( 5.547 3.207 -15.129) 16.430 6.229 ( -3.843 12.068 -5.651) 13.869 6.444 ( 2.478 -1.213 -0.107) 2.761 6.790 ( -10.052 4.214 5.395) 12.162 6.954 ( 5.565 7.387 5.892) 10.966 7.099 ( -1.802 -7.485 2.319) 8.041 7.326 ( -2.542 -10.290 1.874) 10.763 7.392 ( -1.713 -10.926 -7.032) 13.106 7.620 ( -5.104 -2.088 -5.065) 7.488 7.962 ( 3.597 1.095 1.226) 3.955 8.087 ( 5.030 -0.290 6.082) 7.897 8.119 ( -3.342 -5.139 4.479) 7.592 8.178 ( -1.303 2.379 -0.055) 2.713 8.282 ( -2.048 0.015 1.941) 2.822 8.514 ( -6.085 -8.570 1.723) 10.650 10.000 ( -0.469 1.264 -0.536) 1.451 10.983 ( 0.772 -0.026 -0.584) 0.968 12.721 ( -0.722 -0.426 -0.648) 1.060 13.793 ( 4.242 1.407 10.091) 11.036 14.069 ( -3.716 2.782 0.015) 4.642 14.166 ( -3.951 5.474 -8.744) 11.047 14.308 ( 6.715 3.177 -2.703) 7.905 ======================= Grid point 214 (104/160) ======================= q-point: (-0.22 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 4.404 8.193 10.435) 13.979 2.468 ( 3.279 6.370 16.218) 17.730 2.843 ( -8.764 -4.098 -0.566) 9.691 3.166 ( 3.096 5.864 -7.176) 9.771 3.324 ( 2.509 1.409 -2.211) 3.629 3.588 ( -5.010 -11.113 -6.483) 13.807 3.646 ( -14.887 -1.869 -3.689) 15.451 4.092 ( 9.664 1.161 7.633) 12.370 4.417 ( 1.994 -16.942 -6.086) 18.112 4.464 ( -3.583 -4.787 -11.309) 12.793 4.645 ( -5.934 7.509 -9.674) 13.608 4.825 ( 5.189 5.689 0.508) 7.717 4.902 ( 8.255 -6.300 19.480) 22.075 5.464 ( -4.469 8.066 6.017) 11.011 5.536 ( 2.855 17.967 -1.711) 18.273 5.555 ( 5.480 4.967 2.632) 7.850 5.992 ( 3.915 1.024 -1.177) 4.214 6.059 ( 2.868 8.422 -9.498) 13.014 6.194 ( 14.953 -3.558 -12.612) 19.883 6.458 ( -2.199 0.622 -1.647) 2.817 6.600 ( -10.728 1.237 10.770) 15.252 7.009 ( 4.564 9.609 3.921) 11.338 7.157 ( -2.604 -8.549 0.895) 8.981 7.321 ( -6.890 -8.283 -3.769) 11.414 7.455 ( 1.571 -6.947 0.210) 7.126 7.574 ( -1.595 -4.180 -7.601) 8.820 8.022 ( 3.808 0.694 2.754) 4.750 8.042 ( -7.325 -0.909 -3.608) 8.216 8.146 ( -1.072 0.697 5.234) 5.388 8.229 ( 4.553 -2.183 1.551) 5.282 8.254 ( -2.336 0.386 2.722) 3.607 8.500 ( -9.234 -12.259 2.387) 15.533 9.994 ( 0.966 1.534 1.008) 2.074 10.987 ( 0.102 -0.215 -1.088) 1.114 12.716 ( -0.329 -0.742 -0.214) 0.839 13.883 ( 0.882 2.157 5.588) 6.055 13.981 ( -0.690 5.679 -1.307) 5.868 14.036 ( -0.753 3.673 -1.733) 4.130 14.392 ( 8.769 2.979 -3.097) 9.765 ======================= Grid point 215 (105/160) ======================= q-point: (-0.11 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 11.563 1.301 5.408) 12.832 2.642 ( 8.508 -8.714 18.296) 21.978 2.753 ( -4.263 -5.242 -2.777) 7.305 3.089 ( 1.472 7.122 -7.607) 10.524 3.303 ( 0.189 4.352 -4.287) 6.112 3.467 ( -6.148 -4.262 -3.136) 8.112 3.589 ( -4.189 -11.100 -5.964) 13.279 4.137 ( -0.273 11.021 -14.047) 17.856 4.303 ( -14.459 -5.963 -13.318) 20.543 4.430 ( 4.041 5.102 5.011) 8.214 4.599 ( 2.022 -2.112 -7.387) 7.945 4.833 ( 2.345 4.412 0.874) 5.072 5.171 ( 4.100 -8.032 7.459) 11.703 5.327 ( -7.479 3.993 7.885) 11.578 5.402 ( -0.616 6.353 8.271) 10.447 5.663 ( 10.487 11.498 6.749) 16.963 5.977 ( -4.819 -0.096 0.790) 4.884 6.058 ( 1.836 4.624 2.818) 5.718 6.318 ( 3.537 -1.259 -11.674) 12.263 6.423 ( 1.788 0.728 1.598) 2.505 6.605 ( 4.399 -2.628 8.029) 9.525 6.968 ( 1.862 8.080 -0.669) 8.319 7.179 ( -3.328 -6.288 -2.611) 7.579 7.241 ( -5.768 -4.387 -7.703) 10.576 7.497 ( -1.924 -2.566 -7.255) 7.932 7.625 ( 8.479 0.370 4.619) 9.663 7.899 ( -9.608 -3.633 -3.657) 10.904 8.096 ( 2.951 0.215 2.855) 4.112 8.134 ( -2.016 1.028 2.789) 3.592 8.220 ( -1.651 0.110 1.719) 2.386 8.310 ( 1.620 -1.464 -2.124) 3.046 8.461 ( -10.133 -9.995 2.836) 14.513 10.010 ( 1.692 1.294 1.817) 2.800 10.981 ( -0.460 -0.819 -1.541) 1.805 12.722 ( 0.113 -0.918 0.050) 0.927 13.773 ( -3.020 7.678 -5.486) 9.907 14.021 ( 1.558 0.769 6.835) 7.052 14.043 ( 4.037 0.436 3.072) 5.092 14.489 ( 7.908 2.174 -3.954) 9.105 ======================= Grid point 221 (106/160) ======================= q-point: ( 0.56 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -2.948 -0.000 12.740) 13.076 2.805 ( -9.770 -0.000 -8.571) 12.997 2.927 ( -14.004 -0.000 6.926) 15.623 3.246 ( 1.769 0.000 1.132) 2.100 3.319 ( -5.308 -0.000 2.203) 5.747 3.335 ( -0.901 -0.000 2.217) 2.393 3.717 ( 11.558 0.000 5.685) 12.880 3.951 ( 4.098 0.000 -5.956) 7.230 4.172 ( 12.130 0.000 12.690) 17.555 4.209 ( -13.210 -0.000 -10.753) 17.033 4.745 ( 2.695 0.000 -9.912) 10.272 4.858 ( 7.771 0.000 -6.148) 9.909 4.931 ( -8.355 -0.000 -2.785) 8.807 5.567 ( 12.981 0.000 12.217) 17.825 5.611 ( 7.324 0.000 4.385) 8.537 5.647 ( -3.928 -0.000 7.833) 8.763 5.841 ( 12.698 0.000 -13.201) 18.317 6.145 ( 3.939 0.000 -6.061) 7.229 6.395 ( -1.312 -0.000 3.625) 3.855 6.407 ( 2.479 0.000 -10.482) 10.771 6.841 ( -5.234 -0.000 2.686) 5.883 7.035 ( -4.632 -0.000 -1.809) 4.973 7.045 ( -0.402 -0.000 1.914) 1.956 7.141 ( -1.438 -0.000 0.393) 1.490 7.264 ( -0.960 -0.000 -3.784) 3.904 7.617 ( -8.243 -0.000 -2.905) 8.740 7.993 ( 5.506 0.000 -0.838) 5.569 8.020 ( -2.939 -0.000 8.953) 9.423 8.084 ( 5.372 0.000 3.428) 6.373 8.236 ( -2.161 -0.000 -1.057) 2.406 8.261 ( -1.339 -0.000 2.996) 3.282 8.444 ( -5.538 -0.000 0.500) 5.561 10.013 ( -0.524 -0.000 -0.543) 0.755 10.984 ( 1.012 0.000 -0.897) 1.352 12.717 ( -0.792 -0.000 -0.717) 1.068 13.807 ( 3.661 0.000 10.822) 11.424 14.096 ( -3.929 -0.000 0.097) 3.930 14.219 ( -3.648 -0.000 -9.449) 10.128 14.339 ( 6.066 0.000 -1.883) 6.351 ======================= Grid point 223 (107/160) ======================= q-point: (-0.33 0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -7.102 7.218 -1.303) 10.210 2.570 ( -0.616 2.910 5.918) 6.624 2.776 ( -6.719 -2.346 1.327) 7.239 3.278 ( 2.769 1.749 4.135) 5.275 3.311 ( -1.197 0.071 -2.815) 3.060 3.428 ( 5.131 -3.857 1.009) 6.498 3.683 ( -13.936 5.418 -6.625) 16.354 4.015 ( 0.955 -12.973 -4.129) 13.648 4.162 ( 8.494 -1.983 5.593) 10.361 4.345 ( 0.614 -5.188 -10.896) 12.083 4.720 ( -2.955 -0.470 -2.408) 3.841 4.838 ( 4.227 2.242 7.765) 9.121 4.929 ( 4.390 1.646 -1.545) 4.937 5.590 ( -4.205 5.394 7.226) 9.950 5.664 ( 0.975 2.759 1.249) 3.182 5.823 ( 11.986 9.710 9.257) 17.990 6.004 ( 7.214 -1.046 -4.375) 8.502 6.183 ( 10.735 2.327 -9.576) 14.573 6.270 ( -1.904 12.827 -7.533) 14.996 6.431 ( 0.472 -3.478 -3.959) 5.291 6.597 ( -17.901 -2.500 1.645) 18.150 6.999 ( -0.941 -5.741 0.108) 5.819 7.114 ( -2.552 -6.286 2.409) 7.199 7.175 ( 1.945 4.413 0.099) 4.823 7.305 ( 3.473 -7.847 1.489) 8.710 7.513 ( -1.298 -1.617 -4.081) 4.577 7.991 ( -6.604 -2.316 0.572) 7.022 8.049 ( 2.934 1.909 -0.960) 3.629 8.154 ( -1.276 -2.887 2.572) 4.072 8.215 ( 2.116 2.291 2.122) 3.772 8.254 ( -1.672 -1.080 1.632) 2.574 8.369 ( -4.515 -2.079 1.758) 5.272 10.017 ( 0.924 0.706 1.186) 1.661 10.988 ( 0.408 0.161 -1.746) 1.800 12.706 ( -0.383 -0.276 -0.255) 0.536 13.904 ( 1.313 0.468 9.230) 9.335 14.044 ( -2.281 1.315 1.992) 3.301 14.104 ( -2.382 2.398 -8.402) 9.057 14.435 ( 7.583 1.296 -2.251) 8.016 ======================= Grid point 224 (108/160) ======================= q-point: (-0.22 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 2.942 -5.901 4.149) 7.791 2.624 ( 1.996 1.862 1.123) 2.952 2.708 ( -1.299 -0.272 -3.944) 4.161 3.224 ( -3.221 6.042 -3.790) 7.826 3.345 ( -3.560 -2.157 -1.340) 4.373 3.388 ( -3.341 -4.728 -1.824) 6.070 3.514 ( 4.193 7.523 -0.565) 8.631 3.999 ( -12.918 -14.792 -16.827) 25.862 4.343 ( 4.156 -2.475 -6.472) 8.080 4.420 ( 10.096 -3.198 10.671) 15.034 4.597 ( -0.636 4.236 -9.623) 10.534 4.928 ( 1.855 4.608 -3.008) 5.807 5.082 ( 6.636 -2.176 18.073) 19.376 5.438 ( -11.624 6.738 5.713) 14.600 5.544 ( -5.759 9.330 -4.359) 11.799 5.905 ( 5.679 10.449 7.146) 13.874 5.983 ( -3.962 2.369 5.452) 7.144 6.159 ( -1.113 4.520 1.442) 4.874 6.320 ( 3.380 1.133 -10.648) 11.229 6.415 ( 1.092 -2.789 -2.119) 3.669 6.513 ( 3.224 -6.682 6.619) 9.943 7.035 ( -1.978 -3.965 -3.566) 5.688 7.111 ( -0.612 3.523 0.618) 3.629 7.158 ( 2.204 -3.367 -4.075) 5.727 7.415 ( 2.213 -5.063 -5.181) 7.574 7.597 ( 7.643 -2.754 4.173) 9.133 7.834 ( -11.120 -2.734 -7.656) 13.775 8.090 ( 1.950 -0.441 1.332) 2.402 8.146 ( -3.138 0.138 3.923) 5.025 8.221 ( -2.336 -1.979 0.930) 3.199 8.255 ( -1.972 -3.560 0.323) 4.082 8.371 ( 1.957 0.998 2.286) 3.170 10.035 ( 1.134 1.159 2.158) 2.699 10.976 ( -0.412 0.091 -2.249) 2.288 12.708 ( 0.097 -0.557 0.110) 0.576 13.885 ( -3.419 3.777 -3.273) 6.055 14.033 ( -0.137 0.638 6.163) 6.198 14.056 ( 0.688 0.765 1.483) 1.805 14.528 ( 7.005 1.710 -3.167) 7.875 ======================= Grid point 226 (109/160) ======================= q-point: (-0.11 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -14.519 -4.152 -5.091) 15.936 2.691 ( 6.586 -11.856 5.720) 14.719 2.788 ( 3.972 -5.241 -5.892) 8.830 3.149 ( 4.256 3.130 -0.094) 5.284 3.295 ( -1.606 -6.075 -5.957) 8.658 3.477 ( 3.399 9.954 -3.312) 11.028 3.538 ( 10.239 -4.463 6.020) 12.689 3.821 ( -9.608 -8.413 -16.772) 21.081 4.208 ( -1.864 14.843 -15.858) 21.801 4.595 ( 3.759 -1.013 -6.994) 8.005 4.670 ( 7.239 5.001 13.286) 15.935 4.839 ( -4.910 1.242 -2.045) 5.462 5.165 ( -2.957 -0.142 -2.021) 3.585 5.197 ( -16.692 1.436 13.863) 21.745 5.441 ( -1.990 0.983 9.735) 9.985 5.850 ( -8.845 -0.727 -0.986) 8.930 6.003 ( 7.092 7.436 6.519) 12.169 6.089 ( -7.669 1.136 15.588) 17.410 6.250 ( -3.332 -0.777 -5.672) 6.624 6.477 ( 4.220 -2.870 -4.258) 6.647 6.738 ( 9.299 -1.249 4.547) 10.426 6.959 ( -0.908 4.818 -3.607) 6.087 7.125 ( 4.175 -1.405 -1.169) 4.558 7.252 ( 10.308 2.196 -3.845) 11.219 7.413 ( -1.764 -0.981 -9.083) 9.305 7.659 ( -9.311 -6.325 -6.671) 13.085 7.791 ( 8.574 -2.882 4.189) 9.969 8.063 ( -6.224 0.052 2.181) 6.595 8.126 ( -1.047 -1.984 -2.918) 3.681 8.211 ( -0.922 -0.280 2.780) 2.942 8.282 ( 0.337 -3.117 2.831) 4.224 8.389 ( 1.388 3.143 -0.247) 3.445 10.053 ( 0.886 0.715 2.066) 2.359 10.956 ( -0.643 -0.538 -2.149) 2.307 12.720 ( 0.502 -0.749 0.199) 0.924 13.753 ( -3.484 5.256 -5.856) 8.605 14.069 ( 0.020 -0.756 7.259) 7.299 14.093 ( 0.317 -2.245 4.175) 4.751 14.587 ( 4.554 1.779 -4.449) 6.610 ======================= Grid point 233 (110/160) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -1.867 -0.000 -1.337) 2.296 2.645 ( 2.748 0.000 0.318) 2.766 2.711 ( -1.257 -0.000 -7.298) 7.405 3.279 ( -4.118 -0.000 0.023) 4.118 3.305 ( 2.344 0.000 4.869) 5.404 3.355 ( -13.428 -0.000 -7.042) 15.162 3.731 ( -11.350 -0.000 -16.957) 20.405 3.734 ( 13.258 0.000 7.726) 15.345 4.235 ( 0.044 0.000 -12.050) 12.050 4.426 ( 12.672 0.000 14.030) 18.906 4.650 ( -2.226 -0.000 -10.827) 11.054 4.978 ( 2.470 0.000 -3.885) 4.603 5.060 ( 8.895 0.000 21.755) 23.503 5.522 ( -13.164 -0.000 7.433) 15.117 5.649 ( -3.306 -0.000 -6.335) 7.146 6.011 ( -1.484 -0.000 -6.491) 6.658 6.049 ( -5.485 -0.000 3.405) 6.455 6.188 ( -12.835 -0.000 7.332) 14.782 6.323 ( 2.336 0.000 3.238) 3.992 6.383 ( 3.817 0.000 -16.769) 17.197 6.409 ( 7.929 0.000 8.141) 11.365 7.026 ( 8.980 0.000 -3.252) 9.551 7.079 ( -0.365 -0.000 6.095) 6.106 7.175 ( -0.571 -0.000 -5.783) 5.811 7.356 ( 3.725 0.000 -3.469) 5.090 7.564 ( 7.773 0.000 5.091) 9.291 7.807 ( -11.425 -0.000 -8.988) 14.537 8.089 ( 0.494 0.000 -0.358) 0.610 8.139 ( 0.045 0.000 5.411) 5.411 8.171 ( -5.244 -0.000 -0.179) 5.247 8.247 ( -1.962 -0.000 0.743) 2.098 8.391 ( 4.292 0.000 1.975) 4.724 10.047 ( 0.930 0.000 2.324) 2.503 10.978 ( -0.410 -0.000 -2.572) 2.605 12.702 ( 0.091 0.000 0.130) 0.158 13.918 ( -3.207 -0.000 -0.223) 3.214 14.040 ( -1.130 -0.000 4.681) 4.816 14.065 ( -0.560 -0.000 -0.082) 0.566 14.545 ( 6.627 0.000 -2.897) 7.233 ======================= Grid point 234 (111/160) ======================= q-point: (-0.22 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -16.137 