----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:15:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.084362420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.825328190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.677383100000002 Atomic positions (fractional): *1 Tm 0.40024788746436 0.75000000000000 0.03950082275187 168.934 2 Tm 0.90024788746436 0.75000000000000 0.46049917724813 168.934 3 Tm 0.59975211253564 0.25000000000000 0.96049917724813 168.934 4 Tm 0.09975211253564 0.25000000000000 0.53950082275187 168.934 *5 Se 0.29756580297568 0.75000000000000 0.63296821831120 78.960 6 Se 0.79756580297568 0.75000000000000 0.86703178168880 78.960 7 Se 0.70243419702432 0.25000000000000 0.36703178168880 78.960 8 Se 0.20243419702432 0.25000000000000 0.13296821831120 78.960 *9 Cl 0.06058036725091 0.75000000000000 0.18190762542531 35.453 10 Cl 0.43941963274909 0.25000000000000 0.68190762542532 35.453 11 Cl 0.56058036725091 0.75000000000000 0.31809237457468 35.453 12 Cl 0.93941963274909 0.25000000000000 0.81809237457468 35.453 *13 O 0.25023041766903 0.75000000000000 0.82382739570775 15.999 *14 O 0.14290055538776 0.57049731121496 0.56589499162117 15.999 15 O 0.14290055538776 0.92950268878504 0.56589499162117 15.999 16 O 0.24976958233097 0.25000000000000 0.32382739570775 15.999 17 O 0.35709944461224 0.07049731121496 0.06589499162117 15.999 18 O 0.35709944461224 0.42950268878504 0.06589499162117 15.999 19 O 0.74976958233097 0.25000000000000 0.17617260429225 15.999 20 O 0.64290055538776 0.92950268878504 0.93410500837883 15.999 21 O 0.75023041766903 0.75000000000000 0.67617260429225 15.999 22 O 0.85709944461224 0.42950268878504 0.43410500837883 15.999 23 O 0.85709944461224 0.07049731121496 0.43410500837883 15.999 24 O 0.64290055538776 0.57049731121496 0.93410500837883 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.084362420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.825328190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.677383100000002 Atomic positions (fractional): *1 Tm 0.40024788746436 0.75000000000000 0.03950082275187 168.934 > 1 2 Tm 0.90024788746436 0.75000000000000 0.46049917724813 168.934 > 2 3 Tm 0.59975211253564 0.25000000000000 0.96049917724813 168.934 > 3 4 Tm 0.09975211253564 0.25000000000000 0.53950082275187 168.934 > 4 *5 Se 0.29756580297568 0.75000000000000 0.63296821831120 78.960 > 5 6 Se 0.79756580297568 0.75000000000000 0.86703178168880 78.960 > 6 7 Se 0.70243419702432 0.25000000000000 0.36703178168880 78.960 > 7 8 Se 0.20243419702432 0.25000000000000 0.13296821831120 78.960 > 8 *9 Cl 0.06058036725091 0.75000000000000 0.18190762542531 35.453 > 9 10 Cl 0.43941963274909 0.25000000000000 0.68190762542532 35.453 > 10 11 Cl 0.56058036725091 0.75000000000000 0.31809237457468 35.453 > 11 12 Cl 0.93941963274909 0.25000000000000 0.81809237457468 35.453 > 12 *13 O 0.25023041766903 0.75000000000000 0.82382739570775 15.999 > 13 *14 O 0.14290055538776 0.57049731121496 0.56589499162117 15.999 > 14 15 O 0.14290055538776 0.92950268878504 0.56589499162117 15.999 > 15 16 O 0.24976958233097 0.25000000000000 0.32382739570775 15.999 > 16 17 O 0.35709944461224 0.07049731121496 0.06589499162117 15.999 > 17 18 O 0.35709944461224 0.42950268878504 0.06589499162117 15.999 > 18 19 O 0.74976958233097 0.25000000000000 0.17617260429225 15.999 > 19 20 O 0.64290055538776 0.92950268878504 0.93410500837883 15.999 > 20 21 O 0.75023041766903 0.75000000000000 0.67617260429225 15.999 > 21 22 O 0.85709944461224 0.42950268878504 0.43410500837883 15.999 > 22 23 O 0.85709944461224 0.07049731121496 0.43410500837883 15.999 > 23 24 O 0.64290055538776 0.57049731121496 0.93410500837883 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.168724839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.650656379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.677383100000002 Atomic positions (fractional): *1 Tm 0.20012394373218 0.37500000000000 0.03950082275187 168.934 > 1 2 Tm 0.70012394373218 0.37500000000000 0.03950082275187 168.934 > 1 3 Tm 0.20012394373218 0.87500000000000 0.03950082275187 168.934 > 1 4 Tm 0.70012394373218 0.87500000000000 0.03950082275187 168.934 > 1 5 Tm 0.45012394373218 0.37500000000000 0.46049917724813 168.934 > 2 6 Tm 0.95012394373218 0.37500000000000 0.46049917724813 168.934 > 2 7 Tm 0.45012394373218 0.87500000000000 0.46049917724813 168.934 > 2 8 Tm 0.95012394373218 0.87500000000000 0.46049917724813 168.934 > 2 9 Tm 0.29987605626782 0.12500000000000 0.96049917724813 168.934 > 3 10 Tm 0.79987605626782 0.12500000000000 0.96049917724813 168.934 > 3 11 Tm 0.29987605626782 0.62500000000000 0.96049917724813 168.934 > 3 12 Tm 0.79987605626782 0.62500000000000 0.96049917724813 168.934 > 3 13 Tm 0.04987605626782 0.12500000000000 0.53950082275187 168.934 > 4 14 Tm 0.54987605626782 0.12500000000000 0.53950082275187 168.934 > 4 15 Tm 0.04987605626782 0.62500000000000 0.53950082275187 168.934 > 4 16 Tm 0.54987605626782 0.62500000000000 0.53950082275187 168.934 > 4 *17 Se 0.14878290148784 0.37500000000000 0.63296821831120 78.960 > 5 18 Se 0.64878290148784 0.37500000000000 0.63296821831120 78.960 > 5 19 Se 0.14878290148784 0.87500000000000 0.63296821831120 78.960 > 5 20 Se 0.64878290148784 0.87500000000000 0.63296821831120 78.960 > 5 21 Se 0.39878290148784 0.37500000000000 0.86703178168880 78.960 > 6 22 Se 0.89878290148784 0.37500000000000 0.86703178168880 78.960 > 6 23 Se 0.39878290148784 0.87500000000000 0.86703178168880 78.960 > 6 24 Se 0.89878290148784 0.87500000000000 0.86703178168880 78.960 > 6 25 Se 0.35121709851216 0.12500000000000 0.36703178168880 78.960 > 7 26 Se 0.85121709851216 0.12500000000000 0.36703178168880 78.960 > 7 27 Se 0.35121709851216 0.62500000000000 0.36703178168880 78.960 > 7 28 Se 0.85121709851216 0.62500000000000 0.36703178168880 78.960 > 7 29 Se 0.10121709851216 0.12500000000000 0.13296821831120 78.960 > 8 30 Se 0.60121709851216 0.12500000000000 0.13296821831120 78.960 > 8 31 Se 0.10121709851216 0.62500000000000 0.13296821831120 78.960 > 8 32 Se 0.60121709851216 0.62500000000000 0.13296821831120 78.960 > 8 *33 Cl 0.03029018362546 0.37500000000000 0.18190762542531 35.453 > 9 34 Cl 0.53029018362546 0.37500000000000 0.18190762542531 35.453 > 9 35 Cl 0.03029018362546 0.87500000000000 0.18190762542531 35.453 > 9 36 Cl 0.53029018362546 0.87500000000000 0.18190762542531 35.453 > 9 37 Cl 0.21970981637454 0.12500000000000 0.68190762542532 35.453 > 10 38 Cl 0.71970981637454 0.12500000000000 0.68190762542532 35.453 > 10 39 Cl 0.21970981637454 0.62500000000000 0.68190762542532 35.453 > 10 40 Cl 0.71970981637454 0.62500000000000 0.68190762542532 35.453 > 10 41 Cl 0.28029018362546 0.37500000000000 0.31809237457468 35.453 > 11 42 Cl 0.78029018362546 0.37500000000000 0.31809237457468 35.453 > 11 43 Cl 0.28029018362546 0.87500000000000 0.31809237457468 35.453 > 11 44 Cl 0.78029018362546 0.87500000000000 0.31809237457468 35.453 > 11 45 Cl 0.46970981637454 0.12500000000000 0.81809237457468 35.453 > 12 46 Cl 0.96970981637454 0.12500000000000 0.81809237457468 35.453 > 12 47 Cl 0.46970981637454 0.62500000000000 0.81809237457468 35.453 > 12 48 Cl 0.96970981637454 0.62500000000000 0.81809237457468 35.453 > 12 *49 O 0.12511520883452 0.37500000000000 0.82382739570775 15.999 > 13 50 O 0.62511520883452 0.37500000000000 0.82382739570775 15.999 > 13 51 O 0.12511520883452 0.87500000000000 0.82382739570775 15.999 > 13 52 O 0.62511520883452 0.87500000000000 0.82382739570775 15.999 > 13 *53 O 0.07145027769388 0.28524865560748 0.56589499162117 15.999 > 14 54 O 0.57145027769388 0.28524865560748 0.56589499162117 15.999 > 14 55 O 0.07145027769388 0.78524865560748 0.56589499162117 15.999 > 14 56 O 0.57145027769388 0.78524865560748 0.56589499162117 15.999 > 14 57 O 0.07145027769388 0.46475134439252 0.56589499162117 15.999 > 15 58 O 0.57145027769388 0.46475134439252 0.56589499162117 