6.155 -10.475) 20.199 2.529 ( 11.194 -4.555 5.341) 13.213 2.652 ( -7.372 -9.141 -9.569) 15.148 3.175 ( -6.465 -2.139 1.174) 6.910 3.214 ( 3.311 0.703 -6.625) 7.440 3.424 ( 6.187 -3.971 0.495) 7.368 3.570 ( 2.138 -1.602 -7.558) 8.017 3.913 ( 9.246 15.264 2.532) 18.025 4.273 ( 1.806 -10.263 -4.253) 11.255 4.543 ( -0.734 0.130 -10.116) 10.143 4.685 ( 9.083 -0.695 13.234) 16.066 4.941 ( -2.621 5.696 -5.283) 8.199 5.240 ( -5.049 4.980 11.050) 13.130 5.267 ( -12.882 4.400 4.282) 14.270 5.456 ( -9.527 0.675 -5.459) 11.001 5.792 ( -14.497 -3.592 3.557) 15.353 5.972 ( -5.854 -6.913 -2.331) 9.353 6.112 ( -6.284 0.863 3.929) 7.461 6.316 ( -2.912 4.775 7.265) 9.168 6.452 ( 8.154 0.804 0.984) 8.253 6.685 ( 14.027 -3.461 7.483) 16.271 7.065 ( 0.162 4.522 -2.784) 5.313 7.143 ( 6.421 1.969 -1.142) 6.813 7.265 ( 14.663 -0.345 -5.518) 15.671 7.386 ( 1.948 -1.778 -6.257) 6.790 7.564 ( -11.417 -2.602 -10.915) 16.008 7.740 ( 7.976 -1.829 5.743) 9.997 8.065 ( -6.515 0.094 2.924) 7.142 8.086 ( -2.035 -1.533 -3.851) 4.617 8.210 ( 2.724 -2.829 4.294) 5.819 8.215 ( -1.714 0.321 2.889) 3.375 8.454 ( 3.842 2.210 -1.806) 4.786 10.066 ( 0.057 0.427 2.316) 2.356 10.952 ( -0.889 -0.016 -2.566) 2.715 12.710 ( 0.511 -0.280 0.293) 0.652 13.823 ( -4.315 1.933 -6.231) 7.822 14.057 ( -1.140 -0.317 6.927) 7.027 14.063 ( -2.049 -0.873 4.734) 5.232 14.613 ( 4.326 0.778 -4.335) 6.173 ======================= Grid point 235 (112/160) ======================= q-point: (-0.11 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -22.259 -5.011 -0.658) 22.825 2.485 ( -20.565 -18.510 -8.325) 28.894 2.843 ( 16.217 -1.681 6.240) 17.458 3.132 ( -3.053 -2.665 -2.739) 4.891 3.345 ( 16.349 1.795 -6.246) 17.593 3.552 ( 6.784 -5.777 -6.898) 11.268 3.703 ( 6.274 0.716 0.176) 6.317 3.861 ( 8.543 14.570 1.638) 16.969 4.255 ( -0.046 5.575 -4.011) 6.868 4.531 ( -7.264 2.342 -7.621) 10.786 4.713 ( -4.116 7.999 -3.732) 9.739 4.867 ( 3.473 -2.781 6.600) 7.959 5.014 ( -16.092 -0.792 6.697) 17.448 5.070 ( -5.990 2.240 0.154) 6.397 5.435 ( -4.143 -1.404 2.704) 5.143 5.651 ( -9.635 -6.506 0.743) 11.650 5.930 ( -6.068 -5.214 1.850) 8.212 6.053 ( -6.879 -7.397 1.514) 10.214 6.265 ( -1.101 6.926 12.643) 14.458 6.570 ( 7.524 4.875 3.883) 9.770 6.836 ( -0.628 3.194 -5.344) 6.257 7.073 ( 6.466 1.439 1.945) 6.904 7.271 ( 12.579 3.333 -3.666) 13.520 7.299 ( -3.388 -0.882 -7.559) 8.331 7.458 ( -1.260 -7.131 -5.972) 9.387 7.486 ( 12.505 5.672 0.211) 13.732 7.876 ( 1.498 -0.209 2.867) 3.242 7.956 ( -6.621 -0.874 1.669) 6.884 8.069 ( -0.998 -3.341 -2.009) 4.024 8.209 ( -0.488 -1.500 3.397) 3.745 8.346 ( 7.586 -1.353 5.761) 9.621 8.444 ( 1.544 4.538 -5.660) 7.417 10.067 ( -0.752 -0.069 1.453) 1.637 10.929 ( -0.555 -0.548 -1.684) 1.856 12.726 ( 0.761 -0.485 0.192) 0.923 13.692 ( -4.641 2.634 -6.089) 8.096 14.055 ( -3.923 -3.441 4.896) 7.155 14.087 ( -1.368 -1.633 6.801) 7.127 14.620 ( 1.108 1.260 -6.353) 6.571 ======================= Grid point 244 (113/160) ======================= q-point: (-0.22 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -24.455 -0.000 -5.678) 25.105 2.170 ( -27.481 -0.000 -9.604) 29.111 2.832 ( 20.750 0.000 10.923) 23.450 3.113 ( -0.322 -0.000 -2.052) 2.077 3.374 ( 18.904 0.000 -10.419) 21.585 3.475 ( 3.255 0.000 -1.500) 3.583 3.684 ( 9.504 0.000 3.633) 10.175 4.107 ( -5.789 -0.000 -2.969) 6.506 4.295 ( 12.688 0.000 7.759) 14.872 4.427 ( -4.605 -0.000 -8.387) 9.569 4.822 ( 0.622 0.000 -1.137) 1.296 4.931 ( -1.166 -0.000 3.034) 3.251 5.036 ( -9.768 -0.000 0.501) 9.780 5.082 ( -20.043 -0.000 -11.841) 23.280 5.365 ( -0.151 -0.000 4.006) 4.009 5.554 ( -13.292 -0.000 2.696) 13.563 5.880 ( -3.917 -0.000 7.529) 8.487 5.983 ( -7.758 -0.000 0.412) 7.769 6.340 ( -4.339 -0.000 9.653) 10.583 6.638 ( 9.179 0.000 9.905) 13.504 6.865 ( 0.821 0.000 -5.855) 5.912 7.085 ( 5.942 0.000 -0.259) 5.948 7.291 ( 5.407 0.000 -0.684) 5.451 7.305 ( -2.393 -0.000 -6.240) 6.684 7.363 ( 4.824 0.000 -10.636) 11.679 7.570 ( 15.219 0.000 -0.392) 15.224 7.869 ( 4.821 0.000 4.557) 6.633 7.947 ( -7.445 -0.000 1.373) 7.570 8.031 ( -3.222 -0.000 -0.495) 3.259 8.189 ( -1.385 -0.000 2.307) 2.691 8.329 ( 8.870 0.000 6.451) 10.968 8.490 ( 1.733 0.000 -6.879) 7.094 10.067 ( -1.275 -0.000 1.585) 2.034 10.925 ( -0.757 -0.000 -1.808) 1.960 12.721 ( 0.785 0.000 0.261) 0.828 13.718 ( -5.185 -0.000 -6.873) 8.610 14.021 ( -5.258 -0.000 5.302) 7.467 14.072 ( -1.914 -0.000 7.124) 7.377 14.632 ( 1.104 0.000 -6.701) 6.791 ======================= Grid point 245 (114/160) ======================= q-point: (-0.11 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -22.813 -3.977 9.917) 25.192 1.860 ( -26.698 -19.178 0.673) 32.879 3.054 ( -4.880 3.122 -2.081) 6.156 3.232 ( 17.587 1.443 12.818) 21.810 3.407 ( -20.302 -2.490 19.160) 28.026 3.690 ( 26.227 1.262 -12.595) 29.122 3.818 ( 12.133 2.029 -14.622) 19.108 4.089 ( 7.217 1.547 4.646) 8.722 4.235 ( -2.344 11.467 -7.671) 13.994 4.534 ( 4.058 -3.565 -3.732) 6.566 4.655 ( -10.790 -3.046 -14.316) 18.184 4.773 ( -7.891 0.047 1.068) 7.963 4.882 ( 1.337 9.836 -0.761) 9.955 5.028 ( -3.410 -1.296 2.404) 4.368 5.332 ( -4.627 1.065 -2.711) 5.467 5.465 ( -1.990 -12.151 1.624) 12.420 5.866 ( -4.873 0.693 10.290) 11.407 5.912 ( -6.007 -2.875 8.001) 10.410 6.299 ( -5.240 -0.964 8.851) 10.330 6.674 ( -9.331 0.697 -18.868) 21.061 6.820 ( 8.926 6.080 7.888) 13.374 7.092 ( -0.261 0.355 -6.448) 6.463 7.233 ( -5.556 -2.393 -4.888) 7.778 7.472 ( 10.777 -0.316 3.030) 11.200 7.486 ( 10.465 -0.804 -3.663) 11.117 7.736 ( 8.241 6.514 5.070) 11.664 7.816 ( -6.518 1.013 3.011) 7.251 7.959 ( 2.187 0.795 2.250) 3.237 7.995 ( -3.326 -3.286 1.742) 4.990 8.210 ( 0.118 -1.367 4.462) 4.669 8.435 ( -1.077 1.247 -10.439) 10.568 8.582 ( 17.637 0.529 7.047) 19.000 10.047 ( -1.916 -0.316 0.599) 2.032 10.917 ( 0.422 -0.398 0.033) 0.581 12.736 ( 0.838 -0.191 0.084) 0.863 13.595 ( -5.032 0.616 -5.392) 7.401 13.962 ( -6.342 -2.961 3.969) 8.046 14.069 ( -3.475 -1.235 6.083) 7.113 14.571 ( -3.176 0.421 -10.063) 10.561 ======================= Grid point 254 (115/160) ======================= q-point: (-0.11 -0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -20.099 -0.000 19.998) 28.353 1.458 ( -13.150 -0.000 29.323) 32.137 2.782 ( -34.214 -0.000 24.271) 41.949 3.208 ( -7.761 -0.000 3.002) 8.322 3.552 ( 10.270 0.000 8.091) 13.074 3.980 ( 14.903 0.000 -16.481) 22.220 4.080 ( 20.444 0.000 -6.863) 21.565 4.203 ( 3.689 0.000 1.757) 4.086 4.247 ( -12.973 -0.000 -4.705) 13.800 4.321 ( 5.343 0.000 -10.563) 11.837 4.571 ( 5.379 0.000 -19.195) 19.935 4.660 ( -2.048 -0.000 -3.366) 3.940 4.842 ( -12.530 -0.000 -1.875) 12.670 5.102 ( 10.293 0.000 0.324) 10.298 5.345 ( 1.560 0.000 -2.824) 3.226 5.451 ( 9.387 0.000 9.184) 13.132 5.826 ( -8.388 -0.000 8.043) 11.621 5.886 ( -3.707 -0.000 14.326) 14.798 6.204 ( -8.060 -0.000 4.377) 9.171 6.416 ( -5.580 -0.000 -24.332) 24.964 7.016 ( -5.874 -0.000 -4.734) 7.544 7.067 ( 0.752 0.000 -3.497) 3.577 7.070 ( 1.727 0.000 5.644) 5.902 7.505 ( -1.374 -0.000 -7.736) 7.857 7.563 ( -4.639 -0.000 2.272) 5.165 7.818 ( 5.560 0.000 -0.640) 5.597 7.914 ( -4.172 -0.000 3.131) 5.216 8.004 ( -0.266 -0.000 2.072) 2.089 8.011 ( 13.060 0.000 13.329) 18.660 8.213 ( -4.790 -0.000 2.022) 5.199 8.367 ( 3.009 0.000 -5.486) 6.257 8.977 ( 23.807 0.000 8.006) 25.117 10.015 ( -1.818 -0.000 0.119) 1.822 10.950 ( 3.393 0.000 2.971) 4.510 12.749 ( 0.709 0.000 -0.030) 0.709 13.502 ( -3.225 -0.000 -3.426) 4.705 13.851 ( -7.181 -0.000 2.432) 7.582 14.019 ( -5.021 -0.000 3.948) 6.387 14.400 ( -10.622 -0.000 -13.758) 17.381 ======================= Grid point 255 (116/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -7.383 -0.000 27.424) 28.400 2.389 ( 11.846 0.000 33.496) 35.529 2.911 ( 5.425 0.000 -9.558) 10.990 3.150 ( -10.462 -0.000 -28.070) 29.956 3.399 ( -6.413 -0.000 -1.983) 6.712 3.578 ( 9.716 0.000 38.072) 39.293 3.814 ( -5.624 -0.000 -8.829) 10.468 4.094 ( -2.277 -0.000 -0.807) 2.416 4.157 ( -0.240 -0.000 -2.599) 2.610 4.344 ( -2.014 -0.000 4.549) 4.975 4.407 ( -14.334 -0.000 6.457) 15.721 4.705 ( 13.784 0.000 -4.735) 14.574 4.908 ( 3.489 0.000 -41.282) 41.429 5.326 ( 17.211 0.000 2.453) 17.385 5.384 ( 1.537 0.000 0.504) 1.618 5.637 ( 2.942 0.000 -1.730) 3.412 5.735 ( -1.144 -0.000 2.441) 2.695 5.744 ( -7.805 -0.000 -3.438) 8.529 6.199 ( 0.015 0.000 5.604) 5.604 6.405 ( 1.169 0.000 4.293) 4.449 6.579 ( 3.582 0.000 -0.867) 3.685 6.912 ( -8.935 -0.000 0.350) 8.942 7.147 ( 0.113 0.000 0.246) 0.271 7.270 ( -2.800 -0.000 0.191) 2.807 7.554 ( 2.188 0.000 -1.354) 2.573 7.840 ( -1.818 -0.000 -2.619) 3.188 7.888 ( -8.009 -0.000 4.075) 8.986 7.955 ( 4.924 0.000 -0.616) 4.962 8.004 ( 2.938 0.000 -1.774) 3.432 8.231 ( 0.329 0.000 -0.274) 0.428 9.044 ( 0.208 0.000 9.098) 9.100 9.446 ( 0.991 0.000 -4.676) 4.780 9.966 ( -0.652 -0.000 -0.185) 0.678 11.188 ( 0.654 0.000 0.289) 0.716 12.759 ( 0.027 0.000 -0.055) 0.061 13.523 ( 2.524 0.000 0.226) 2.534 13.638 ( -2.266 -0.000 -0.419) 2.305 13.843 ( -1.206 -0.000 -0.314) 1.246 13.955 ( 0.061 0.000 0.173) 0.184 ======================= Grid point 256 (117/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -0.764 1.051 23.241) 23.277 2.689 ( 1.216 -2.997 -9.203) 9.755 2.897 ( 9.416 8.818 5.466) 14.011 3.014 ( 4.529 -4.391 -3.988) 7.463 3.334 ( -3.628 1.502 7.970) 8.885 3.585 ( -14.080 -4.098 -16.561) 22.120 3.953 ( 4.758 -4.540 16.807) 18.048 4.016 ( 0.028 0.399 -1.191) 1.257 4.154 ( -14.944 0.187 6.970) 16.491 4.189 ( -3.805 -6.380 1.616) 7.602 4.434 ( 7.442 -2.757 20.551) 22.030 4.872 ( 13.864 -1.920 -34.914) 37.614 4.939 ( 13.447 -1.462 -6.033) 14.810 5.204 ( -11.350 10.614 -17.499) 23.403 5.380 ( -1.517 1.522 -3.254) 3.900 5.542 ( -8.606 -5.716 -2.604) 10.655 5.772 ( 13.676 10.599 6.738) 18.568 5.916 ( 9.991 -1.099 -2.611) 10.385 6.240 ( 1.582 -0.359 1.761) 2.394 6.425 ( 2.157 2.787 0.614) 3.577 6.594 ( 0.725 -3.271 -2.438) 4.144 6.869 ( -2.426 1.828 12.213) 12.585 7.087 ( -5.704 -6.108 -0.038) 8.358 7.394 ( 8.479 -4.707 3.364) 10.265 7.526 ( -4.457 -0.585 -3.524) 5.712 7.725 ( -4.777 6.923 2.329) 8.727 7.867 ( -2.379 -6.064 2.465) 6.964 8.021 ( 3.168 -0.545 0.417) 3.241 8.067 ( 4.047 -1.392 -3.231) 5.363 8.224 ( 0.097 0.952 -0.674) 1.171 8.937 ( -12.750 6.621 3.369) 14.757 9.320 ( -10.060 5.406 -2.897) 11.782 9.960 ( -0.043 0.056 0.987) 0.990 11.141 ( -3.683 2.794 -0.485) 4.648 12.755 ( -0.209 0.323 -0.063) 0.390 13.515 ( -2.887 -4.527 -2.657) 5.991 13.731 ( 8.481 -2.640 2.061) 9.118 13.881 ( 3.687 -1.955 2.228) 4.730 14.039 ( 8.762 -1.329 -1.124) 8.933 ======================= Grid point 257 (118/160) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 3.239 -2.499 -12.322) 12.984 2.619 ( 2.107 -2.381 3.900) 5.032 3.062 ( 6.649 -3.818 -13.215) 15.279 3.121 ( -3.214 5.360 15.840) 17.028 3.321 ( 4.370 9.363 18.916) 21.554 3.372 ( -8.773 -7.594 -7.716) 13.935 3.826 ( -13.376 4.456 1.989) 14.238 3.989 ( -4.741 6.709 2.053) 8.467 4.119 ( 1.112 -8.985 -8.392) 12.345 4.228 ( -2.464 -8.644 2.441) 9.314 4.781 ( -3.787 2.212 -3.355) 5.522 4.813 ( 4.521 3.550 11.883) 13.200 4.967 ( 12.163 -5.192 -27.042) 30.103 5.188 ( 12.181 -4.611 6.607) 14.604 5.300 ( 1.681 3.813 -3.471) 5.424 5.473 ( -6.720 -9.241 -4.968) 12.460 5.900 ( 10.203 7.202 -3.333) 12.926 5.966 ( 5.796 6.899 -4.086) 9.894 6.238 ( 4.140 6.702 -2.848) 8.377 6.542 ( 6.731 -4.511 2.408) 8.453 6.701 ( 3.982 -8.553 3.371) 10.018 6.814 ( -8.084 4.598 13.909) 16.732 7.112 ( -1.894 -8.471 0.010) 8.680 7.380 ( -9.505 0.973 -4.933) 10.753 7.570 ( 3.658 -3.136 2.319) 5.347 7.617 ( -1.437 7.463 4.164) 8.666 7.941 ( 2.101 -5.648 4.068) 7.271 8.048 ( 2.046 2.908 -3.595) 5.057 8.115 ( 0.217 -3.378 0.290) 3.398 8.225 ( 1.350 0.003 -1.364) 1.919 8.602 ( -17.454 8.355 -2.349) 19.493 9.018 ( -16.647 8.397 -1.122) 18.679 9.981 ( 1.551 -0.426 1.752) 2.379 11.047 ( -3.365 2.680 -1.467) 4.545 12.747 ( -0.208 0.529 -0.017) 0.568 13.517 ( -1.235 -5.925 -2.780) 6.660 13.918 ( 8.824 -3.213 1.624) 9.531 14.009 ( 6.046 -2.391 6.328) 9.073 14.207 ( 10.303 -2.040 -3.203) 10.981 ======================= Grid point 258 (119/160) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 7.860 -12.939 -14.815) 21.182 2.729 ( 4.807 4.124 7.938) 10.155 2.954 ( -7.872 -3.024 -7.971) 11.603 3.131 ( -0.014 -3.042 -5.047) 5.893 3.265 ( -7.578 -0.585 -0.802) 7.643 3.344 ( -7.062 13.109 9.402) 17.610 3.625 ( -3.163 6.681 0.846) 7.440 3.835 ( 2.373 8.487 4.640) 9.959 4.161 ( -4.684 -0.665 -9.086) 10.244 4.322 ( 3.213 -7.238 4.388) 9.054 4.629 ( -4.514 0.837 0.998) 4.698 4.813 ( 0.210 1.512 -1.792) 2.354 5.070 ( 6.830 -6.312 -15.703) 18.250 5.338 ( 2.663 -0.110 -3.392) 4.314 5.451 ( 1.214 -6.866 -6.374) 9.447 5.657 ( 15.651 -12.891 23.246) 30.846 5.924 ( -0.215 0.890 -4.148) 4.247 6.019 ( 13.886 8.396 -4.722) 16.900 6.269 ( 7.046 5.062 0.185) 8.678 6.597 ( -6.617 -4.783 -1.924) 8.388 6.703 ( -6.794 0.650 11.233) 13.144 6.925 ( 9.936 -1.634 7.458) 12.531 7.090 ( -6.308 -0.211 -9.037) 11.023 7.221 ( -4.622 -1.714 1.723) 5.222 7.450 ( -9.240 5.358 -0.166) 10.683 7.721 ( 7.812 -0.500 5.101) 9.344 7.917 ( -6.544 6.563 -4.133) 10.148 8.091 ( 3.399 -1.522 -1.273) 3.935 8.137 ( -1.142 -3.010 1.728) 3.654 8.229 ( -2.072 -1.554 -3.801) 4.600 8.302 ( -7.030 3.317 -0.869) 7.822 8.668 ( -14.759 7.033 0.179) 16.350 10.031 ( 2.411 -0.736 1.929) 3.174 10.976 ( -1.676 1.602 -1.908) 3.002 12.740 ( 0.009 0.547 0.050) 0.550 13.548 ( -0.182 -5.321 -2.299) 5.800 14.078 ( 6.856 -1.594 1.350) 7.167 14.159 ( 4.392 -1.482 8.218) 9.435 14.355 ( 7.648 -2.170 -4.567) 9.169 ======================= Grid point 259 (120/160) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -0.722 9.153 0.517) 9.196 2.749 ( 0.339 1.304 -1.130) 1.758 2.947 ( 2.934 -8.450 -8.673) 12.460 2.984 ( -4.959 3.734 -3.729) 7.241 3.191 ( -0.525 -5.789 -0.548) 5.838 3.304 ( 3.214 -5.125 1.443) 6.219 3.506 ( -3.004 1.929 -6.040) 7.016 3.821 ( -14.296 14.800 -9.548) 22.684 3.970 ( 10.297 6.682 11.669) 16.936 4.428 ( 5.386 0.413 -2.244) 5.850 4.700 ( -0.877 -9.543 5.016) 10.816 4.843 ( 0.432 -3.987 -0.958) 4.123 5.118 ( -0.631 -4.961 -3.597) 6.160 5.306 ( -3.114 -0.862 -1.215) 3.452 5.532 ( -0.395 -1.886 1.899) 2.706 5.870 ( -1.470 -0.061 1.509) 2.107 6.024 ( 5.725 -1.615 8.848) 10.662 6.141 ( 10.612 3.433 -7.328) 13.346 6.385 ( 1.340 0.282 0.236) 1.390 6.463 ( -5.166 -0.948 9.858) 11.170 6.701 ( -0.528 -3.991 3.551) 5.368 6.919 ( -0.854 2.200 -9.139) 9.439 7.112 ( 1.942 -0.138 -1.557) 2.493 7.162 ( -2.267 1.209 4.449) 5.138 7.332 ( 0.867 -0.336 -0.511) 1.061 7.679 ( -8.008 6.671 -5.155) 11.628 7.886 ( 7.152 -0.185 2.726) 7.656 8.039 ( -5.053 0.290 -6.078) 7.909 8.096 ( -4.265 0.012 -0.248) 4.273 8.234 ( 0.797 -3.395 0.676) 3.552 8.274 ( 0.706 1.072 1.402) 1.901 8.470 ( -4.723 2.172 1.691) 5.467 10.080 ( 1.514 -0.315 1.358) 2.058 10.939 ( -0.527 0.902 -1.424) 1.766 12.737 ( 0.213 0.462 0.052) 0.511 13.575 ( -0.483 -3.333 -1.811) 3.824 14.176 ( 3.296 0.394 1.164) 3.518 14.251 ( 1.004 0.526 7.943) 8.023 14.441 ( 3.796 -1.926 -5.736) 7.143 ======================= Grid point 260 (121/160) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -2.383 19.840 12.185) 23.405 2.695 ( -2.594 9.648 1.665) 10.128 2.921 ( 4.282 -0.698 2.384) 4.951 2.979 ( -3.360 -5.490 -12.658) 14.200 3.274 ( 0.058 -1.782 -6.242) 6.492 3.409 ( 2.451 -0.071 -5.025) 5.591 3.445 ( 7.195 -3.465 -0.439) 7.998 3.717 ( 9.415 -14.846 -1.200) 17.620 4.084 ( 2.506 0.281 1.340) 2.856 4.482 ( 1.644 -2.361 -4.876) 5.661 4.674 ( -8.865 3.264 5.057) 10.715 4.839 ( -2.076 -0.376 -2.440) 3.226 5.093 ( -4.463 4.421 0.099) 6.283 5.272 ( -1.157 1.589 4.546) 4.953 5.434 ( -14.382 -1.163 8.097) 16.546 5.850 ( -3.560 2.192 4.594) 6.211 6.026 ( -7.551 0.252 2.636) 8.002 6.143 ( -4.193 -0.118 -3.173) 5.259 6.378 ( 11.002 1.522 -3.000) 11.505 6.611 ( 4.368 -2.735 17.200) 17.955 6.664 ( -9.115 2.895 -6.850) 11.764 6.907 ( 4.916 -1.981 -12.498) 13.575 7.127 ( 6.524 -3.166 -2.788) 7.769 7.256 ( -0.083 -5.633 3.678) 6.728 7.333 ( 4.672 2.735 -6.763) 8.663 7.600 ( 4.242 -0.085 3.020) 5.208 7.914 ( -4.566 0.327 1.319) 4.764 7.955 ( -1.234 -0.661 -0.660) 1.548 8.095 ( 3.505 1.314 0.024) 3.743 8.258 ( -1.702 -3.407 -0.915) 3.917 8.284 ( 2.200 2.434 -0.143) 3.284 8.465 ( 3.349 -1.069 2.309) 4.206 10.092 ( -0.515 0.580 0.240) 0.812 10.926 ( 0.316 0.480 -0.253) 0.628 12.738 ( 0.309 0.307 -0.021) 0.436 13.570 ( -1.449 -0.666 -1.341) 2.084 14.179 ( -1.871 2.545 0.814) 3.262 14.271 ( -1.761 1.983 6.713) 7.218 14.451 ( -0.189 -0.983 -7.244) 7.313 ======================= Grid point 261 (122/160) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -12.971 20.450 10.676) 26.465 2.462 ( -1.995 26.038 24.180) 35.590 2.874 ( -4.059 -6.189 -6.285) 9.709 3.270 ( 19.073 -11.657 0.984) 22.375 3.344 ( 7.675 -10.210 -9.402) 15.860 3.476 ( 9.403 -1.726 -11.744) 15.143 3.630 ( 9.576 -5.497 -0.078) 11.042 3.943 ( -3.152 1.144 5.056) 6.067 4.145 ( 2.643 -13.050 -9.696) 16.471 4.380 ( -13.781 -7.555 -3.798) 16.168 4.579 ( 0.503 5.878 8.886) 10.667 4.780 ( -2.085 2.458 0.669) 3.292 4.881 ( -6.695 13.771 -2.781) 15.562 5.229 ( -12.477 0.772 13.343) 18.284 5.307 ( 0.903 1.169 0.778) 1.670 5.749 ( -5.420 5.300 7.378) 10.578 5.969 ( -5.311 -6.333 3.160) 8.849 6.038 ( -8.991 -0.635 -3.772) 9.771 6.344 ( -12.793 6.803 -13.230) 19.620 6.503 ( 5.630 5.435 3.160) 8.440 6.812 ( 4.277 -3.146 8.958) 10.413 6.980 ( 7.467 -3.620 -3.811) 9.132 7.110 ( -4.327 -1.334 -10.947) 11.846 7.315 ( 5.799 2.414 -5.705) 8.485 7.470 ( 8.123 -7.391 -1.054) 11.033 7.791 ( 6.805 -5.681 6.675) 11.096 7.795 ( -5.400 -1.647 -1.006) 5.734 8.018 ( 2.390 0.608 5.120) 5.683 8.104 ( 0.151 1.303 2.635) 2.944 8.245 ( -1.107 -0.677 -1.808) 2.225 8.295 ( 3.373 2.481 -1.784) 4.552 8.646 ( 13.903 -4.988 2.727) 15.021 10.059 ( -2.076 1.025 -0.728) 2.427 10.941 ( 1.610 -0.190 1.297) 2.076 12.741 ( 0.365 0.075 -0.094) 0.385 13.531 ( -1.769 1.780 -0.658) 2.595 14.087 ( -5.674 4.130 0.507) 7.036 14.225 ( -4.916 2.719 4.572) 7.243 14.372 ( -4.526 0.770 -8.705) 9.841 ======================= Grid point 262 (123/160) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -10.099 13.438 22.263) 27.897 2.408 ( 0.491 20.298 34.591) 40.110 2.853 ( -1.324 -4.184 -4.617) 6.370 3.401 ( -1.435 -2.849 -2.441) 4.017 3.498 ( 5.974 -0.671 -18.204) 19.171 3.719 ( -1.285 -8.675 -2.002) 8.995 3.845 ( 1.816 -4.043 10.278) 11.193 3.963 ( 20.843 -7.914 -7.341) 23.473 4.031 ( -7.109 -5.260 -13.099) 15.804 4.315 ( 0.872 6.803 -3.640) 7.765 4.498 ( -8.003 7.240 10.524) 15.074 4.714 ( 1.761 7.359 -1.145) 7.653 4.850 ( -4.383 -10.703 6.304) 13.172 5.141 ( -1.684 -3.950 9.845) 10.740 5.356 ( 6.884 7.071 2.820) 10.264 5.693 ( -8.433 1.423 -1.381) 8.663 5.736 ( -6.160 5.366 -17.706) 19.499 5.955 ( -7.865 -7.241 2.245) 10.923 6.147 ( -4.192 -0.014 5.097) 6.599 6.491 ( -2.602 6.737 5.468) 9.059 6.803 ( -7.487 2.071 -5.272) 9.388 7.015 ( 2.411 -1.720 -4.218) 5.154 7.153 ( 3.232 -2.132 -2.655) 4.695 7.348 ( 6.957 2.669 -3.702) 8.320 7.586 ( -1.827 -0.804 -0.239) 2.010 7.729 ( 1.115 -3.738 -4.750) 6.147 7.950 ( -1.389 -4.456 5.587) 7.280 7.991 ( -3.640 -0.874 -0.303) 3.755 8.133 ( -1.308 1.447 -0.242) 1.966 8.208 ( 1.638 5.217 -0.977) 5.555 8.468 ( 15.189 -5.646 9.411) 18.739 8.996 ( 18.248 -7.530 1.781) 19.821 10.011 ( -2.042 0.518 -1.032) 2.345 11.003 ( 3.821 -1.540 2.640) 4.893 12.748 ( 0.396 -0.157 -0.097) 0.437 13.486 ( -0.399 3.082 0.278) 3.120 13.936 ( -7.268 4.968 -0.171) 8.806 14.110 ( -7.587 2.969 0.792) 8.186 14.202 ( -8.707 2.257 -6.928) 11.353 ======================= Grid point 263 (124/160) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 1.638 0.079 33.707) 33.747 2.406 ( -5.738 10.466 31.721) 33.893 2.872 ( 3.550 -0.937 -4.438) 5.760 3.361 ( -2.348 4.112 20.037) 20.589 3.417 ( -5.222 0.832 -14.763) 15.682 3.603 ( -11.733 -4.723 -20.700) 24.258 3.846 ( 3.217 1.178 0.090) 3.427 4.059 ( 1.179 -7.682 -3.460) 8.507 4.219 ( 1.262 5.530 -2.322) 6.129 4.348 ( 13.464 -0.074 -8.567) 15.958 4.400 ( -1.890 4.363 6.092) 7.728 4.740 ( -15.590 -2.786 9.965) 18.712 4.904 ( 19.973 -4.455 9.165) 22.422 5.206 ( -7.831 5.358 -35.276) 36.530 5.311 ( 3.502 -4.138 3.798) 6.619 5.506 ( 10.234 6.369 -1.097) 12.104 5.801 ( 0.023 -5.942 6.048) 8.479 5.856 ( -10.825 -4.386 -0.436) 11.688 6.171 ( -0.682 -1.308 8.082) 8.216 6.395 ( -3.954 3.213 4.786) 6.990 6.614 ( -4.811 4.218 -5.649) 8.535 7.064 ( -3.131 -3.176 -6.077) 7.538 7.098 ( 0.303 2.611 -0.476) 2.671 7.417 ( -6.071 0.894 0.770) 6.184 7.495 ( 4.185 4.571 -0.766) 6.244 7.815 ( 3.887 -6.792 -5.813) 9.748 7.915 ( -2.659 -0.401 0.241) 2.700 7.982 ( -0.907 1.349 1.776) 2.408 8.037 ( -4.180 4.982 -0.202) 6.506 8.214 ( 1.318 -0.103 0.093) 1.326 8.842 ( 12.904 -6.144 11.690) 18.464 9.325 ( 12.702 -5.488 -2.242) 14.018 9.980 ( -0.979 -0.169 -0.845) 1.304 11.114 ( 5.026 -2.499 2.155) 6.012 12.755 ( 0.287 -0.209 -0.062) 0.361 13.477 ( 2.529 2.616 1.058) 3.790 13.765 ( -7.456 4.554 -1.206) 8.819 13.939 ( -7.880 2.311 -2.980) 8.736 14.027 ( -7.186 1.333 -0.444) 7.322 ======================= Grid point 265 (125/160) ======================= q-point: ( 0.11 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -0.653 -0.000 -29.045) 29.053 2.581 ( 3.761 0.000 18.646) 19.022 2.990 ( 2.997 0.000 -27.269) 27.433 3.244 ( -12.308 -0.000 -3.053) 12.681 3.244 ( 4.932 0.000 16.203) 16.937 3.449 ( 8.744 0.000 25.912) 27.347 3.919 ( -13.392 -0.000 6.676) 14.963 3.972 ( -3.670 -0.000 0.636) 3.724 4.036 ( 2.717 0.000 -0.804) 2.834 4.145 ( -1.910 -0.000 -1.306) 2.313 4.794 ( 17.273 0.000 31.306) 35.755 4.844 ( -12.439 -0.000 -13.807) 18.584 4.918 ( 10.573 0.000 -27.523) 29.484 5.194 ( 9.419 0.000 -11.266) 14.685 5.329 ( -5.685 -0.000 -3.368) 6.608 5.351 ( -2.675 -0.000 -2.320) 3.541 5.936 ( 1.526 0.000 -9.010) 9.138 6.102 ( 12.054 0.000 -0.289) 12.058 6.343 ( 8.011 0.000 -0.657) 8.038 6.460 ( 0.538 0.000 -0.674) 0.862 6.588 ( 5.111 0.000 6.231) 8.059 6.912 ( -6.369 -0.000 14.788) 16.101 6.977 ( -2.932 -0.000 0.249) 2.942 7.386 ( -9.171 -0.000 -4.895) 10.396 7.531 ( 7.035 0.000 2.349) 7.416 7.763 ( 2.043 0.000 2.729) 3.409 7.812 ( -2.199 -0.000 8.904) 9.172 8.068 ( 2.565 0.000 -1.011) 2.757 8.095 ( 1.853 0.000 -2.994) 3.521 8.225 ( 0.706 0.000 -2.101) 2.217 8.686 ( -20.242 -0.000 -2.766) 20.430 9.099 ( -17.905 -0.000 -1.981) 18.014 9.978 ( 1.465 0.000 1.785) 2.309 11.076 ( -4.319 -0.000 -1.900) 4.719 12.752 ( -0.214 -0.000 -0.160) 0.267 13.457 ( -0.475 -0.000 -1.385) 1.465 13.886 ( 10.417 0.000 0.746) 10.444 13.985 ( 6.750 0.000 5.946) 8.996 14.188 ( 10.719 0.000 -3.295) 11.214 ======================= Grid point 266 (126/160) ======================= q-point: ( 0.22 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 5.288 -4.815 -22.669) 23.771 2.711 ( 1.268 -5.854 -14.497) 15.686 2.837 ( 0.123 -1.168 -7.673) 7.762 3.160 ( -2.041 2.965 7.585) 8.396 3.289 ( -4.486 0.521 5.952) 7.471 3.598 ( -7.060 11.214 12.226) 18.030 3.815 ( 1.906 11.087 5.751) 12.635 3.996 ( 0.376 7.404 0.414) 7.425 4.054 ( 4.071 -13.304 5.827) 15.084 4.117 ( -1.538 -6.936 -0.054) 7.105 4.658 ( -2.186 1.271 -5.023) 5.624 4.823 ( -10.681 -3.029 -12.221) 16.511 5.075 ( 9.992 7.093 -9.570) 15.548 5.252 ( -4.465 -6.570 -4.479) 9.119 5.345 ( 6.070 -4.692 -0.278) 7.677 5.494 ( 18.658 -3.452 