15.999 > 15 59 O 0.07145027769388 0.96475134439252 0.56589499162117 15.999 > 15 60 O 0.57145027769388 0.96475134439252 0.56589499162117 15.999 > 15 61 O 0.12488479116548 0.12500000000000 0.32382739570775 15.999 > 16 62 O 0.62488479116548 0.12500000000000 0.32382739570775 15.999 > 16 63 O 0.12488479116548 0.62500000000000 0.32382739570775 15.999 > 16 64 O 0.62488479116548 0.62500000000000 0.32382739570775 15.999 > 16 65 O 0.17854972230612 0.03524865560748 0.06589499162117 15.999 > 17 66 O 0.67854972230612 0.03524865560748 0.06589499162117 15.999 > 17 67 O 0.17854972230612 0.53524865560748 0.06589499162117 15.999 > 17 68 O 0.67854972230612 0.53524865560748 0.06589499162117 15.999 > 17 69 O 0.17854972230612 0.21475134439252 0.06589499162117 15.999 > 18 70 O 0.67854972230612 0.21475134439252 0.06589499162117 15.999 > 18 71 O 0.17854972230612 0.71475134439252 0.06589499162117 15.999 > 18 72 O 0.67854972230612 0.71475134439252 0.06589499162117 15.999 > 18 73 O 0.37488479116548 0.12500000000000 0.17617260429225 15.999 > 19 74 O 0.87488479116548 0.12500000000000 0.17617260429225 15.999 > 19 75 O 0.37488479116548 0.62500000000000 0.17617260429225 15.999 > 19 76 O 0.87488479116548 0.62500000000000 0.17617260429225 15.999 > 19 77 O 0.32145027769388 0.46475134439252 0.93410500837883 15.999 > 20 78 O 0.82145027769388 0.46475134439252 0.93410500837883 15.999 > 20 79 O 0.32145027769388 0.96475134439252 0.93410500837883 15.999 > 20 80 O 0.82145027769388 0.96475134439252 0.93410500837883 15.999 > 20 81 O 0.37511520883452 0.37500000000000 0.67617260429225 15.999 > 21 82 O 0.87511520883452 0.37500000000000 0.67617260429225 15.999 > 21 83 O 0.37511520883452 0.87500000000000 0.67617260429225 15.999 > 21 84 O 0.87511520883452 0.87500000000000 0.67617260429225 15.999 > 21 85 O 0.42854972230612 0.21475134439252 0.43410500837883 15.999 > 22 86 O 0.92854972230612 0.21475134439252 0.43410500837883 15.999 > 22 87 O 0.42854972230612 0.71475134439252 0.43410500837883 15.999 > 22 88 O 0.92854972230612 0.71475134439252 0.43410500837883 15.999 > 22 89 O 0.42854972230612 0.03524865560748 0.43410500837883 15.999 > 23 90 O 0.92854972230612 0.03524865560748 0.43410500837883 15.999 > 23 91 O 0.42854972230612 0.53524865560748 0.43410500837883 15.999 > 23 92 O 0.92854972230612 0.53524865560748 0.43410500837883 15.999 > 23 93 O 0.32145027769388 0.28524865560748 0.93410500837883 15.999 > 24 94 O 0.82145027769388 0.28524865560748 0.93410500837883 15.999 > 24 95 O 0.32145027769388 0.78524865560748 0.93410500837883 15.999 > 24 96 O 0.82145027769388 0.78524865560748 0.93410500837883 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3377796 0.0000000 0.0000000 0.0000000 3.5233783 0.0000000 0.0000000 0.0000000 3.7686632 -------------------------- Born effective charges -------------------------- 1 Tm 3.7681543 0.0000000 0.2290130 0.0000000 4.1387823 0.0000000 0.1211569 0.0000000 4.4084134 2 Tm 3.7681543 0.0000000 -0.2290130 0.0000000 4.1387823 0.0000000 -0.1211569 0.0000000 4.4084134 3 Tm 3.7681543 0.0000000 0.2290130 0.0000000 4.1387823 0.0000000 0.1211569 0.0000000 4.4084134 4 Tm 3.7681543 0.0000000 -0.2290130 0.0000000 4.1387823 0.0000000 -0.1211569 0.0000000 4.4084134 5 Se 2.3432456 0.0000000 0.6877219 0.0000000 3.0448556 0.0000000 0.5382819 0.0000000 3.5393799 6 Se 2.3432456 0.0000000 -0.6877219 0.0000000 3.0448556 0.0000000 -0.5382819 0.0000000 3.5393799 7 Se 2.3432456 0.0000000 0.6877219 0.0000000 3.0448556 0.0000000 0.5382819 0.0000000 3.5393799 8 Se 2.3432456 0.0000000 -0.6877219 0.0000000 3.0448556 0.0000000 -0.5382819 0.0000000 3.5393799 9 Cl -1.4475059 0.0000000 0.5215334 0.0000000 -0.8126625 0.0000000 0.5579440 0.0000000 -1.6337881 10 Cl -1.4475059 0.0000000 -0.5215334 0.0000000 -0.8126625 0.0000000 -0.5579440 0.0000000 -1.6337881 11 Cl -1.4475059 0.0000000 -0.5215334 0.0000000 -0.8126625 0.0000000 -0.5579440 0.0000000 -1.6337881 12 Cl -1.4475059 0.0000000 0.5215334 0.0000000 -0.8126625 0.0000000 0.5579440 0.0000000 -1.6337881 13 O -1.1683795 0.0000000 -0.9352901 0.0000000 -0.7927282 0.0000000 -0.1143762 0.0000000 -3.7194183 14 O -1.7477573 -0.2386348 -0.4026945 -0.7684629 -2.7891236 -0.2993224 -0.8407160 -0.5280509 -1.2972935 15 O -1.7477573 0.2386348 -0.4026945 0.7684629 -2.7891236 0.2993224 -0.8407160 0.5280509 -1.2972935 16 O -1.1683795 0.0000000 0.9352901 0.0000000 -0.7927282 0.0000000 0.1143762 0.0000000 -3.7194183 17 O -1.7477573 0.2386348 0.4026945 0.7684629 -2.7891236 -0.2993224 0.8407160 -0.5280509 -1.2972935 18 O -1.7477573 -0.2386348 0.4026945 -0.7684629 -2.7891236 0.2993224 0.8407160 0.5280509 -1.2972935 19 O -1.1683795 0.0000000 -0.9352901 0.0000000 -0.7927282 0.0000000 -0.1143762 0.0000000 -3.7194183 20 O -1.7477573 0.2386348 0.4026945 0.7684629 -2.7891236 -0.2993224 0.8407160 -0.5280509 -1.2972935 21 O -1.1683795 0.0000000 0.9352901 0.0000000 -0.7927282 0.0000000 0.1143762 0.0000000 -3.7194183 22 O -1.7477573 -0.2386348 -0.4026945 -0.7684629 -2.7891236 -0.2993224 -0.8407160 -0.5280509 -1.2972935 23 O -1.7477573 0.2386348 -0.4026945 0.7684629 -2.7891236 0.2993224 -0.8407160 0.5280509 -1.2972935 24 O -1.7477573 -0.2386348 0.4026945 -0.7684629 -2.7891236 0.2993224 0.8407160 0.5280509 -1.2972935 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1400 Number of blocks in projector: 1400 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.538 Solver_block: 200 / 400 - Time: 1.543 Solver_block: 300 / 400 - Time: 1.547 Solver_block: 400 / 400 - Time: 1.547 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.209 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1400 Number of blocks in projector: 1400 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:15:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:15:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.084362420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.825328190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.677383100000002 Atomic positions (fractional): 1 Tm 0.40024788746436 0.75000000000000 0.03950082275187 168.934 2 Tm 0.90024788746436 0.75000000000000 0.46049917724813 168.934 3 Tm 0.59975211253564 0.25000000000000 0.96049917724813 168.934 4 Tm 0.09975211253564 0.25000000000000 0.53950082275187 168.934 5 Se 0.29756580297568 0.75000000000000 0.63296821831120 78.960 6 Se 0.79756580297568 0.75000000000000 0.86703178168880 78.960 7 Se 0.70243419702432 0.25000000000000 0.36703178168880 78.960 8 Se 0.20243419702432 0.25000000000000 0.13296821831120 78.960 9 Cl 0.06058036725091 0.75000000000000 0.18190762542531 35.453 10 Cl 0.43941963274909 0.25000000000000 0.68190762542532 35.453 11 Cl 0.56058036725091 0.75000000000000 0.31809237457468 35.453 12 Cl 0.93941963274909 0.25000000000000 0.81809237457468 35.453 13 O 0.25023041766903 0.75000000000000 0.82382739570775 15.999 14 O 0.14290055538776 0.57049731121496 0.56589499162117 15.999 15 O 0.14290055538776 0.92950268878504 0.56589499162117 15.999 16 O 0.24976958233097 0.25000000000000 0.32382739570775 15.999 17 O 0.35709944461224 0.07049731121496 0.06589499162117 15.999 18 O 0.35709944461224 0.42950268878504 0.06589499162117 15.999 19 O 0.74976958233097 0.25000000000000 0.17617260429225 15.999 20 O 0.64290055538776 0.92950268878504 0.93410500837883 15.999 21 O 0.75023041766903 0.75000000000000 0.67617260429225 15.999 22 O 0.85709944461224 0.42950268878504 0.43410500837883 15.999 23 O 0.85709944461224 0.07049731121496 0.43410500837883 15.999 24 O 0.64290055538776 0.57049731121496 0.93410500837883 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.168724839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.650656379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.677383100000002 Atomic positions (fractional): 1 Tm 0.20012394373218 0.37500000000000 0.03950082275187 168.934 > 1 2 Tm 0.70012394373218 0.37500000000000 0.03950082275187 168.934 > 1 3 Tm 0.20012394373218 0.87500000000000 0.03950082275187 168.934 > 1 4 Tm 0.70012394373218 0.87500000000000 0.03950082275187 168.934 > 1 5 Tm 0.45012394373218 0.37500000000000 0.46049917724813 168.934 > 5 6 Tm 0.95012394373218 0.37500000000000 0.46049917724813 168.934 > 5 7 Tm 0.45012394373218 0.87500000000000 0.46049917724813 168.934 > 5 8 Tm 0.95012394373218 0.87500000000000 0.46049917724813 168.934 > 5 9 Tm 0.29987605626782 0.12500000000000 0.96049917724813 168.934 > 9 10 Tm 0.79987605626782 0.12500000000000 0.96049917724813 168.934 > 9 11 Tm 0.29987605626782 0.62500000000000 0.96049917724813 168.934 > 9 12 Tm 0.79987605626782 0.62500000000000 0.96049917724813 168.934 > 9 13 Tm 0.04987605626782 0.12500000000000 0.53950082275187 168.934 > 13 14 Tm 0.54987605626782 0.12500000000000 0.53950082275187 168.934 > 13 15 Tm 0.04987605626782 0.62500000000000 0.53950082275187 168.934 > 13 16 Tm 0.54987605626782 0.62500000000000 0.53950082275187 168.934 > 13 17 Se 0.14878290148784 0.37500000000000 0.63296821831120 78.960 > 17 18 Se 0.64878290148784 0.37500000000000 0.63296821831120 78.960 > 17 19 Se 0.14878290148784 0.87500000000000 0.63296821831120 78.960 > 17 20 Se 0.64878290148784 0.87500000000000 0.63296821831120 78.960 > 17 21 Se 0.39878290148784 0.37500000000000 0.86703178168880 78.960 > 21 22 Se 0.89878290148784 0.37500000000000 0.86703178168880 78.960 > 21 23 Se 0.39878290148784 0.87500000000000 0.86703178168880 78.960 > 21 24 Se 0.89878290148784 0.87500000000000 0.86703178168880 78.960 > 21 25 Se 0.35121709851216 0.12500000000000 0.36703178168880 78.960 > 25 26 Se 0.85121709851216 0.12500000000000 0.36703178168880 78.960 > 25 27 Se 0.35121709851216 0.62500000000000 0.36703178168880 78.960 > 25 28 Se 0.85121709851216 0.62500000000000 0.36703178168880 78.960 > 25 29 Se 0.10121709851216 0.12500000000000 0.13296821831120 78.960 > 29 30 Se 0.60121709851216 0.12500000000000 0.13296821831120 78.960 > 29 31 Se 0.10121709851216 0.62500000000000 0.13296821831120 78.960 > 29 32 Se 0.60121709851216 0.62500000000000 0.13296821831120 78.960 > 29 33 Cl 0.03029018362546 0.37500000000000 0.18190762542531 35.453 > 33 34 Cl 0.53029018362546 0.37500000000000 0.18190762542531 35.453 > 33 35 Cl 0.03029018362546 0.87500000000000 0.18190762542531 35.453 > 33 36 Cl 0.53029018362546 0.87500000000000 0.18190762542531 35.453 > 33 37 Cl 0.21970981637454 0.12500000000000 0.68190762542532 35.453 > 37 38 Cl 0.71970981637454 0.12500000000000 0.68190762542532 35.453 > 37 39 Cl 0.21970981637454 0.62500000000000 0.68190762542532 35.453 > 37 40 Cl 0.71970981637454 0.62500000000000 0.68190762542532 35.453 > 37 41 Cl 0.28029018362546 0.37500000000000 0.31809237457468 35.453 > 41 42 Cl 0.78029018362546 0.37500000000000 0.31809237457468 35.453 > 41 43 Cl 0.28029018362546 0.87500000000000 0.31809237457468 35.453 > 41 44 Cl 0.78029018362546 0.87500000000000 0.31809237457468 35.453 > 41 45 Cl 0.46970981637454 0.12500000000000 0.81809237457468 35.453 > 45 46 Cl 0.96970981637454 0.12500000000000 0.81809237457468 35.453 > 45 47 Cl 0.46970981637454 0.62500000000000 0.81809237457468 35.453 > 45 48 Cl 0.96970981637454 0.62500000000000 0.81809237457468 35.453 > 45 49 O 0.12511520883452 0.37500000000000 0.82382739570775 15.999 > 49 50 O 0.62511520883452 0.37500000000000 0.82382739570775 15.999 > 49 51 O 0.12511520883452 0.87500000000000 0.82382739570775 15.999 > 49 52 O 0.62511520883452 0.87500000000000 0.82382739570775 15.999 > 49 53 O 0.07145027769388 0.28524865560748 0.56589499162117 15.999 > 53 54 O 0.57145027769388 0.28524865560748 0.56589499162117 15.999 > 53 55 O 0.07145027769388 0.78524865560748 0.56589499162117 15.999 > 53 56 O 0.57145027769388 0.78524865560748 0.56589499162117 15.999 > 53 57 O 0.07145027769388 0.46475134439252 0.56589499162117 15.999 > 57 58 O 0.57145027769388 0.46475134439252 0.56589499162117 15.999 > 57 59 O 0.07145027769388 0.96475134439252 0.56589499162117 15.999 > 57 60 O 0.57145027769388 0.96475134439252 