21.371) 28.579 5.904 ( 2.304 -1.330 -11.588) 11.889 6.218 ( 8.507 9.108 -1.852) 12.600 6.380 ( 5.661 5.122 -4.176) 8.702 6.489 ( -2.917 -5.595 -2.786) 6.897 6.758 ( -3.854 3.891 14.794) 15.775 6.867 ( 5.842 -3.080 9.297) 11.404 7.007 ( 0.455 -6.548 -1.715) 6.784 7.203 ( -9.095 0.066 -3.480) 9.738 7.528 ( -10.064 1.761 1.580) 10.338 7.778 ( 6.157 7.005 6.048) 11.116 7.934 ( 0.109 -6.444 7.194) 9.659 8.083 ( 0.307 -0.289 -1.983) 2.028 8.092 ( 1.046 1.390 -2.686) 3.200 8.210 ( -2.913 -1.001 -7.413) 8.028 8.356 ( -11.449 1.776 -2.747) 11.907 8.761 ( -18.971 2.625 -1.517) 19.212 10.025 ( 2.887 -0.058 1.882) 3.447 11.002 ( -2.359 0.868 -2.739) 3.718 12.748 ( 0.031 0.245 -0.316) 0.401 13.473 ( 1.079 -2.257 -0.018) 2.502 14.055 ( 9.340 -0.700 -0.379) 9.374 14.136 ( 5.936 -0.715 8.217) 10.161 14.327 ( 8.199 -0.757 -4.778) 9.520 ======================= Grid point 267 (127/160) ======================= q-point: ( 0.33 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 8.609 -12.149 -11.816) 19.009 2.646 ( -0.813 -13.267 -25.386) 28.656 2.913 ( 5.088 3.904 5.340) 8.346 3.110 ( -4.507 5.221 -4.002) 7.974 3.237 ( -0.177 1.306 3.925) 4.141 3.357 ( -3.470 15.365 3.851) 16.216 3.634 ( -4.585 11.166 -4.726) 12.962 4.006 ( -2.585 2.664 -4.245) 5.639 4.131 ( 0.838 7.756 6.817) 10.360 4.383 ( 9.071 -12.065 14.878) 21.195 4.508 ( -11.010 -3.442 -4.377) 12.338 4.751 ( 2.388 -4.317 0.318) 4.944 5.045 ( -1.286 -0.637 -6.835) 6.984 5.252 ( 0.112 -4.242 0.950) 4.348 5.490 ( 6.167 -2.997 -3.952) 7.914 5.859 ( -1.423 -0.718 -2.141) 2.669 5.982 ( 11.121 -3.016 21.073) 24.017 6.240 ( 6.344 5.940 -6.236) 10.697 6.416 ( 1.484 3.291 2.474) 4.376 6.431 ( 1.190 -1.446 -6.020) 6.305 6.683 ( -5.946 0.866 10.414) 12.023 6.966 ( -2.326 2.693 -9.692) 10.325 7.065 ( 5.151 -2.819 2.777) 6.495 7.203 ( -0.701 -1.897 5.726) 6.072 7.283 ( -9.136 -1.656 0.258) 9.289 7.797 ( -11.871 5.349 -5.545) 14.152 7.878 ( 4.582 0.562 2.320) 5.166 8.052 ( -2.946 0.741 -4.841) 5.715 8.094 ( -3.652 -0.867 -2.253) 4.378 8.156 ( 2.858 -3.872 1.143) 4.946 8.308 ( 1.533 1.565 1.484) 2.646 8.492 ( -10.211 0.486 0.288) 10.227 10.082 ( 2.780 0.327 1.287) 3.080 10.956 ( -0.635 0.843 -2.510) 2.723 12.746 ( 0.301 0.365 -0.506) 0.693 13.519 ( 1.137 -2.336 1.243) 2.880 14.184 ( 6.377 0.339 -1.132) 6.485 14.256 ( 2.765 0.074 7.665) 8.149 14.411 ( 4.222 -1.182 -5.324) 6.897 ======================= Grid point 268 (128/160) ======================= q-point: (-0.56 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 1.837 -5.280 -9.634) 11.138 2.729 ( 5.451 -11.786 -11.965) 17.658 2.927 ( 0.071 1.180 -1.543) 1.944 3.081 ( 8.336 11.322 3.486) 14.485 3.178 ( 0.093 0.998 7.463) 7.530 3.399 ( 8.541 0.965 -2.876) 9.064 3.486 ( 0.244 5.502 -5.377) 7.697 3.736 ( -7.863 14.291 -2.593) 16.516 4.097 ( -2.301 -0.682 -6.226) 6.672 4.377 ( -7.839 -5.514 -4.133) 10.437 4.680 ( 2.174 -8.746 8.424) 12.336 4.868 ( 7.412 4.268 6.046) 10.474 5.028 ( -3.320 -6.683 2.152) 7.766 5.310 ( 2.242 0.177 3.649) 4.286 5.443 ( -15.010 3.580 12.077) 19.596 5.824 ( -2.628 -3.860 1.374) 4.868 6.056 ( -7.221 2.561 3.443) 8.400 6.191 ( -4.279 4.649 -6.935) 9.382 6.414 ( 10.920 1.976 -6.612) 12.918 6.603 ( 2.895 0.326 15.501) 15.773 6.671 ( -1.493 -2.764 2.152) 3.808 6.898 ( 3.497 1.740 -10.565) 11.264 7.068 ( 0.285 -1.898 -0.013) 1.919 7.164 ( 0.706 -3.668 0.891) 3.840 7.379 ( 1.954 0.600 -4.596) 5.030 7.571 ( -3.663 -2.044 -3.309) 5.343 7.901 ( -4.553 -1.434 0.316) 4.784 7.965 ( -0.758 1.583 -0.891) 1.968 8.113 ( 4.537 0.595 0.782) 4.642 8.203 ( -1.446 -2.402 0.872) 2.937 8.330 ( 2.609 2.164 0.457) 3.420 8.421 ( -1.433 -3.092 1.359) 3.668 10.111 ( 1.031 1.271 0.137) 1.643 10.937 ( 0.324 0.619 -1.520) 1.673 12.745 ( 0.385 0.362 -0.678) 0.859 13.556 ( 0.319 -0.745 2.210) 2.353 14.229 ( 1.490 2.590 -1.745) 3.460 14.304 ( -0.188 1.328 5.543) 5.703 14.431 ( 0.536 -1.025 -5.593) 5.712 ======================= Grid point 269 (129/160) ======================= q-point: (-0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -2.011 3.388 1.731) 4.304 2.832 ( -1.521 2.819 -7.874) 8.500 2.930 ( -3.155 22.664 16.248) 28.065 3.017 ( 12.174 -12.617 -4.607) 18.128 3.263 ( 3.430 7.359 2.246) 8.424 3.437 ( 7.331 -5.076 -6.111) 10.809 3.550 ( 9.036 -3.879 -6.718) 11.909 3.835 ( 17.389 -8.196 4.087) 19.654 3.996 ( -4.953 -4.457 -16.089) 17.414 4.253 ( -10.577 -1.734 1.169) 10.782 4.725 ( -3.137 4.123 7.201) 8.870 4.847 ( -6.190 5.585 -0.527) 8.354 5.038 ( -4.754 -0.717 3.189) 5.769 5.189 ( -19.021 -0.567 12.694) 22.875 5.384 ( 7.150 6.147 10.309) 13.971 5.799 ( -9.703 0.049 7.484) 12.254 5.883 ( -6.790 -2.160 -1.659) 7.316 6.064 ( -3.266 3.379 -6.261) 7.828 6.434 ( -6.352 2.969 -11.381) 13.367 6.636 ( 2.836 7.091 0.080) 7.638 6.762 ( 7.331 -5.552 13.810) 16.592 6.924 ( 6.968 -0.595 -8.018) 10.639 7.070 ( -10.090 -1.585 -6.653) 12.189 7.250 ( 10.738 -6.771 -2.433) 12.925 7.399 ( 3.652 -0.815 -2.424) 4.458 7.653 ( 5.102 -6.781 3.493) 9.177 7.809 ( -4.864 0.360 -1.778) 5.191 8.026 ( 5.388 -0.438 5.572) 7.763 8.128 ( -3.549 1.931 -0.069) 4.041 8.208 ( 0.503 -2.181 2.837) 3.614 8.346 ( 2.173 2.357 -2.024) 3.791 8.525 ( 7.639 -7.484 0.813) 10.725 10.090 ( -1.132 2.133 -1.037) 2.628 10.940 ( 1.093 0.056 -0.188) 1.111 12.744 ( 0.321 0.191 -0.728) 0.818 13.566 ( -0.145 1.744 2.964) 3.442 14.170 ( -2.901 4.496 -2.003) 5.714 14.282 ( -3.167 2.976 3.458) 5.554 14.384 ( -2.778 0.439 -6.807) 7.365 ======================= Grid point 270 (130/160) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -12.086 22.406 12.338) 28.290 2.711 ( -5.831 2.111 3.775) 7.260 2.881 ( 4.197 13.588 15.079) 20.728 3.294 ( 4.312 -9.988 -2.050) 11.070 3.429 ( 10.980 -9.347 -4.782) 15.192 3.530 ( 9.445 0.082 -18.097) 20.413 3.761 ( 10.524 -8.853 -0.233) 13.754 3.897 ( 3.486 -2.644 -11.915) 12.693 4.017 ( -7.938 7.414 11.604) 15.895 4.317 ( 13.466 -8.102 2.508) 15.915 4.627 ( -6.365 3.216 9.661) 12.008 4.676 ( -8.875 1.120 1.885) 9.142 4.876 ( -7.914 6.032 -1.343) 10.041 5.060 ( -7.525 -4.497 7.651) 11.635 5.492 ( 4.266 5.736 8.936) 11.444 5.674 ( -5.813 -0.856 4.920) 7.663 5.833 ( -5.147 -4.255 -2.926) 7.291 5.885 ( -7.967 8.342 -16.221) 19.904 6.203 ( -3.877 5.200 -5.825) 8.718 6.577 ( -5.817 2.537 1.042) 6.431 6.883 ( -7.568 3.230 -3.421) 8.911 6.971 ( 7.036 0.889 1.004) 7.163 7.070 ( 5.831 -7.561 1.908) 9.737 7.399 ( 5.136 1.308 -5.471) 7.617 7.468 ( 3.216 -8.505 0.299) 9.098 7.744 ( 0.880 2.011 -3.995) 4.558 7.845 ( 3.993 -5.915 6.383) 9.575 8.006 ( -6.569 2.207 1.002) 7.002 8.129 ( 0.929 -0.900 2.838) 3.119 8.291 ( 2.646 1.319 2.393) 3.804 8.360 ( 5.651 -3.475 1.406) 6.781 8.800 ( 12.841 -12.580 0.876) 17.998 10.034 ( -2.150 1.965 -1.448) 3.252 10.973 ( 2.088 -1.366 1.063) 2.712 12.745 ( 0.239 -0.136 -0.588) 0.649 13.558 ( 0.759 4.178 3.587) 5.559 14.046 ( -4.335 6.144 -2.074) 7.800 14.183 ( -5.921 4.414 0.961) 7.447 14.254 ( -6.487 3.000 -7.211) 10.153 ======================= Grid point 271 (131/160) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -5.611 12.026 24.976) 28.283 2.609 ( -7.391 6.633 15.859) 18.712 2.898 ( 2.457 5.637 1.586) 6.351 3.388 ( -5.242 -7.444 -6.742) 11.329 3.421 ( -4.088 -0.917 -11.947) 12.660 3.573 ( 10.733 7.351 -2.330) 13.216 3.900 ( -2.021 -1.801 -3.089) 4.107 3.937 ( 2.069 2.352 14.005) 14.351 4.185 ( 14.433 -8.408 -2.669) 16.916 4.410 ( 4.373 5.505 -5.206) 8.748 4.513 ( -7.859 7.031 10.679) 15.007 4.662 ( -4.411 -5.222 3.645) 7.747 4.846 ( 9.715 -1.091 2.861) 10.186 5.134 ( 3.302 -10.733 5.531) 12.518 5.389 ( -10.002 8.957 -20.376) 24.402 5.616 ( -0.706 -0.647 -5.703) 5.782 5.693 ( 3.852 2.268 3.051) 5.412 5.742 ( -8.859 -5.303 -5.562) 11.727 6.189 ( 4.328 2.763 3.727) 6.344 6.430 ( -9.751 0.028 0.727) 9.778 6.718 ( -5.471 5.401 -2.421) 8.060 7.004 ( -3.000 -1.360 -4.998) 5.986 7.168 ( 4.264 3.174 5.433) 7.601 7.453 ( 0.931 1.403 0.349) 1.720 7.558 ( 2.157 -0.728 0.677) 2.376 7.730 ( 2.376 0.025 -7.962) 8.309 7.887 ( -3.395 -2.103 4.104) 5.726 7.980 ( 1.793 -0.530 1.976) 2.720 8.129 ( -1.122 2.093 0.940) 2.554 8.239 ( -1.401 3.716 -2.623) 4.759 8.643 ( 9.513 -13.443 9.428) 18.976 9.131 ( 9.991 -14.421 -0.474) 17.550 9.983 ( -1.524 0.745 -0.909) 1.924 11.046 ( 2.665 -3.908 1.620) 5.000 12.748 ( 0.146 -0.452 -0.320) 0.573 13.561 ( 3.178 5.662 3.846) 7.546 13.900 ( -3.756 8.521 -3.248) 9.862 14.018 ( -6.982 5.654 -3.800) 9.755 14.074 ( -7.082 3.560 -1.248) 8.024 ======================= Grid point 272 (132/160) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 2.113 -2.093 30.954) 31.097 2.560 ( -1.390 7.494 25.461) 26.578 2.876 ( 1.852 -1.800 -14.461) 14.690 3.152 ( -9.081 0.485 -18.506) 20.619 3.381 ( -4.305 0.379 1.313) 4.517 3.721 ( 11.241 6.561 8.112) 15.337 3.870 ( -2.991 6.249 9.925) 12.104 3.986 ( -0.184 -1.837 2.746) 3.309 4.255 ( -1.635 4.142 0.290) 4.462 4.383 ( -9.092 -0.186 2.613) 9.462 4.400 ( -5.273 3.136 6.412) 8.875 4.726 ( 14.908 2.276 -7.082) 16.660 4.986 ( -0.625 7.834 -36.022) 36.870 5.205 ( 17.655 -8.685 3.852) 20.049 5.304 ( -1.149 -9.048 -0.417) 9.131 5.593 ( -8.590 -7.024 -4.972) 12.159 5.658 ( -3.130 -4.096 1.852) 5.477 5.784 ( 8.190 1.579 -1.040) 8.405 6.240 ( 1.281 3.561 3.550) 5.189 6.352 ( -0.532 -3.618 1.775) 4.065 6.607 ( -0.823 3.107 -0.934) 3.347 6.902 ( -6.506 0.059 1.503) 6.677 7.225 ( 2.044 6.520 1.094) 6.920 7.350 ( -2.220 6.775 1.570) 7.300 7.584 ( 0.259 2.023 -0.687) 2.152 7.730 ( -1.953 -5.085 -2.655) 6.060 7.916 ( 0.423 -1.103 2.062) 2.377 7.999 ( 0.172 0.524 -0.255) 0.608 8.062 ( 1.144 7.883 -0.799) 8.006 8.211 ( -0.103 -1.642 -0.774) 1.818 8.913 ( 0.250 -13.032 8.115) 15.354 9.337 ( 0.574 -11.235 -2.965) 11.634 9.962 ( -0.612 -0.181 -0.048) 0.639 11.129 ( 0.385 -5.274 0.814) 5.351 12.753 ( -0.026 -0.528 -0.104) 0.539 13.594 ( 4.710 6.405 1.987) 8.195 13.715 ( -4.532 7.681 -3.181) 9.469 13.889 ( -1.191 4.675 -0.320) 4.835 13.979 ( 0.190 2.439 -0.010) 2.446 ======================= Grid point 275 (133/160) ======================= q-point: ( 0.22 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 7.929 0.000 -15.931) 17.795 2.518 ( 2.425 0.000 -25.507) 25.622 2.946 ( 2.834 0.000 5.001) 5.748 3.178 ( -8.107 -0.000 -5.791) 9.963 3.217 ( 4.670 0.000 6.273) 7.820 3.580 ( -4.659 -0.000 -11.030) 11.974 3.884 ( -3.393 -0.000 3.899) 5.168 3.990 ( 2.963 0.000 16.284) 16.552 4.017 ( -2.306 -0.000 -4.299) 4.879 4.291 ( 8.841 0.000 12.567) 15.366 4.493 ( -16.899 -0.000 -10.383) 19.834 4.714 ( 7.119 0.000 4.698) 8.529 5.061 ( -10.356 -0.000 -1.060) 10.410 5.200 ( 3.005 0.000 0.645) 3.073 5.447 ( 13.756 0.000 -10.230) 17.143 5.855 ( -3.993 -0.000 -5.286) 6.625 5.940 ( 17.829 0.000 26.840) 32.222 6.308 ( 0.767 0.000 -5.150) 5.206 6.407 ( 3.884 0.000 -14.532) 15.042 6.485 ( 1.951 0.000 6.571) 6.855 6.682 ( -10.915 -0.000 8.094) 13.589 7.025 ( 5.723 0.000 -4.220) 7.110 7.039 ( -0.007 -0.000 3.103) 3.103 7.108 ( 6.996 0.000 5.340) 8.801 7.293 ( -18.591 -0.000 1.436) 18.647 7.853 ( -13.042 -0.000 -3.124) 13.411 7.899 ( 0.302 0.000 1.533) 1.563 8.058 ( -0.941 -0.000 -3.866) 3.979 8.065 ( 0.376 0.000 -2.526) 2.554 8.123 ( 2.874 0.000 -1.548) 3.264 8.322 ( 1.049 0.000 1.986) 2.246 8.496 ( -12.430 -0.000 -0.614) 12.445 10.086 ( 3.213 0.000 1.331) 3.478 10.965 ( -0.734 -0.000 -3.027) 3.115 12.749 ( 0.334 0.000 -0.723) 0.796 13.496 ( 1.825 0.000 2.468) 3.069 14.187 ( 7.716 0.000 -2.080) 7.992 14.256 ( 3.490 0.000 7.459) 8.235 14.399 ( 4.270 0.000 -5.056) 6.618 ======================= Grid point 276 (134/160) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 8.191 -6.197 -11.100) 15.123 2.555 ( 9.534 -5.176 -9.236) 14.247 2.954 ( -2.809 0.839 1.866) 3.475 3.013 ( -2.567 -1.709 -10.531) 10.974 3.382 ( 12.124 1.473 -2.200) 12.409 3.468 ( 6.050 5.053 -14.431) 16.444 3.738 ( -2.647 19.940 8.186) 21.717 3.923 ( -4.656 0.943 -8.299) 9.563 4.124 ( -11.519 7.295 0.857) 13.662 4.281 ( -4.690 -8.674 8.248) 12.856 4.397 ( -0.793 -14.398 4.356) 15.063 4.900 ( 4.207 -1.216 9.789) 10.724 4.973 ( 2.623 0.828 5.735) 6.360 5.278 ( 3.225 -2.159 6.275) 7.378 5.559 ( -0.215 6.950 -0.166) 6.956 5.727 ( -7.340 -5.743 1.153) 9.391 6.122 ( -6.420 3.388 6.835) 9.971 6.293 ( -2.683 6.092 -3.489) 7.516 6.416 ( 5.555 -3.274 -8.259) 10.478 6.579 ( -6.800 -4.251 3.040) 8.576 6.597 ( 7.975 -0.648 10.987) 13.592 6.985 ( 1.312 6.270 -3.019) 7.081 7.056 ( -3.786 -0.700 0.556) 3.890 7.114 ( 2.788 -1.636 -4.660) 5.672 7.321 ( 6.712 -4.686 3.577) 8.933 7.566 ( -11.131 0.872 -10.010) 14.995 7.882 ( -3.079 -0.441 0.568) 3.162 8.006 ( -0.964 2.351 -2.838) 3.809 8.107 ( 1.684 -1.432 3.079) 3.790 8.170 ( 1.848 -0.693 -0.678) 2.087 8.332 ( -1.494 -1.583 1.300) 2.536 8.396 ( -0.701 0.558 1.035) 1.369 10.131 ( 1.879 0.654 0.234) 2.004 10.946 ( 0.271 0.296 -2.389) 2.423 12.750 ( 0.428 0.168 -1.104) 1.196 13.545 ( 1.496 -0.333 4.473) 4.728 14.270 ( 4.416 1.488 -3.276) 5.697 14.316 ( 0.611 0.020 3.092) 3.152 14.416 ( 0.406 -0.414 -2.931) 2.988 ======================= Grid point 277 (135/160) ======================= q-point: (-0.56 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 3.527 0.575 -4.330) 5.614 2.691 ( 10.235 -10.411 -6.667) 16.050 2.912 ( 0.755 -1.446 -2.773) 3.217 3.163 ( 9.847 -13.955 5.211) 17.857 3.403 ( -3.185 21.266 -3.046) 21.718 3.511 ( 9.074 5.600 -10.117) 14.698 3.581 ( 4.933 9.361 -1.374) 10.670 3.803 ( 1.779 0.449 -7.790) 8.003 3.923 ( -1.383 2.711 -3.507) 4.643 4.236 ( -8.307 -4.122 5.064) 10.566 4.597 ( -2.450 -15.211 7.415) 17.099 4.942 ( -2.880 -2.486 3.325) 5.053 5.020 ( -1.804 8.782 1.703) 9.125 5.318 ( -16.441 12.143 18.076) 27.285 5.439 ( 7.502 -2.323 13.198) 15.358 5.754 ( -2.971 -4.136 3.332) 6.086 5.902 ( -14.023 3.618 1.414) 14.551 6.154 ( -1.570 6.028 -8.139) 10.249 6.471 ( -2.278 1.039 -8.403) 8.768 6.566 ( 2.138 -13.508 3.416) 14.096 6.697 ( -4.055 -1.348 -1.330) 4.475 6.966 ( 4.107 4.697 -1.356) 6.385 7.087 ( -1.341 2.449 -0.060) 2.793 7.163 ( 9.347 -2.040 -2.762) 9.958 7.389 ( 2.755 -0.238 -3.569) 4.516 7.536 ( 4.956 -5.514 1.066) 7.490 7.808 ( -4.428 -0.166 -2.651) 5.163 8.013 ( 3.243 -0.265 2.753) 4.263 8.150 ( -3.101 -1.528 2.061) 4.025 8.181 ( 1.989 0.643 1.840) 2.785 8.379 ( 3.217 -2.729 -1.639) 4.525 8.395 ( 0.738 -1.641 1.152) 2.136 10.130 ( -0.424 1.741 -1.101) 2.103 10.942 ( 0.740 0.167 -1.227) 1.443 12.748 ( 0.273 0.178 -1.287) 1.328 13.592 ( 1.203 0.998 5.944) 6.146 14.249 ( -1.016 3.696 -3.948) 5.502 14.323 ( -0.485 0.944 -0.575) 1.207 14.389 ( -2.413 0.246 -2.115) 3.218 ======================= Grid point 278 (136/160) ======================= q-point: (-0.44 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -0.906 1.107 1.656) 2.188 2.869 ( -2.947 15.440 -1.245) 15.768 2.980 ( 6.263 -16.337 -5.748) 18.416 3.068 ( -2.790 10.029 6.097) 12.064 3.483 ( 4.555 -2.605 1.224) 5.388 3.563 ( 11.083 6.717 -4.537) 13.730 3.581 ( 7.401 -2.717 -1.269) 7.985 3.829 ( 5.083 -4.021 -14.353) 15.749 4.109 ( 19.332 -6.466 0.495) 20.391 4.172 ( -6.042 0.516 9.742) 11.475 4.636 ( -10.835 -8.030 2.429) 13.703 4.769 ( -5.453 9.409 0.570) 10.890 4.971 ( -8.549 -0.382 11.434) 14.282 5.040 ( -9.924 13.082 10.641) 19.567 5.567 ( -10.075 1.867 11.991) 15.773 5.676 ( 2.565 -1.688 1.375) 3.364 5.805 ( -0.281 1.644 -3.201) 3.610 6.022 ( -3.315 6.348 -9.083) 11.567 6.311 ( -4.212 5.496 -10.319) 12.427 6.568 ( -10.470 -3.618 -4.836) 12.087 6.824 ( 4.406 -15.124 2.889) 16.016 6.951 ( 2.079 4.896 1.607) 5.556 7.078 ( 4.367 6.207 3.034) 8.174 7.306 ( 5.125 -6.547 -3.302) 8.946 7.409 ( 1.563 -0.992 -4.247) 4.633 7.729 ( 6.719 -3.731 5.885) 9.680 7.766 ( 2.333 -2.015 -3.054) 4.339 8.034 ( -6.345 -0.348 0.276) 6.361 8.135 ( 2.805 1.941 3.940) 5.212 8.242 ( 2.352 -2.991 5.225) 6.464 8.370 ( -0.079 1.448 -1.880) 2.374 8.558 ( 7.383 -11.901 -1.034) 14.043 10.078 ( -2.210 2.388 -1.910) 3.773 10.955 ( 1.053 -0.565 -0.085) 1.198 12.743 ( 0.055 -0.042 -1.147) 1.149 13.630 ( 1.838 3.248 6.908) 7.852 14.154 ( -2.381 5.033 -3.877) 6.784 14.263 ( -3.732 3.607 -0.815) 5.254 14.304 ( -4.602 2.108 -4.891) 7.038 ======================= Grid point 279 (137/160) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -10.129 21.382 13.132) 27.060 2.659 ( -3.021 1.182 2.398) 4.034 3.006 ( -2.946 0.715 -3.949) 4.979 3.220 ( 4.098 -5.697 0.366) 7.028 3.441 ( -2.390 3.546 0.918) 4.374 3.657 ( 10.814 -1.610 -10.384) 15.079 3.781 ( 0.896 -4.502 -7.383) 8.693 3.987 ( 14.373 -8.413 1.933) 16.766 4.152 ( 1.860 7.519 16.037) 17.809 4.466 ( 1.983 -9.526 5.726) 11.290 4.524 ( 2.734 4.946 -5.638) 7.983 4.716 ( -1.334 5.412 12.688) 13.859 4.789 ( -1.723 0.087 2.785) 3.276 4.985 ( -3.222 -2.006 8.910) 9.685 5.441 ( -5.730 0.494 1.328) 5.902 5.673 ( -6.395 -0.439 -11.834) 13.459 5.728 ( -4.384 6.629 -10.842) 13.443 5.798 ( -0.466 8.708 -9.892) 13.187 6.246 ( 4.530 2.826 0.425) 5.357 6.408 ( -9.563 -1.547 -0.781) 9.719 6.817 ( -3.048 4.900 0.046) 5.771 7.011 ( -3.752 0.383 -1.464) 4.046 7.171 ( 7.175 -2.375 8.795) 11.596 7.424 ( 2.041 -4.559 -2.117) 5.425 7.478 ( 5.891 -6.291 0.110) 8.619 7.766 ( 1.640 1.031 -7.859) 8.095 7.858 ( -3.447 -0.546 4.950) 6.057 7.974 ( 2.594 -0.165 3.425) 4.300 8.150 ( -0.072 1.695 1.814) 2.484 8.312 ( -1.648 2.336 -1.691) 3.321 8.408 ( 4.223 -9.391 5.615) 11.728 8.818 ( 6.611 -17.436 -0.038) 18.647 10.009 ( -2.150 1.894 -1.481) 3.225 10.987 ( 1.104 -2.145 0.610) 2.489 12.740 ( -0.080 -0.419 -0.718) 0.835 13.670 ( 3.565 5.427 7.302) 9.772 14.051 ( -0.718 6.994 -3.853) 8.018 14.131 ( -5.135 5.728 -5.096) 9.227 14.153 ( -6.718 4.469 -1.802) 8.268 ======================= Grid point 280 (138/160) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -3.006 8.852 23.128) 24.945 2.639 ( -1.492 2.034 11.124) 11.406 2.894 ( -2.519 2.551 -12.592) 13.092 3.185 ( -5.189 3.742 -0.863) 6.456 3.403 ( -4.951 1.357 4.380) 6.749 3.753 ( 6.891 -1.755 -15.246) 16.823 3.806 ( 0.688 -6.310 -0.538) 6.370 4.188 ( 0.223 0.473 11.848) 11.860 4.249 ( 1.522 4.192 9.553) 10.542 4.448 ( -1.705 10.141 10.923) 15.002 4.466 ( 0.050 1.163 -4.512) 4.660 4.793 ( 10.143 6.177 1.427) 11.962 4.956 ( 6.201 -17.318 2.580) 18.574 5.105 ( 2.173 -2.978 1.214) 3.881 5.256 ( 0.044 11.403 -27.770) 30.020 5.519 ( -3.796 -1.017 -1.200) 4.109 5.547 ( -3.887 -2.381 1.156) 4.703 5.769 ( 3.981 -3.362 -14.158) 15.087 6.267 ( -5.799 -0.212 5.986) 8.337 6.353 ( 5.548 2.855 -0.950) 6.311 6.717 ( -0.948 8.448 1.369) 8.611 6.918 ( -4.631 1.125 1.642) 5.041 7.310 ( 3.085 0.518 3.514) 4.704 7.446 ( -0.086 1.596 0.409) 1.650 7.583 ( -1.579 -2.072 1.741) 3.134 7.687 ( -2.014 -0.662 -5.033) 5.461 7.885 ( 2.609 -1.633 0.432) 3.108 8.013 ( 0.873 1.535 0.398) 1.811 8.162 ( 1.889 0.828 2.068) 2.921 8.224 ( -2.643 4.582 -2.314) 5.774 8.614 ( -0.224 -16.480 6.324) 17.653 9.049 ( -0.058 -18.220 -0.443) 18.226 9.968 ( -0.697 0.877 -0.197) 1.137 11.033 ( 0.150 -4.139 0.696) 4.200 12.741 ( -0.160 -0.716 -0.226) 0.768 13.725 ( 5.732 6.861 6.568) 11.094 13.887 ( -5.837 9.315 -8.019) 13.607 14.004 ( -2.087 6.910 0.079) 7.219 14.042 ( 1.456 4.124 -0.777) 4.442 ======================= Grid point 281 (139/160) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 2.191 0.814 21.458) 21.585 2.721 ( 1.835 -2.981 -17.497) 17.844 2.786 ( 3.558 2.083 20.468) 20.879 3.097 ( -0.028 4.360 1.542) 4.625 3.301 ( -7.973 -1.805 3.990) 9.097 3.688 ( -5.288 6.251 -16.513) 18.431 3.870 ( 0.234 -6.462 0.572) 6.491 4.100 ( -15.209 -4.606 3.613) 16.297 4.253 ( 0.946 12.133 2.173) 12.362 4.335 ( -1.908 8.978 -1.359) 9.279 4.531 ( 8.603 6.955 21.054) 23.784 4.925 ( 1.880 -4.320 -13.066) 13.889 4.982 ( 13.188 6.094 -16.955) 22.328 5.043 ( -3.165 1.309 -12.406) 12.870 5.281 ( 1.540 -8.704 -4.772) 10.046 5.562 ( 4.336 -6.250 9.133) 11.886 5.621 ( 4.185 -0.637 2.302) 4.819 5.849 ( 8.193 -7.285 -12.962) 16.977 6.222 ( -3.640 -0.983 1.340) 4.001 6.415 ( 6.546 1.351 1.680) 6.892 6.683 ( 3.856 6.121 2.131) 7.542 6.866 ( -4.380 2.117 8.688) 9.957 7.235 ( -4.190 7.514 -1.474) 8.729 7.477 ( 1.406 -1.111 -1.478) 2.323 7.543 ( -1.890 3.207 5.013) 6.244 7.633 ( -5.187 -2.628 -2.390) 6.287 7.929 ( 2.029 0.906 -0.027) 2.222 8.019 ( 1.240 -0.447 -1.663) 2.122 8.145 ( 0.519 5.516 -0.263) 5.547 8.200 ( 1.455 -0.659 0.542) 1.687 8.717 ( -9.840 -15.269 2.891) 18.393 9.128 ( -9.096 -14.422 -0.941) 17.077 9.963 ( 0.430 0.525 0.977) 1.189 11.063 ( -2.079 -4.509 -0.019) 4.965 12.744 ( -0.236 -0.741 0.044) 0.779 13.657 ( -4.040 9.422 -5.609) 11.685 13.816 ( 6.964 5.673 4.851) 10.209 13.947 ( 1.979 4.564 2.317) 5.488 14.087 ( 8.523 3.784 -1.460) 9.439 ======================= Grid point 285 (140/160) ======================= q-point: (-0.67 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 6.816 0.000 -4.463) 8.147 2.680 ( 8.938 0.000 -3.041) 9.442 2.909 ( 3.847 0.000 -14.602) 15.101 2.995 ( 4.312 0.000 12.775) 13.483 3.539 ( 8.980 0.000 -13.269) 16.022 3.557 ( 14.535 0.000 -19.500) 24.321 3.781 ( -0.666 -0.000 -16.482) 16.496 3.847 ( -5.453 -0.000 9.260) 10.746 4.053 ( -16.806 -0.000 -5.228) 17.600 4.103 ( -2.120 -0.000 12.916) 13.089 4.359 ( -1.361 -0.000 16.504) 16.560 4.923 ( -1.679 -0.000 4.802) 5.087 5.159 ( 6.509 0.000 6.606) 9.274 5.350 ( 1.833 0.000 8.230) 8.432 5.498 ( -13.324 -0.000 19.988) 24.022 5.681 ( 2.349 0.000 -1.610) 2.848 5.958 ( -17.325 -0.000 3.752) 17.727 6.289 ( -2.474 -0.000 -1.713) 3.010 6.332 ( 0.220 0.000 -4.828) 4.833 6.479 ( -2.034 -0.000 -6.198) 6.523 6.671 ( -7.029 -0.000 -1.792) 7.254 7.030 ( 3.481 0.000 -1.117) 3.655 7.112 ( 4.975 0.000 1.647) 5.241 7.154 ( 7.200 0.000 -2.788) 7.721 7.387 ( 2.877 0.000 -1.029) 3.056 7.473 ( 4.834 0.000 -1.591) 5.089 7.808 ( -4.731 -0.000 -3.498) 5.884 8.018 ( 1.036 0.000 0.294) 1.076 8.116 ( -0.761 -0.000 4.713) 4.774 8.196 ( 1.631 0.000 -0.458) 1.694 8.319 ( 1.841 0.000 0.205) 1.853 8.410 ( -0.201 -0.000 0.623) 0.654 10.147 ( -0.188 -0.000 -1.063) 1.080 10.944 ( 0.615 0.000 -1.582) 1.698 12.750 ( 0.250 0.000 -1.511) 1.531 13.602 ( 1.720 0.000 7.072) 7.278 14.297 ( -1.794 -0.000 -3.863) 4.259 14.318 ( 2.524 0.000 -5.189) 5.771 14.393 ( -2.793 -0.000 1.947) 3.404 ======================= Grid point 287 (141/160) ======================= q-point: (-0.56 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 3.721 -1.236 -4.712) 6.129 2.758 ( 3.235 -5.081 -0.277) 6.030 2.980 ( 11.595 2.449 -3.624) 12.393 3.286 ( 11.615 -8.935 14.717) 20.769 3.443 ( -9.997 19.802 -4.639) 22.662 3.577 ( 1.445 2.217 -13.014) 13.280 3.759 ( 8.530 -2.027 -17.034) 19.158 3.779 ( 6.703 6.693 -0.796) 9.506 3.943 ( -1.031 -12.199 -4.019) 12.885 4.178 ( 3.203 3.833 12.026) 13.022 4.387 ( -11.482 -13.935 9.010) 20.179 4.841 ( -6.666 -0.192 -7.358) 9.931 5.177 ( 1.543 16.455 14.503) 21.988 5.345 ( -9.664 13.796 18.655) 25.135 5.513 ( -1.146 -8.294 11.600) 14.306 5.615 ( -10.517 -1.219 1.774) 10.735 5.811 ( 0.744 -3.445 -2.163) 4.135 6.161 ( -2.387 8.708 -7.898) 11.996 6.380 ( -2.853 0.586 -5.529) 6.250 6.482 ( -2.811 -6.686 -5.025) 8.823 6.524 ( 0.641 -9.756 1.710) 9.926 7.067 ( 2.572 4.487 0.167) 5.175 7.163 ( 1.650 2.409 3.436) 4.509 7.229 ( 3.468 -1.708 -6.044) 7.175 7.396 ( 0.235 -0.181 -5.708) 5.716 7.668 ( 11.752 -2.071 7.549) 14.121 7.729 ( -0.894 -1.548 -5.497) 5.780 8.018 ( -3.314 -0.621 1.052) 3.532 8.142 ( 0.512 -1.626 5.590) 5.845 8.225 ( 1.831 0.931 1.891) 2.792 8.377 ( 0.276 -1.809 -2.327) 2.960 