0.56589499162117 15.999 > 57 61 O 0.12488479116548 0.12500000000000 0.32382739570775 15.999 > 61 62 O 0.62488479116548 0.12500000000000 0.32382739570775 15.999 > 61 63 O 0.12488479116548 0.62500000000000 0.32382739570775 15.999 > 61 64 O 0.62488479116548 0.62500000000000 0.32382739570775 15.999 > 61 65 O 0.17854972230612 0.03524865560748 0.06589499162117 15.999 > 65 66 O 0.67854972230612 0.03524865560748 0.06589499162117 15.999 > 65 67 O 0.17854972230612 0.53524865560748 0.06589499162117 15.999 > 65 68 O 0.67854972230612 0.53524865560748 0.06589499162117 15.999 > 65 69 O 0.17854972230612 0.21475134439252 0.06589499162117 15.999 > 69 70 O 0.67854972230612 0.21475134439252 0.06589499162117 15.999 > 69 71 O 0.17854972230612 0.71475134439252 0.06589499162117 15.999 > 69 72 O 0.67854972230612 0.71475134439252 0.06589499162117 15.999 > 69 73 O 0.37488479116548 0.12500000000000 0.17617260429225 15.999 > 73 74 O 0.87488479116548 0.12500000000000 0.17617260429225 15.999 > 73 75 O 0.37488479116548 0.62500000000000 0.17617260429225 15.999 > 73 76 O 0.87488479116548 0.62500000000000 0.17617260429225 15.999 > 73 77 O 0.32145027769388 0.46475134439252 0.93410500837883 15.999 > 77 78 O 0.82145027769388 0.46475134439252 0.93410500837883 15.999 > 77 79 O 0.32145027769388 0.96475134439252 0.93410500837883 15.999 > 77 80 O 0.82145027769388 0.96475134439252 0.93410500837883 15.999 > 77 81 O 0.37511520883452 0.37500000000000 0.67617260429225 15.999 > 81 82 O 0.87511520883452 0.37500000000000 0.67617260429225 15.999 > 81 83 O 0.37511520883452 0.87500000000000 0.67617260429225 15.999 > 81 84 O 0.87511520883452 0.87500000000000 0.67617260429225 15.999 > 81 85 O 0.42854972230612 0.21475134439252 0.43410500837883 15.999 > 85 86 O 0.92854972230612 0.21475134439252 0.43410500837883 15.999 > 85 87 O 0.42854972230612 0.71475134439252 0.43410500837883 15.999 > 85 88 O 0.92854972230612 0.71475134439252 0.43410500837883 15.999 > 85 89 O 0.42854972230612 0.03524865560748 0.43410500837883 15.999 > 89 90 O 0.92854972230612 0.03524865560748 0.43410500837883 15.999 > 89 91 O 0.42854972230612 0.53524865560748 0.43410500837883 15.999 > 89 92 O 0.92854972230612 0.53524865560748 0.43410500837883 15.999 > 89 93 O 0.32145027769388 0.28524865560748 0.93410500837883 15.999 > 93 94 O 0.82145027769388 0.28524865560748 0.93410500837883 15.999 > 93 95 O 0.32145027769388 0.78524865560748 0.93410500837883 15.999 > 93 96 O 0.82145027769388 0.78524865560748 0.93410500837883 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3377796 0.0000000 0.0000000 0.0000000 3.5233783 0.0000000 0.0000000 0.0000000 3.7686632 -------------------------- Born effective charges -------------------------- 1 Tm 3.7681543 0.0000000 0.2290130 0.0000000 4.1387823 0.0000000 0.1211569 0.0000000 4.4084134 2 Tm 3.7681543 0.0000000 -0.2290130 0.0000000 4.1387823 0.0000000 -0.1211569 0.0000000 4.4084134 3 Tm 3.7681543 0.0000000 0.2290130 0.0000000 4.1387823 0.0000000 0.1211569 0.0000000 4.4084134 4 Tm 3.7681543 0.0000000 -0.2290130 0.0000000 4.1387823 0.0000000 -0.1211569 0.0000000 4.4084134 5 Se 2.3432456 0.0000000 0.6877219 0.0000000 3.0448556 0.0000000 0.5382819 0.0000000 3.5393799 6 Se 2.3432456 0.0000000 -0.6877219 0.0000000 3.0448556 0.0000000 -0.5382819 0.0000000 3.5393799 7 Se 2.3432456 0.0000000 0.6877219 0.0000000 3.0448556 0.0000000 0.5382819 0.0000000 3.5393799 8 Se 2.3432456 0.0000000 -0.6877219 0.0000000 3.0448556 0.0000000 -0.5382819 0.0000000 3.5393799 9 Cl -1.4475059 0.0000000 0.5215334 0.0000000 -0.8126625 0.0000000 0.5579440 0.0000000 -1.6337881 10 Cl -1.4475059 0.0000000 -0.5215334 0.0000000 -0.8126625 0.0000000 -0.5579440 0.0000000 -1.6337881 11 Cl -1.4475059 0.0000000 -0.5215334 0.0000000 -0.8126625 0.0000000 -0.5579440 0.0000000 -1.6337881 12 Cl -1.4475059 0.0000000 0.5215334 0.0000000 -0.8126625 0.0000000 0.5579440 0.0000000 -1.6337881 13 O -1.1683795 0.0000000 -0.9352901 0.0000000 -0.7927282 0.0000000 -0.1143762 0.0000000 -3.7194183 14 O -1.7477573 -0.2386348 -0.4026945 -0.7684629 -2.7891236 -0.2993224 -0.8407160 -0.5280509 -1.2972935 15 O -1.7477573 0.2386348 -0.4026945 0.7684629 -2.7891236 0.2993224 -0.8407160 0.5280509 -1.2972935 16 O -1.1683795 0.0000000 0.9352901 0.0000000 -0.7927282 0.0000000 0.1143762 0.0000000 -3.7194183 17 O -1.7477573 0.2386348 0.4026945 0.7684629 -2.7891236 -0.2993224 0.8407160 -0.5280509 -1.2972935 18 O -1.7477573 -0.2386348 0.4026945 -0.7684629 -2.7891236 0.2993224 0.8407160 0.5280509 -1.2972935 19 O -1.1683795 0.0000000 -0.9352901 0.0000000 -0.7927282 0.0000000 -0.1143762 0.0000000 -3.7194183 20 O -1.7477573 0.2386348 0.4026945 0.7684629 -2.7891236 -0.2993224 0.8407160 -0.5280509 -1.2972935 21 O -1.1683795 0.0000000 0.9352901 0.0000000 -0.7927282 0.0000000 0.1143762 0.0000000 -3.7194183 22 O -1.7477573 -0.2386348 -0.4026945 -0.7684629 -2.7891236 -0.2993224 -0.8407160 -0.5280509 -1.2972935 23 O -1.7477573 0.2386348 -0.4026945 0.7684629 -2.7891236 0.2993224 -0.8407160 0.5280509 -1.2972935 24 O -1.7477573 -0.2386348 0.4026945 -0.7684629 -2.7891236 0.2993224 0.8407160 0.5280509 -1.2972935 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (xxx) -0.00000007 (xxx) -0.00000007 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:15:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:15:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.084362420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.825328190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.677383100000002 Atomic positions (fractional): 1 Tm 0.40024788746436 0.75000000000000 0.03950082275187 168.934 2 Tm 0.90024788746436 0.75000000000000 0.46049917724813 168.934 3 Tm 0.59975211253564 0.25000000000000 0.96049917724813 168.934 4 Tm 0.09975211253564 0.25000000000000 0.53950082275187 168.934 5 Se 0.29756580297568 0.75000000000000 0.63296821831120 78.960 6 Se 0.79756580297568 0.75000000000000 0.86703178168880 78.960 7 Se 0.70243419702432 0.25000000000000 0.36703178168880 78.960 8 Se 0.20243419702432 0.25000000000000 0.13296821831120 78.960 9 Cl 0.06058036725091 0.75000000000000 0.18190762542531 35.453 10 Cl 0.43941963274909 0.25000000000000 0.68190762542532 35.453 11 Cl 0.56058036725091 0.75000000000000 0.31809237457468 35.453 12 Cl 0.93941963274909 0.25000000000000 0.81809237457468 35.453 13 O 0.25023041766903 0.75000000000000 0.82382739570775 15.999 14 O 0.14290055538776 0.57049731121496 0.56589499162117 15.999 15 O 0.14290055538776 0.92950268878504 0.56589499162117 15.999 16 O 0.24976958233097 0.25000000000000 0.32382739570775 15.999 17 O 0.35709944461224 0.07049731121496 0.06589499162117 15.999 18 O 0.35709944461224 0.42950268878504 0.06589499162117 15.999 19 O 0.74976958233097 0.25000000000000 0.17617260429225 15.999 20 O 0.64290055538776 0.92950268878504 0.93410500837883 15.999 21 O 0.75023041766903 0.75000000000000 0.67617260429225 15.999 22 O 0.85709944461224 0.42950268878504 0.43410500837883 15.999 23 O 0.85709944461224 0.07049731121496 0.43410500837883 15.999 24 O 0.64290055538776 0.57049731121496 0.93410500837883 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.168724839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.650656379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.677383100000002 Atomic positions (fractional): 1 Tm 0.20012394373218 0.37500000000000 0.03950082275187 168.934 > 1 2 Tm 0.70012394373218 0.37500000000000 0.03950082275187 168.934 > 1 3 Tm 0.20012394373218 0.87500000000000 0.03950082275187 168.934 > 1 4 Tm 0.70012394373218 0.87500000000000 0.03950082275187 168.934 > 1 5 Tm 0.45012394373218 0.37500000000000 0.46049917724813 168.934 > 5 6 Tm 0.95012394373218 0.37500000000000 0.46049917724813 168.934 > 5 7 Tm 0.45012394373218 0.87500000000000 0.46049917724813 168.934 > 5 8 Tm 0.95012394373218 0.87500000000000 0.46049917724813 168.934 > 5 9 Tm 0.29987605626782 0.12500000000000 0.96049917724813 168.934 > 