8.408 ( 3.103 -2.166 -0.210) 3.790 10.113 ( -2.260 1.052 -2.109) 3.266 10.949 ( 0.671 -0.104 -0.534) 0.864 12.743 ( -0.070 0.000 -1.516) 1.518 13.673 ( 2.458 1.190 8.871) 9.282 14.226 ( -1.826 2.301 -5.143) 5.923 14.302 ( -0.660 0.558 -6.546) 6.603 14.336 ( -4.829 1.193 1.569) 5.216 ======================= Grid point 288 (142/160) ======================= q-point: (-0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 0.990 1.994 1.687) 2.794 2.864 ( -0.226 -3.780 -4.288) 5.721 2.977 ( -9.249 19.195 0.256) 21.309 3.209 ( 11.461 1.640 4.104) 12.283 3.502 ( -1.107 -2.602 5.360) 6.060 3.603 ( 5.749 1.520 -9.372) 11.099 3.732 ( -7.700 -1.969 5.192) 9.493 3.867 ( 11.733 -3.324 -2.940) 12.544 4.103 ( 2.884 -9.493 -3.338) 10.468 4.273 ( 3.186 -12.610 0.036) 13.007 4.461 ( 5.810 -5.128 4.654) 9.040 4.686 ( -7.680 -1.959 -5.152) 9.453 5.100 ( -1.691 14.233 10.811) 17.953 5.133 ( -4.402 21.860 20.051) 29.988 5.463 ( -3.520 1.203 2.067) 4.256 5.609 ( -2.544 -5.585 -7.143) 9.417 5.830 ( -0.854 2.175 -6.348) 6.765 5.981 ( -4.377 8.281 -7.682) 12.114 6.294 ( 0.289 2.593 -4.283) 5.015 6.398 ( -3.380 0.825 -1.194) 3.679 6.784 ( 5.531 -10.817 5.204) 13.217 7.029 ( -0.774 4.525 2.446) 5.201 7.168 ( -0.441 2.497 0.877) 2.683 7.294 ( 3.125 -8.054 0.158) 8.641 7.365 ( -1.015 -5.197 -6.683) 8.526 7.752 ( 3.796 -1.485 -6.783) 7.914 7.866 ( 1.683 1.296 5.759) 6.139 7.958 ( 0.136 -1.534 3.805) 4.105 8.199 ( 0.378 1.449 1.154) 1.890 8.261 ( 0.425 -3.453 5.529) 6.533 8.354 ( -1.108 -0.441 -0.674) 1.370 8.538 ( 4.367 -10.274 -1.925) 11.329 10.045 ( -2.659 1.610 -1.983) 3.687 10.962 ( 0.616 -0.633 0.090) 0.888 12.733 ( -0.280 -0.230 -1.068) 1.128 13.752 ( 3.696 3.133 9.754) 10.891 14.155 ( -0.146 3.860 -4.104) 5.637 14.213 ( -3.491 2.716 -8.725) 9.782 14.234 ( -5.305 3.686 1.234) 6.577 ======================= Grid point 289 (143/160) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -9.370 15.890 8.792) 20.435 2.688 ( 0.312 3.966 8.619) 9.493 2.920 ( 2.110 0.519 -11.621) 11.823 3.303 ( -5.424 7.915 12.167) 15.495 3.428 ( -8.021 1.392 7.086) 10.793 3.644 ( -0.543 -8.269 -2.295) 8.598 3.721 ( 8.871 -3.351 -13.220) 16.269 4.067 ( -0.104 -6.251 2.352) 6.679 4.234 ( 2.603 -11.744 2.041) 12.201 4.439 ( -2.885 -6.428 -2.773) 7.571 4.493 ( 7.115 -4.845 -6.267) 10.647 4.775 ( 6.320 -1.816 5.895) 8.831 4.965 ( -6.063 3.951 11.368) 13.476 5.114 ( 12.194 16.237 14.914) 25.195 5.442 ( 4.243 3.747 -15.812) 16.795 5.549 ( -1.060 1.770 1.317) 2.447 5.633 ( -5.287 10.926 -16.723) 20.663 5.788 ( -1.673 8.664 -10.326) 13.583 6.270 ( -4.975 0.324 6.429) 8.136 6.388 ( 4.662 0.467 -2.775) 5.446 6.883 ( 3.376 6.175 4.072) 8.130 6.939 ( -5.700 2.817 -0.006) 6.359 7.239 ( 1.779 -6.813 5.898) 9.185 7.388 ( 0.240 -7.164 -4.770) 8.610 7.453 ( 1.758 -11.890 0.022) 12.020 7.698 ( -6.369 1.968 -1.597) 6.855 7.869 ( 3.460 0.006 -0.965) 3.592 8.064 ( 3.542 2.751 3.561) 5.726 8.166 ( -0.787 -0.222 -0.704) 1.079 8.286 ( -1.864 0.676 0.584) 2.067 8.382 ( -0.880 -6.230 4.536) 7.757 8.701 ( -0.290 -16.929 -0.396) 16.937 9.992 ( -0.914 1.476 -0.521) 1.812 10.981 ( 0.227 -1.534 0.130) 1.556 12.728 ( -0.311 -0.557 -0.367) 0.736 13.837 ( 4.982 4.796 9.672) 11.890 14.038 ( -5.037 6.398 -9.947) 12.855 14.104 ( -3.146 3.612 0.194) 4.794 14.146 ( 2.560 6.112 -1.235) 6.741 ======================= Grid point 290 (144/160) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -0.085 4.477 17.064) 17.642 2.728 ( 2.694 3.119 10.551) 11.327 2.855 ( 1.469 5.326 -9.243) 10.768 3.163 ( -11.777 1.556 13.050) 17.647 3.292 ( -5.623 2.320 -1.441) 6.251 3.702 ( -4.148 -8.582 -3.155) 10.040 3.818 ( 6.438 3.072 -8.298) 10.943 3.975 ( -13.360 -6.098 -1.497) 14.762 4.371 ( 1.839 -0.411 3.981) 4.405 4.434 ( 2.520 -3.527 -8.406) 9.458 4.598 ( -2.239 -0.679 -3.432) 4.154 4.783 ( -2.306 -6.188 -0.429) 6.617 5.076 ( 5.946 0.312 11.118) 12.612 5.234 ( 7.928 12.195 -2.198) 14.711 5.266 ( 7.654 15.176 -23.888) 29.318 5.496 ( 3.461 -0.027 6.745) 7.581 5.635 ( 6.911 3.372 6.606) 10.137 5.734 ( 8.841 -2.094 -15.089) 17.614 6.218 ( -4.790 0.261 6.052) 7.723 6.436 ( 3.535 0.089 -2.982) 4.626 6.808 ( -1.707 5.893 2.212) 6.522 6.935 ( 2.231 4.933 5.899) 8.006 7.297 ( -2.709 -2.153 -0.028) 3.461 7.393 ( -5.271 -5.954 -3.641) 8.746 7.533 ( -2.642 -7.262 -2.772) 8.210 7.609 ( -2.979 0.168 4.904) 5.740 7.933 ( 5.084 0.009 -2.274) 5.570 8.034 ( -1.708 2.374 -2.011) 3.549 8.183 ( 1.165 0.155 -1.337) 1.780 8.254 ( 0.020 3.636 3.336) 4.934 8.440 ( -5.919 -11.639 3.365) 13.485 8.811 ( -7.141 -17.974 0.316) 19.344 9.982 ( 0.905 1.414 1.097) 2.005 10.996 ( -0.753 -2.384 -0.195) 2.507 12.730 ( -0.271 -0.750 0.205) 0.823 13.833 ( -4.825 8.399 -8.502) 12.888 13.924 ( 5.504 5.412 8.080) 11.174 14.035 ( -0.228 4.319 2.423) 4.958 14.175 ( 7.661 5.178 -1.778) 9.416 ======================= Grid point 291 (145/160) ======================= q-point: (-0.11 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 3.671 1.296 11.418) 12.063 2.712 ( 5.125 9.841 -15.293) 18.894 2.971 ( 4.868 -8.439 23.395) 25.343 3.052 ( -10.321 -6.186 11.145) 16.401 3.234 ( 1.290 1.578 -0.342) 2.066 3.554 ( -9.299 7.205 -12.840) 17.414 3.758 ( -15.951 -10.052 -2.261) 18.990 3.827 ( -1.977 1.187 -6.477) 6.876 4.313 ( -0.438 9.850 -11.240) 14.952 4.365 ( -3.364 4.285 0.991) 5.537 4.624 ( -2.527 -13.761 -1.344) 14.056 4.787 ( 0.276 1.464 0.076) 1.491 5.119 ( 10.384 11.012 -21.870) 26.596 5.181 ( 6.441 -5.185 -3.627) 9.029 5.422 ( 14.020 13.317 19.199) 27.249 5.596 ( -0.433 3.571 5.857) 6.873 5.751 ( 11.230 -2.421 -3.100) 11.899 5.887 ( 10.087 -3.553 -10.854) 15.237 6.165 ( -1.376 -0.976 0.112) 1.691 6.557 ( 8.494 -2.996 4.970) 10.287 6.763 ( -3.927 1.396 7.436) 8.525 6.891 ( -2.557 9.218 4.102) 10.408 7.222 ( -3.670 1.348 -5.455) 6.712 7.327 ( -8.358 -4.611 -0.987) 9.597 7.492 ( -4.115 -5.471 -3.182) 7.550 7.631 ( 1.569 1.826 6.394) 6.832 7.969 ( -3.347 -3.859 -5.117) 7.231 8.018 ( 6.224 2.261 0.008) 6.622 8.179 ( -0.030 1.628 -1.257) 2.057 8.245 ( 0.345 2.900 3.105) 4.263 8.417 ( -10.434 -9.514 -0.563) 14.132 8.800 ( -13.018 -13.978 0.422) 19.106 9.998 ( 1.704 1.451 1.931) 2.956 10.995 ( -1.778 -2.365 -0.932) 3.103 12.734 ( -0.196 -0.711 0.348) 0.816 13.654 ( -2.569 7.861 -5.705) 10.047 13.992 ( 5.408 4.232 3.299) 7.619 14.064 ( 4.338 3.094 7.215) 8.969 14.262 ( 9.171 3.637 -2.960) 10.301 ======================= Grid point 296 (146/160) ======================= q-point: (-0.56 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -1.366 -0.000 3.842) 4.077 2.740 ( 8.895 0.000 -4.779) 10.097 3.230 ( 16.358 0.000 -0.981) 16.388 3.320 ( -16.878 -0.000 -3.237) 17.185 3.441 ( 2.021 0.000 8.732) 8.962 3.519 ( 0.276 0.000 -3.261) 3.273 3.778 ( 2.767 0.000 5.456) 6.117 3.864 ( 8.066 0.000 -5.721) 9.889 3.940 ( -16.508 -0.000 -0.745) 16.525 4.117 ( 11.635 0.000 -8.382) 14.340 4.421 ( 9.796 0.000 11.278) 14.938 4.663 ( -9.787 -0.000 -7.228) 12.166 5.262 ( -12.400 -0.000 3.591) 12.909 5.440 ( 2.677 0.000 18.920) 19.108 5.474 ( -3.115 -0.000 -9.124) 9.641 5.533 ( 0.728 0.000 11.017) 11.041 5.784 ( 0.587 0.000 0.291) 0.655 6.082 ( -4.289 -0.000 -6.641) 7.906 6.324 ( -1.519 -0.000 -8.044) 8.186 6.431 ( -1.161 -0.000 0.786) 1.402 6.609 ( 12.574 0.000 6.906) 14.346 7.117 ( -0.170 -0.000 0.897) 0.913 7.173 ( -1.603 -0.000 1.643) 2.295 7.225 ( 1.739 0.000 -6.182) 6.422 7.292 ( -7.903 -0.000 -7.577) 10.949 7.738 ( 6.075 0.000 -5.353) 8.097 7.887 ( 9.870 0.000 7.443) 12.362 7.940 ( -6.753 -0.000 1.767) 6.981 8.153 ( -0.961 -0.000 5.032) 5.123 8.277 ( 1.930 0.000 1.698) 2.571 8.338 ( -2.319 -0.000 0.314) 2.340 8.452 ( 3.754 0.000 -2.849) 4.713 10.061 ( -2.846 -0.000 -2.150) 3.567 10.957 ( 0.544 0.000 -0.014) 0.544 12.731 ( -0.358 -0.000 -1.207) 1.258 13.783 ( 3.721 0.000 10.608) 11.242 14.192 ( -0.524 -0.000 -4.120) 4.153 14.238 ( -2.559 -0.000 -9.013) 9.369 14.271 ( -4.574 -0.000 1.369) 4.774 ======================= Grid point 298 (147/160) ======================= q-point: (-0.44 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -1.224 2.201 4.721) 5.351 2.834 ( -3.830 2.914 -2.140) 5.267 3.008 ( 0.022 10.575 -0.424) 10.584 3.431 ( -2.065 4.374 8.867) 10.100 3.464 ( -8.048 1.859 5.853) 10.123 3.527 ( -9.483 -1.742 0.741) 9.670 3.634 ( 7.785 -5.901 0.995) 9.820 3.901 ( -0.941 -16.103 -0.672) 16.144 4.014 ( 7.760 0.542 -5.012) 9.254 4.270 ( -0.120 -6.664 -7.354) 9.925 4.519 ( 5.067 2.663 -6.945) 9.000 4.689 ( 11.014 -4.616 12.397) 17.214 5.021 ( -12.906 1.828 -6.585) 14.604 5.422 ( 5.946 4.649 -7.335) 10.525 5.515 ( 6.083 10.708 9.956) 15.836 5.595 ( 2.325 2.192 4.226) 5.298 5.790 ( -1.949 2.195 -2.734) 4.012 5.986 ( -0.389 8.614 -3.642) 9.360 6.271 ( -1.179 -1.418 -4.870) 5.207 6.406 ( 0.452 3.142 -0.777) 3.268 6.877 ( 7.936 -3.241 6.986) 11.059 7.064 ( -1.558 6.272 1.671) 6.675 7.102 ( -6.447 -5.667 -4.147) 9.533 7.213 ( -1.247 -7.219 -1.238) 7.430 7.257 ( 0.399 -7.462 -2.907) 8.018 7.747 ( -5.729 2.597 -0.582) 6.317 7.881 ( 3.463 0.845 -0.346) 3.581 8.059 ( 6.120 -1.823 5.070) 8.154 8.150 ( -3.594 -2.757 -1.489) 4.768 8.285 ( -0.348 1.950 3.692) 4.190 8.336 ( -1.154 -1.611 3.552) 4.068 8.486 ( -0.215 -4.972 -3.392) 6.022 10.015 ( -1.073 0.728 -0.698) 1.473 10.966 ( 0.357 -0.262 -0.140) 0.465 12.721 ( -0.408 -0.203 -0.460) 0.648 13.899 ( 4.344 1.686 11.000) 11.946 14.121 ( -4.071 2.228 -10.304) 11.301 14.152 ( -2.631 1.370 -0.269) 2.978 14.231 ( 1.797 2.460 -0.946) 3.190 ======================= Grid point 299 (148/160) ======================= q-point: (-0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -6.915 7.013 5.692) 11.375 2.753 ( -2.496 -0.553 9.839) 10.166 3.041 ( 10.472 13.244 -5.358) 17.714 3.157 ( -20.595 -0.462 10.345) 23.052 3.373 ( -5.186 3.451 5.533) 8.332 3.522 ( -4.188 -7.817 -0.297) 8.873 3.826 ( -4.332 -1.763 0.929) 4.768 3.947 ( 4.235 2.787 -8.310) 9.734 4.116 ( 3.498 -18.800 -2.755) 19.320 4.298 ( 0.191 -12.208 -3.693) 12.756 4.612 ( 3.937 3.997 -10.515) 11.918 4.740 ( -3.354 -0.801 -5.879) 6.815 5.029 ( 7.294 -4.494 17.167) 19.186 5.458 ( 7.915 9.845 -8.920) 15.464 5.588 ( 10.792 13.344 -3.869) 17.592 5.621 ( 0.776 12.075 -6.888) 13.923 5.654 ( 7.940 0.594 -0.696) 7.993 5.885 ( 3.545 13.616 0.151) 14.070 6.223 ( -4.748 0.136 4.288) 6.399 6.414 ( 1.918 -1.465 -3.200) 4.008 6.852 ( -7.943 -2.075 -0.463) 8.222 7.042 ( 4.574 5.288 2.667) 7.483 7.201 ( -2.677 -5.606 4.770) 7.833 7.231 ( -1.053 -10.697 -3.603) 11.337 7.343 ( -0.617 -10.065 -2.812) 10.468 7.613 ( -6.643 0.723 5.249) 8.497 7.945 ( 4.999 1.512 -2.188) 5.663 8.061 ( -5.664 -1.509 -5.522) 8.053 8.179 ( 3.842 0.404 2.985) 4.882 8.283 ( -1.014 -0.362 3.193) 3.370 8.333 ( -3.054 -1.071 3.042) 4.441 8.513 ( -4.789 -11.507 -0.665) 12.481 10.009 ( 1.214 1.297 1.288) 2.194 10.970 ( -0.154 -0.589 -0.595) 0.851 12.718 ( -0.304 -0.446 0.343) 0.639 13.955 ( -4.229 4.264 -7.971) 9.980 14.010 ( 3.926 3.518 7.812) 9.424 14.099 ( -1.557 2.413 2.449) 3.774 14.264 ( 6.305 3.769 -1.743) 7.550 ======================= Grid point 300 (149/160) ======================= q-point: (-0.22 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 1.075 -1.470 9.082) 9.263 2.801 ( -3.601 -7.206 12.381) 14.771 2.909 ( -10.219 1.502 2.919) 10.733 3.033 ( 3.390 11.675 1.068) 12.204 3.302 ( -1.273 4.828 1.636) 5.254 3.521 ( -4.538 -8.286 -0.176) 9.449 3.610 ( -15.190 -1.685 1.071) 15.321 3.951 ( 0.628 3.449 -17.298) 17.649 4.252 ( -8.115 -13.550 -10.528) 18.981 4.399 ( -0.810 -1.212 -8.887) 9.005 4.506 ( 7.550 -0.045 8.781) 11.581 4.792 ( 3.734 -0.013 -3.011) 4.797 5.154 ( 1.119 3.351 -2.178) 4.151 5.384 ( 7.322 15.809 -12.812) 21.626 5.507 ( 5.926 0.923 5.925) 8.431 5.757 ( 13.288 8.764 3.680) 16.338 5.809 ( 7.651 2.165 -0.848) 7.997 5.880 ( 11.474 8.176 -5.570) 15.150 6.174 ( -2.799 1.301 3.243) 4.477 6.476 ( 4.953 -4.605 3.556) 7.641 6.776 ( -6.776 -3.022 5.629) 9.313 7.040 ( -1.675 5.077 -2.335) 5.834 7.171 ( -4.980 -3.232 -4.905) 7.701 7.221 ( -7.120 -5.657 2.932) 9.554 7.383 ( -1.431 -6.433 -3.582) 7.501 7.630 ( 1.717 -1.805 7.697) 8.090 7.897 ( -7.363 -3.275 -7.925) 11.303 8.048 ( 4.757 0.180 -0.629) 4.802 8.196 ( -0.570 1.180 -1.657) 2.112 8.297 ( -3.638 -0.420 3.168) 4.842 8.301 ( -0.415 -0.563 2.145) 2.256 8.530 ( -7.952 -13.134 1.172) 15.399 10.032 ( 1.864 1.891 2.384) 3.568 10.965 ( -0.867 -0.887 -0.938) 1.555 12.722 ( -0.186 -0.557 0.767) 0.966 13.790 ( -3.422 6.044 -8.331) 10.846 14.067 ( 2.334 3.463 4.637) 6.240 14.114 ( 2.523 2.025 7.994) 8.624 14.334 ( 7.693 3.668 -2.671) 8.931 ======================= Grid point 301 (150/160) ======================= q-point: (-0.11 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -2.481 -4.555 2.981) 5.983 2.781 ( -4.795 -3.973 0.878) 6.289 2.941 ( -1.036 -7.119 3.539) 8.018 3.008 ( 2.208 5.698 6.812) 9.151 3.250 ( -1.746 0.882 0.392) 1.995 3.424 ( -6.516 4.915 -3.268) 8.792 3.564 ( 1.458 -2.340 1.149) 2.986 3.774 ( -1.754 3.894 -8.837) 9.815 4.023 ( -16.848 -10.062 -13.088) 23.588 4.399 ( 4.476 3.219 -8.856) 10.432 4.693 ( 7.134 5.260 11.519) 14.534 4.818 ( 2.217 -0.247 -1.692) 2.800 5.142 ( 1.517 -1.548 -5.374) 5.794 5.362 ( 7.556 6.996 -5.506) 11.677 5.569 ( -3.170 4.030 2.037) 5.517 5.856 ( 5.512 0.166 -5.298) 7.647 5.890 ( 7.574 7.359 10.841) 15.135 5.978 ( 11.204 1.392 -8.961) 14.415 6.232 ( 8.803 1.621 5.964) 10.756 6.615 ( -7.183 -3.049 9.312) 12.149 6.733 ( -1.164 1.240 4.223) 4.553 6.928 ( -1.970 -0.554 -0.778) 2.189 7.074 ( -0.685 0.667 -7.666) 7.725 7.190 ( -6.155 -4.841 1.865) 8.050 7.379 ( -3.094 -2.514 -1.824) 4.384 7.739 ( 6.643 0.237 4.949) 8.288 7.773 ( -8.608 -7.770 -7.143) 13.619 8.120 ( 2.459 -0.940 -0.109) 2.635 8.140 ( -3.324 0.704 -3.526) 4.897 8.252 ( -3.311 -1.548 -0.816) 3.745 8.290 ( -0.748 3.636 2.696) 4.587 8.511 ( -7.849 -8.882 1.838) 11.995 10.055 ( 1.628 1.730 2.273) 3.288 10.951 ( -1.106 -0.985 -1.186) 1.898 12.729 ( -0.031 -0.529 0.625) 0.820 13.655 ( -1.741 5.493 -5.515) 7.976 14.111 ( 3.594 1.825 3.588) 5.396 14.184 ( 2.094 0.988 8.290) 8.607 14.404 ( 6.618 2.842 -4.293) 8.385 ======================= Grid point 307 (151/160) ======================= q-point: ( 0.56 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -11.811 -0.000 -1.169) 11.869 2.731 ( -2.256 -0.000 5.150) 5.622 3.126 ( -13.319 -0.000 9.264) 16.224 3.272 ( 4.577 0.000 1.920) 4.964 3.370 ( -6.588 -0.000 5.411) 8.525 3.450 ( -3.721 -0.000 6.820) 7.769 3.829 ( 0.040 0.000 3.618) 3.619 3.848 ( 0.822 0.000 -3.667) 3.758 4.056 ( 2.192 0.000 -17.291) 17.429 4.094 ( 2.750 0.000 0.560) 2.806 4.673 ( 12.157 0.000 -8.519) 14.844 4.721 ( -9.939 -0.000 -12.730) 16.151 4.973 ( 9.306 0.000 20.219) 22.258 5.564 ( 16.055 0.000 -11.895) 19.982 5.639 ( 0.398 0.000 -2.529) 2.560 5.737 ( 10.586 0.000 -1.205) 10.655 5.782 ( -2.459 -0.000 3.662) 4.411 6.039 ( 2.369 0.000 -2.749) 3.629 6.213 ( -1.053 -0.000 -3.002) 3.181 6.435 ( 0.621 0.000 0.292) 0.686 6.773 ( -14.577 -0.000 -7.900) 16.580 7.082 ( -2.989 -0.000 5.352) 6.130 7.105 ( 7.959 0.000 6.911) 10.541 7.182 ( -1.611 -0.000 -3.537) 3.887 7.215 ( 3.793 0.000 1.504) 4.080 7.628 ( -9.456 -0.000 4.144) 10.324 7.972 ( 5.807 0.000 -1.314) 5.953 8.027 ( -6.304 -0.000 -5.587) 8.423 8.163 ( 3.659 0.000 3.047) 4.762 8.294 ( -1.840 -0.000 0.266) 1.859 8.320 ( -2.752 -0.000 6.232) 6.812 8.414 ( -2.855 -0.000 -2.493) 3.790 10.023 ( 1.313 0.000 1.377) 1.903 10.966 ( 0.001 0.000 -0.764) 0.764 12.714 ( -0.319 -0.000 0.396) 0.508 13.994 ( -3.168 -0.000 -5.399) 6.260 14.046 ( 2.633 0.000 5.257) 5.879 14.123 ( -2.024 -0.000 2.518) 3.230 14.302 ( 5.724 0.000 -1.692) 5.968 ======================= Grid point 309 (152/160) ======================= q-point: (-0.33 0.56 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -6.630 -2.073 4.746) 8.413 2.721 ( -3.896 -1.525 4.563) 6.190 2.881 ( -15.883 -1.315 7.135) 17.462 3.307 ( -2.114 6.503 4.272) 8.062 3.383 ( 5.829 7.460 5.883) 11.147 3.463 ( -2.806 2.124 2.340) 4.226 3.607 ( -11.455 2.846 0.752) 11.827 3.807 ( -11.243 -14.325 -14.161) 23.068 4.054 ( 6.776 -8.061 -9.579) 14.236 4.368 ( 14.067 -0.126 4.891) 14.893 4.517 ( -3.034 1.139 -10.171) 10.675 4.790 ( 6.311 -0.494 -6.057) 8.762 5.223 ( 6.363 1.914 15.373) 16.747 5.554 ( -1.365 5.181 -6.417) 8.359 5.680 ( -2.001 9.386 -4.207) 10.478 5.800 ( 15.854 0.070 -12.519) 20.201 5.881 ( 12.044 3.018 -8.989) 15.328 6.066 ( 5.328 7.701 -0.241) 9.367 6.203 ( 0.538 0.646 8.293) 8.336 6.424 ( -0.343 1.257 1.131) 1.725 6.591 ( -9.807 -13.636 -2.537) 16.987 7.072 ( -5.872 -3.074 4.862) 8.220 7.114 ( -0.029 2.634 -1.305) 2.940 7.234 ( -3.419 2.335 4.037) 5.783 7.265 ( 2.822 -4.813 -1.170) 5.701 7.586 ( 1.537 -1.832 7.860) 8.216 7.852 ( -10.596 -1.347 -9.424) 14.244 8.041 ( 3.516 -0.115 -1.009) 3.659 8.217 ( -0.263 -1.194 -1.314) 1.796 8.250 ( -2.922 -1.841 0.682) 3.520 8.300 ( -2.870 -0.384 4.353) 5.228 8.391 ( -0.743 -1.450 0.970) 1.897 10.060 ( 1.970 0.874 2.736) 3.483 10.957 ( -0.566 -0.124 -1.153) 1.291 12.715 ( -0.182 -0.205 1.040) 1.076 13.870 ( -3.722 2.211 -9.794) 10.708 14.117 ( 0.443 1.675 5.322) 5.597 14.136 ( 1.590 0.305 8.415) 8.569 14.386 ( 6.641 1.551 -2.512) 7.268 ======================= Grid point 310 (153/160) ======================= q-point: (-0.22 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 0.029 -8.162 5.069) 9.608 2.603 ( -12.775 -1.242 0.700) 12.854 2.797 ( -4.737 -6.493 7.369) 10.904 3.201 ( -4.354 6.631 3.618) 8.719 3.312 ( -6.472 1.327 -0.378) 6.617 3.458 ( 3.129 2.159 -1.396) 4.050 3.527 ( -1.536 -4.304 8.208) 9.395 3.679 ( -4.034 0.247 -10.257) 11.024 4.129 ( 0.114 8.858 -12.992) 15.725 4.375 ( 4.983 -5.153 -7.918) 10.681 4.711 ( 9.896 -4.805 5.482) 12.291 4.821 ( 1.880 2.458 -0.615) 3.155 5.178 ( -2.214 8.452 -6.982) 11.185 5.529 ( -3.879 7.167 -2.339) 8.479 5.570 ( -0.247 -3.063 6.716) 7.386 5.895 ( 3.998 3.178 -14.561) 15.431 5.956 ( 5.669 -0.047 -0.575) 5.698 6.063 ( 6.029 7.462 -2.944) 10.035 6.305 ( 8.810 4.427 7.675) 12.495 6.498 ( -4.196 -9.348 7.490) 12.693 6.655 ( 5.466 -6.829 4.317) 9.754 6.978 ( -2.921 4.500 -1.603) 5.599 7.099 ( -3.113 -1.485 -1.153) 3.636 7.130 ( -2.668 1.720 -0.503) 3.214 7.333 ( 0.059 -1.893 0.581) 1.981 7.645 ( -10.934 -5.489 -8.697) 15.011 7.722 ( 6.316 -1.595 5.595) 8.588 8.074 ( -0.627 -2.162 -2.542) 3.396 8.169 ( -2.280 1.072 -0.371) 2.547 8.231 ( -2.039 -1.593 -2.176) 3.381 8.310 ( -1.528 -2.979 5.017) 6.031 8.401 ( -0.005 -0.214 0.598) 0.635 10.089 ( 1.016 1.539 2.710) 3.278 10.940 ( -0.910 -0.262 -0.986) 1.367 12.721 ( -0.062 -0.304 1.144) 1.186 13.740 ( -2.838 3.318 -8.173) 9.266 14.144 ( 1.183 1.613 5.667) 6.010 14.192 ( 0.074 -0.071 8.056) 8.057 14.453 ( 5.537 2.038 -4.125) 7.199 ======================= Grid point 311 (154/160) ======================= q-point: (-0.11 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -10.274 -10.096 5.431) 15.394 2.662 ( -0.374 -7.237 -2.184) 7.569 2.846 ( -2.081 -6.837 5.826) 9.220 3.122 ( -3.314 1.408 -1.717) 3.989 3.260 ( 0.148 -0.873 0.929) 1.283 3.413 ( -2.098 -1.355 -3.266) 4.111 3.528 ( -0.364 10.958 -10.649) 15.284 3.722 ( 5.972 0.266 6.917) 9.143 3.951 ( 6.968 11.253 -3.687) 13.739 4.439 ( 3.307 0.582 -7.307) 8.042 4.776 ( -2.679 -2.502 -2.106) 4.227 4.906 ( 2.815 3.009 4.955) 6.445 5.096 ( -1.691 -4.297 -3.922) 6.059 5.354 ( -10.110 3.292 0.762) 10.660 5.558 ( -4.381 -0.379 0.970) 4.503 5.862 ( -1.356 -0.749 -0.216) 1.564 6.043 ( 3.539 0.033 2.856) 4.548 6.112 ( 6.045 -0.445 -2.930) 6.732 6.391 ( -5.294 1.385 -3.249) 6.364 6.486 ( 1.882 2.766 17.684) 17.998 6.779 ( -0.003 1.328 -1.647) 2.116 6.916 ( 2.695 3.288 -6.052) 7.396 7.084 ( 0.547 -0.775 -2.375) 2.557 7.186 ( 11.764 0.471 0.318) 11.777 7.300 ( -4.163 -1.590 -1.379) 4.665 7.551 ( -4.072 -6.899 -2.041) 8.267 7.866 ( 5.947 -1.604 2.829) 6.778 8.029 ( -2.872 -1.172 -5.237) 6.087 8.105 ( -5.289 0.933 1.490) 5.574 8.231 ( 1.423 -1.616 -1.168) 2.449 8.320 ( -0.621 2.838 1.305) 3.185 8.414 ( 0.129 -2.710 1.699) 3.202 10.095 ( -0.011 1.087 1.662) 1.986 10.926 ( -0.587 -0.445 -0.550) 0.920 12.730 ( 0.113 -0.325 0.707) 0.786 13.634 ( -2.149 2.704 -5.240) 6.276 14.173 ( -0.103 0.061 3.709) 3.711 14.235 ( -0.681 -1.103 8.054) 8.157 14.478 ( 2.943 1.791 -6.032) 6.947 ======================= Grid point 318 (155/160) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -1.357 -0.000 5.800) 5.956 2.652 ( -7.342 -0.000 0.415) 7.354 2.695 ( -10.186 -0.000 5.422) 11.539 3.298 ( -11.092 -0.000 -4.837) 12.101 3.306 ( -12.710 -0.000 4.072) 13.346 3.366 ( -4.849 -0.000 -6.876) 8.414 3.492 ( 2.951 0.000 10.243) 10.659 3.897 ( 16.712 0.000 8.308) 18.663 4.028 ( 4.226 0.000 -8.803) 9.764 4.390 ( -1.853 -0.000 -14.121) 14.242 4.645 ( 11.106 0.000 -1.993) 11.284 4.840 ( 3.839 0.000 0.049) 3.840 5.390 ( 1.961 0.000 7.210) 7.472 5.418 ( -8.627 -0.000 -14.712) 17.055 5.621 ( -10.277 -0.000 3.753) 10.941 5.932 ( 3.928 0.000 -19.381) 19.775 5.943 ( 5.992 0.000 0.805) 6.046 6.203 ( -9.352 -0.000 5.538) 10.869 6.320 ( 14.446 0.000 -2.587) 14.676 6.366 ( 5.331 0.000 6.504) 8.410 6.580 ( 10.143 0.000 6.725) 12.170 7.018 ( -1.120 -0.000 1.520) 1.888 7.095 ( -2.272 -0.000 -0.485) 2.323 7.149 ( -6.508 -0.000 -1.085) 6.598 7.321 ( 3.081 0.000 3.315) 4.525 7.586 ( -13.094 -0.000 -10.525) 16.799 7.703 ( 7.108 0.000 6.579) 9.685 8.053 ( -0.706 -0.000 -2.510) 2.608 8.181 ( -4.039 -0.000 0.891) 4.136 8.193 ( -0.045 -0.000 -2.019) 2.020 8.281 ( -1.355 -0.000 3.435) 3.693 8.414 ( 1.653 0.000 0.358) 1.691 10.104 ( 0.809 0.000 2.893) 3.004 10.938 ( -0.884 -0.000 -0.999) 1.334 12.718 ( -0.074 -0.000 1.353) 1.355 13.773 ( -3.215 -0.000 -9.200) 9.745 14.164 ( 0.616 0.000 7.045) 7.072 14.187 ( -1.024 -0.000 7.391) 7.461 14.473 ( 5.075 0.000 -4.084) 6.514 ======================= Grid point 319 (156/160) ======================= q-point: (-0.22 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -15.132 1.500 0.535) 15.216 2.502 ( -10.616 -9.240 -2.782) 14.347 2.735 ( 7.212 -3.199 12.280) 14.596 3.100 ( -4.590 -1.417 -6.416) 8.015 3.219 ( -1.841 -0.959 5.715) 6.080 3.364 ( 0.024 -1.741 -1.063) 2.040 3.656 ( 7.953 -1.887 11.071) 13.761 3.910 ( 6.417 20.414 -3.642) 21.707 4.206 ( 6.459 6.701 -4.208) 10.214 4.366 ( 6.253 -8.737 -4.923) 11.818 4.665 ( -2.281 -4.363 -16.011) 16.751 4.940 ( 3.536 0.840 6.656) 7.584 5.129 ( -9.034 6.178 -10.215) 14.971 5.365 ( -13.152 -1.954 -0.015) 13.296 5.486 ( -8.073 -5.527 3.349) 10.341 5.849 ( -4.776 -0.348 -5.354) 7.183 6.036 ( 2.062 -0.260 8.189) 8.449 6.101 ( -4.319 -0.597 7.139) 8.365 6.451 ( 2.238 3.591 -0.647) 4.281 6.551 ( 11.157 2.528 6.966) 13.394 6.766 ( 2.484 -1.013 -2.559) 3.707 7.002 ( -0.271 4.289 -3.886) 5.794 7.084 ( 2.911 -0.064 -2.554) 3.874 7.125 ( 7.773 -4.438 -6.124) 10.845 7.331 ( -0.143 2.740 0.952) 2.904 7.436 ( -1.430 -4.285 0.190) 4.521 7.846 ( 6.174 -0.458 4.090) 7.420 8.006 ( -2.774 -0.742 -2.860) 4.053 8.124 ( -4.423 0.874 2.236) 5.033 8.193 ( 0.298 -2.041 -2.776) 3.459 8.314 ( 2.506 -1.490 3.193) 4.324 8.418 ( 0.048 1.418 -1.378) 1.978 10.113 ( -0.924 0.622 1.923) 2.222 10.921 ( -0.697 -0.093 -0.170) 0.724 12.726 ( 0.054 -0.110 1.148) 1.155 13.670 ( -3.154 1.010 -7.468) 8.170 14.179 ( -3.116 0.471 5.529) 6.364 14.213 ( -0.876 -0.941 7.929) 8.033 14.503 ( 2.251 0.735 -6.219) 6.655 ======================= Grid point 320 (157/160) ======================= q-point: (-0.11 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -10.420 -12.125 14.273) 21.431 2.403 ( -15.570 -17.901 1.438) 23.769 2.997 ( 11.919 5.834 6.459) 14.759 3.029 ( 3.303 1.990 -4.890) 6.227 3.293 ( 6.541 -0.111 0.503) 6.561 3.398 ( 5.524 -1.424 -7.294) 9.260 3.682 ( 0.830 16.676 -3.391) 17.037 3.913 ( 6.797 3.544 3.345) 8.364 4.218 ( 10.284 13.353 -1.177) 16.896 4.434 ( -0.097 -3.194 -0.409) 3.221 4.630 ( -5.180 -8.573 -6.693) 12.047 4.865 ( -10.042 3.436 -7.442) 12.963 4.945 ( -8.681 -3.775 0.470) 9.478 5.229 ( -5.468 -4.620 4.980) 8.720 5.422 ( -7.762 -3.529 0.542) 8.544 5.755 ( -9.051 -5.400 6.620) 12.446 6.057 ( -3.307 2.597 7.986) 9.025 6.144 ( -2.325 -1.423 9.043) 9.445 6.391 ( 1.879 3.376 -4.262) 5.753 6.598 ( -13.016 -2.875 -14.221) 19.492 6.718 ( 8.099 6.950 11.206) 15.475 6.955 ( 3.651 2.952 -10.697) 11.682 7.147 ( 4.062 -1.398 -6.335) 7.655 7.286 ( 2.675 -1.582 0.941) 3.247 7.340 ( 9.299 0.952 -5.755) 10.977 7.600 ( 12.775 1.645 9.977) 16.293 7.916 ( -2.462 0.652 0.001) 2.547 7.968 ( -0.486 0.444 1.515) 1.652 8.072 ( -0.282 -0.679 1.494) 1.665 8.219 ( 1.815 -4.001 -3.259) 5.470 8.328 ( -2.348 2.917 -1.786) 4.149 8.465 ( 7.640 -0.591 3.157) 8.287 10.090 ( -1.927 0.226 0.511) 2.007 10.920 ( 0.239 -0.183 0.805) 0.859 12.734 ( 0.244 -0.141 0.571) 0.637 13.580 ( -2.984 0.323 -4.555) 5.455 14.138 ( -5.092 -1.655 3.251) 6.264 14.237 ( -2.733 -1.433 7.106) 7.747 14.466 ( -1.246 0.583 -8.165) 8.280 ======================= Grid point 328 (158/160) ======================= q-point: (-0.22 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -16.654 -0.000 8.967) 18.915 2.171 ( -16.561 -0.000 6.349) 17.736 3.042 ( -0.728 -0.000 -4.386) 4.446 3.076 ( 24.382 0.000 8.342) 25.769 3.298 ( 6.668 0.000 7.102) 9.741 3.373 ( 5.357 0.000 -7.917) 9.559 3.800 ( 2.295 0.000 7.373) 7.722 4.067 ( 4.143 0.000 -3.873) 5.672 4.348 ( 2.892 0.000 2.453) 3.792 4.395 ( 3.524 0.000 -1.237) 3.735 4.451 ( -4.827 -0.000 -21.569) 22.102 4.897 ( -12.976 -0.000 -10.720) 16.831 5.022 ( 3.482 0.000 2.996) 4.593 5.118 ( -16.391 -0.000 7.066) 17.849 5.356 ( -4.169 -0.000 -1.493) 4.428 5.704 ( -12.271 -0.000 8.734) 15.062 6.101 ( -1.471 -0.000 12.293) 12.380 6.106 ( -0.715 -0.000 11.793) 11.814 6.438 ( -7.194 -0.000 -9.669) 12.052 6.576 ( -11.933 -0.000 -10.588) 15.953 6.793 ( 13.469 0.000 2.405) 13.682 7.009 ( -1.014 -0.000 -2.800) 2.978 7.109 ( 7.841 0.000 -9.179) 12.072 7.253 ( -7.442 -0.000 -5.733) 9.394 7.340 ( 18.965 0.000 -0.195) 18.966 7.638 ( 16.616 0.000 10.099) 19.445 7.917 ( -0.922 -0.000 -0.307) 0.972 7.977 ( 1.369 0.000 3.604) 3.855 8.075 ( -4.205 -0.000 3.020) 5.177 8.163 ( 0.755 0.000 -5.541) 5.592 8.356 ( -1.467 -0.000 -2.322) 2.746 8.458 ( 8.666 0.000 3.179) 9.231 10.093 ( -2.437 -0.000 0.638) 2.519 10.918 ( 0.196 0.000 1.210) 1.226 12.733 ( 0.221 0.000 0.812) 0.841 13.583 ( -3.588 -0.000 -5.848) 6.861 14.122 ( -6.540 -0.000 4.270) 7.811 14.223 ( -2.985 -0.000 7.205) 7.799 14.471 ( -1.726 -0.000 -8.500) 8.674 ======================= Grid point 329 (159/160) ======================= q-point: (-0.11 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -14.894 -11.305 15.435) 24.246 2.095 ( -5.576 -9.741 28.000) 30.166 2.971 ( -3.220 3.106 -5.612) 7.177 3.430 ( 8.496 2.341 -7.498) 11.571 3.431 ( 14.997 1.643 -14.915) 21.215 3.557 ( 24.168 5.995 8.661) 26.364 3.766 ( -7.113 3.432 11.479) 13.933 4.000 ( -0.471 11.718 -7.087) 13.703 4.294 ( -3.321 -6.911 -11.631) 13.931 4.342 ( -9.360 0.697 -9.589) 13.418 4.469 ( -2.271 -9.818 9.716) 13.998 4.683 ( -5.782 -2.404 -4.911) 7.958 4.911 ( 0.741 12.709 5.020) 13.684 5.137 ( -3.301 -7.436 6.419) 10.363 5.309 ( -2.963 -0.099 -0.217) 2.972 5.628 ( -4.518 -5.401 13.153) 14.919 6.066 ( -13.915 2.151 -15.001) 20.574 6.088 ( -4.714 5.030 9.447) 11.695 6.201 ( -6.687 -7.285 -1.023) 9.941 6.450 ( -3.555 -0.685 3.184) 4.821 6.927 ( 0.497 8.164 -0.152) 8.181 7.025 ( 9.438 0.838 -1.661) 9.619 7.086 ( -5.843 -4.598 -9.299) 11.906 7.235 ( 8.733 -3.378 -9.956) 13.667 7.569 ( 7.996 2.054 -0.875) 8.302 7.833 ( -5.182 3.890 0.095) 6.480 7.931 ( 10.246 6.108 10.142) 15.657 8.020 ( 2.062 0.537 3.870) 4.418 8.058 ( 0.198 -2.999 4.172) 5.142 8.176 ( 1.685 -5.207 -11.323) 12.576 8.301 ( 0.137 0.954 2.844) 3.003 8.708 ( 18.373 1.625 4.256) 18.930 10.050 ( -2.637 -0.091 -0.478) 2.682 10.945 ( 2.062 0.150 2.491) 3.237 12.741 ( 0.396 -0.001 0.328) 0.514 13.505 ( -2.901 -0.775 -3.172) 4.368 14.027 ( -7.988 -1.822 2.360) 8.526 14.188 ( -5.863 -1.062 4.953) 7.748 14.360 ( -6.002 -0.382 -9.557) 11.292 ======================= Grid point 338 (160/160) ======================= q-point: (-0.11 -0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -6.560 -0.000 28.402) 29.150 2.186 ( -0.188 -0.000 38.787) 38.788 2.902 ( -2.696 -0.000 -5.807) 6.403 3.414 ( -5.907 -0.000 -6.492) 8.777 3.517 ( 2.118 0.000 -10.594) 10.803 3.752 ( 1.018 0.000 10.854) 10.902 3.971 ( -4.662 -0.000 -16.950) 17.579 4.096 ( 14.149 0.000 -2.830) 14.429 4.111 ( 1.961 0.000 -5.385) 5.731 4.146 ( 3.717 0.000 -14.176) 14.655 4.418 ( -6.936 -0.000 14.816) 16.359 4.635 ( 4.715 0.000 4.363) 6.424 4.973 ( -14.746 -0.000 10.345) 18.013 5.150 ( 12.364 0.000 2.529) 12.620 5.314 ( 1.568 0.000 0.171) 1.577 5.648 ( -14.765 -0.000 -33.099) 36.243 5.696 ( 5.829 0.000 13.215) 14.443 6.036 ( -9.682 -0.000 4.570) 10.707 6.176 ( -3.300 -0.000 12.873) 13.289 6.390 ( -4.212 -0.000 5.616) 7.020 6.799 ( -11.509 -0.000 -12.067) 16.676 7.015 ( 3.663 0.000 -2.556) 4.466 7.173 ( 3.930 0.000 -4.487) 5.965 7.326 ( 8.952 0.000 -3.466) 9.600 7.566 ( -6.177 -0.000 -1.195) 6.292 7.803 ( 0.360 0.000 -1.220) 1.272 7.999 ( -3.168 -0.000 4.640) 5.619 8.040 ( -4.677 -0.000 -12.108) 12.980 8.050 ( -1.513 -0.000 2.083) 2.574 8.165 ( 3.873 0.000 3.907) 5.501 8.527 ( 18.828 0.000 11.688) 22.161 9.069 ( 20.533 0.000 1.921) 20.623 10.008 ( -1.895 -0.000 -0.966) 2.127 11.020 ( 4.893 0.000 3.421) 5.970 12.749 ( 0.458 0.000 0.099) 0.469 13.454 ( -0.946 -0.000 -1.155) 1.493 13.884 ( -9.043 -0.000 0.869) 9.084 14.081 ( -8.371 -0.000 0.518) 8.387 14.179 ( -9.547 -0.000 -6.423) 11.506 =================== 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 3/22113 10.0 2189.314 2113.821 1356.083 -0.000 750.074 -0.000 3/22113 20.0 441.245 535.402 466.645 -0.000 81.722 -0.000 3/22113 30.0 154.389 180.070 172.952 -0.000 24.544 -0.000 3/22113 40.0 77.224 87.844 88.436 -0.000 11.202 -0.000 3/22113 50.0 47.476 52.853 55.495 -0.000 6.378 -0.000 3/22113 60.0 33.206 36.260 39.486 -0.000 4.155 -0.000 3/22113 70.0 25.267 27.132 30.454 -0.000 2.966 -0.000 3/22113 80.0 20.352 21.544 24.784 -0.000 2.261 -0.000 3/22113 90.0 17.057 17.839 20.933 -0.000 1.809 -0.000 3/22113 100.0 14.709 15.228 18.156 -0.000 1.502 -0.000 3/22113 110.0 12.955 13.298 16.060 -0.000 1.283 -0.000 3/22113 120.0 11.595 11.816 14.420 -0.000 1.119 -0.000 3/22113 130.0 10.509 10.644 13.100 -0.000 0.994 -0.000 3/22113 140.0 9.620 9.693 12.014 -0.000 0.894 -0.000 3/22113 150.0 8.879 8.905 11.103 -0.000 0.814 -0.000 3/22113 160.0 8.250 8.242 10.327 -0.000 0.747 -0.000 3/22113 170.0 7.709 7.676 9.658 -0.000 0.691 -0.000 3/22113 180.0 7.239 7.186 9.074 -0.000 0.643 -0.000 3/22113 190.0 6.825 6.758 8.560 -0.000 0.602 -0.000 3/22113 200.0 6.458 6.380 8.103 -0.000 0.566 -0.000 3/22113 210.0 6.131 6.044 7.694 -0.000 0.535 -0.000 3/22113 220.0 5.836 5.743 7.326 -0.000 0.507 -0.000 3/22113 230.0 5.570 5.472 6.993 -0.000 0.482 -0.000 3/22113 240.0 5.328 5.226 6.690 -0.000 0.459 -0.000 3/22113 250.0 5.106 5.002 6.412 -0.000 0.438 -0.000 3/22113 260.0 4.903 4.797 6.158 -0.000 0.420 -0.000 3/22113 270.0 4.716 4.609 5.923 -0.000 0.403 -0.000 3/22113 280.0 4.543 4.435 5.706 -0.000 0.387 -0.000 3/22113 290.0 4.382 4.275 5.505 -0.000 0.373 -0.000 3/22113 300.0 4.233 4.126 5.317 -0.000 0.359 -0.000 3/22113 310.0 4.094 3.987 5.143 -0.000 0.347 -0.000 3/22113 320.0 3.963 3.857 4.979 -0.000 0.335 -0.000 3/22113 330.0 3.841 3.736 4.826 -0.000 0.324 -0.000 3/22113 340.0 3.727 3.622 4.682 -0.000 0.314 -0.000 3/22113 350.0 3.619 3.516 4.547 -0.000 0.305 -0.000 3/22113 360.0 3.517 3.415 4.419 -0.000 0.296 -0.000 3/22113 370.0 3.421 3.320 4.298 -0.000 0.288 -0.000 3/22113 380.0 3.330 3.231 4.184 -0.000 0.280 -0.000 3/22113 390.0 3.244 3.146 4.076 -0.000 0.272 -0.000 3/22113 400.0 3.163 3.065 3.973 -0.000 0.265 -0.000 3/22113 410.0 3.085 2.989 3.876 -0.000 0.258 -0.000 3/22113 420.0 3.011 2.916 3.783 -0.000 0.252 -0.000 3/22113 430.0 2.941 2.847 3.695 -0.000 0.246 -0.000 3/22113 440.0 2.873 2.781 3.610 -0.000 0.240 -0.000 3/22113 450.0 2.809 2.718 3.530 -0.000 0.235 -0.000 3/22113 460.0 2.748 2.658 3.453 -0.000 0.229 -0.000 3/22113 470.0 2.689 2.601 3.379 -0.000 0.224 -0.000 3/22113 480.0 2.633 2.546 3.308 -0.000 0.220 -0.000 3/22113 490.0 2.579 2.493 3.240 -0.000 0.215 -0.000 3/22113 500.0 2.527 2.443 3.175 -0.000 0.211 -0.000 3/22113 510.0 2.478 2.394 3.113 -0.000 0.206 -0.000 3/22113 520.0 2.430 2.348 3.053 -0.000 0.202 -0.000 3/22113 530.0 2.384 2.303 2.995 -0.000 0.198 -0.000 3/22113 540.0 2.340 2.260 2.940 -0.000 0.195 -0.000 3/22113 550.0 2.297 2.218 2.886 -0.000 0.191 -0.000 3/22113 560.0 2.256 2.178 2.835 -0.000 0.188 -0.000 3/22113 570.0 2.217 2.140 2.785 -0.000 0.184 -0.000 3/22113 580.0 2.178 2.103 2.737 -0.000 0.181 -0.000 3/22113 590.0 2.141 2.067 2.691 -0.000 0.178 -0.000 3/22113 600.0 2.106 2.032 2.646 -0.000 0.175 -0.000 3/22113 610.0 2.071 1.998 2.602 -0.000 0.172 -0.000 3/22113 620.0 2.038 1.966 2.560 -0.000 0.169 -0.000 3/22113 630.0 2.005 1.934 2.520 -0.000 0.166 -0.000 3/22113 640.0 1.974 1.904 2.480 -0.000 0.164 -0.000 3/22113 650.0 1.944 1.875 2.442 -0.000 0.161 -0.000 3/22113 660.0 1.914 1.846 2.405 -0.000 0.159 -0.000 3/22113 670.0 1.886 1.818 2.369 -0.000 0.156 -0.000 3/22113 680.0 1.858 1.791 2.334 -0.000 0.154 -0.000 3/22113 690.0 1.831 1.765 2.301 -0.000 0.152 -0.000 3/22113 700.0 1.805 1.740 2.268 -0.000 0.150 -0.000 3/22113 710.0 1.780 1.715 2.236 -0.000 0.147 -0.000 3/22113 720.0 1.755 1.691 2.205 -0.000 0.145 -0.000 3/22113 730.0 1.731 1.668 2.175 -0.000 0.143 -0.000 3/22113 740.0 1.708 1.645 2.145 -0.000 0.141 -0.000 3/22113 750.0 1.685 1.623 2.117 -0.000 0.139 -0.000 3/22113 760.0 1.663 1.602 2.089 -0.000 0.138 -0.000 3/22113 770.0 1.641 1.581 2.062 -0.000 0.136 -0.000 3/22113 780.0 1.620 1.561 2.035 -0.000 0.134 -0.000 3/22113 790.0 1.600 1.541 2.010 -0.000 0.132 -0.000 3/22113 800.0 1.580 1.522 1.985 -0.000 0.131 -0.000 3/22113 810.0 1.560 1.503 1.960 -0.000 0.129 -0.000 3/22113 820.0 1.541 1.484 1.936 -0.000 0.127 -0.000 3/22113 830.0 1.523 1.466 1.913 -0.000 0.126 -0.000 3/22113 840.0 1.505 1.449 1.890 -0.000 0.124 -0.000 3/22113 850.0 1.487 1.432 1.868 -0.000 0.123 -0.000 3/22113 860.0 1.470 1.415 1.846 -0.000 0.121 -0.000 3/22113 870.0 1.453 1.399 1.825 -0.000 0.120 -0.000 3/22113 880.0 1.436 1.383 1.804 -0.000 0.119 -0.000 3/22113 890.0 1.420 1.367 1.784 -0.000 0.117 -0.000 3/22113 900.0 1.404 1.352 1.764 -0.000 0.116 -0.000 3/22113 910.0 1.389 1.337 1.745 -0.000 0.115 -0.000 3/22113 920.0 1.374 1.323 1.726 -0.000 0.113 -0.000 3/22113 930.0 1.359 1.308 1.708 -0.000 0.112 -0.000 3/22113 940.0 1.345 1.294 1.689 -0.000 0.111 -0.000 3/22113 950.0 1.331 1.281 1.672 -0.000 0.110 -0.000 3/22113 960.0 1.317 1.267 1.654 -0.000 0.109 -0.000 3/22113 970.0 1.303 1.254 1.637 -0.000 0.108 -0.000 3/22113 980.0 1.290 1.242 1.621 -0.000 0.106 -0.000 3/22113 990.0 1.277 1.229 1.604 -0.000 0.105 -0.000 3/22113 1000.0 1.264 1.217 1.588 -0.000 0.104 -0.000 3/22113 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:41:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|