9 10 Tm 0.79987605626782 0.12500000000000 0.96049917724813 168.934 > 9 11 Tm 0.29987605626782 0.62500000000000 0.96049917724813 168.934 > 9 12 Tm 0.79987605626782 0.62500000000000 0.96049917724813 168.934 > 9 13 Tm 0.04987605626782 0.12500000000000 0.53950082275187 168.934 > 13 14 Tm 0.54987605626782 0.12500000000000 0.53950082275187 168.934 > 13 15 Tm 0.04987605626782 0.62500000000000 0.53950082275187 168.934 > 13 16 Tm 0.54987605626782 0.62500000000000 0.53950082275187 168.934 > 13 17 Se 0.14878290148784 0.37500000000000 0.63296821831120 78.960 > 17 18 Se 0.64878290148784 0.37500000000000 0.63296821831120 78.960 > 17 19 Se 0.14878290148784 0.87500000000000 0.63296821831120 78.960 > 17 20 Se 0.64878290148784 0.87500000000000 0.63296821831120 78.960 > 17 21 Se 0.39878290148784 0.37500000000000 0.86703178168880 78.960 > 21 22 Se 0.89878290148784 0.37500000000000 0.86703178168880 78.960 > 21 23 Se 0.39878290148784 0.87500000000000 0.86703178168880 78.960 > 21 24 Se 0.89878290148784 0.87500000000000 0.86703178168880 78.960 > 21 25 Se 0.35121709851216 0.12500000000000 0.36703178168880 78.960 > 25 26 Se 0.85121709851216 0.12500000000000 0.36703178168880 78.960 > 25 27 Se 0.35121709851216 0.62500000000000 0.36703178168880 78.960 > 25 28 Se 0.85121709851216 0.62500000000000 0.36703178168880 78.960 > 25 29 Se 0.10121709851216 0.12500000000000 0.13296821831120 78.960 > 29 30 Se 0.60121709851216 0.12500000000000 0.13296821831120 78.960 > 29 31 Se 0.10121709851216 0.62500000000000 0.13296821831120 78.960 > 29 32 Se 0.60121709851216 0.62500000000000 0.13296821831120 78.960 > 29 33 Cl 0.03029018362546 0.37500000000000 0.18190762542531 35.453 > 33 34 Cl 0.53029018362546 0.37500000000000 0.18190762542531 35.453 > 33 35 Cl 0.03029018362546 0.87500000000000 0.18190762542531 35.453 > 33 36 Cl 0.53029018362546 0.87500000000000 0.18190762542531 35.453 > 33 37 Cl 0.21970981637454 0.12500000000000 0.68190762542532 35.453 > 37 38 Cl 0.71970981637454 0.12500000000000 0.68190762542532 35.453 > 37 39 Cl 0.21970981637454 0.62500000000000 0.68190762542532 35.453 > 37 40 Cl 0.71970981637454 0.62500000000000 0.68190762542532 35.453 > 37 41 Cl 0.28029018362546 0.37500000000000 0.31809237457468 35.453 > 41 42 Cl 0.78029018362546 0.37500000000000 0.31809237457468 35.453 > 41 43 Cl 0.28029018362546 0.87500000000000 0.31809237457468 35.453 > 41 44 Cl 0.78029018362546 0.87500000000000 0.31809237457468 35.453 > 41 45 Cl 0.46970981637454 0.12500000000000 0.81809237457468 35.453 > 45 46 Cl 0.96970981637454 0.12500000000000 0.81809237457468 35.453 > 45 47 Cl 0.46970981637454 0.62500000000000 0.81809237457468 35.453 > 45 48 Cl 0.96970981637454 0.62500000000000 0.81809237457468 35.453 > 45 49 O 0.12511520883452 0.37500000000000 0.82382739570775 15.999 > 49 50 O 0.62511520883452 0.37500000000000 0.82382739570775 15.999 > 49 51 O 0.12511520883452 0.87500000000000 0.82382739570775 15.999 > 49 52 O 0.62511520883452 0.87500000000000 0.82382739570775 15.999 > 49 53 O 0.07145027769388 0.28524865560748 0.56589499162117 15.999 > 53 54 O 0.57145027769388 0.28524865560748 0.56589499162117 15.999 > 53 55 O 0.07145027769388 0.78524865560748 0.56589499162117 15.999 > 53 56 O 0.57145027769388 0.78524865560748 0.56589499162117 15.999 > 53 57 O 0.07145027769388 0.46475134439252 0.56589499162117 15.999 > 57 58 O 0.57145027769388 0.46475134439252 0.56589499162117 15.999 > 57 59 O 0.07145027769388 0.96475134439252 0.56589499162117 15.999 > 57 60 O 0.57145027769388 0.96475134439252 0.56589499162117 15.999 > 57 61 O 0.12488479116548 0.12500000000000 0.32382739570775 15.999 > 61 62 O 0.62488479116548 0.12500000000000 0.32382739570775 15.999 > 61 63 O 0.12488479116548 0.62500000000000 0.32382739570775 15.999 > 61 64 O 0.62488479116548 0.62500000000000 0.32382739570775 15.999 > 61 65 O 0.17854972230612 0.03524865560748 0.06589499162117 15.999 > 65 66 O 0.67854972230612 0.03524865560748 0.06589499162117 15.999 > 65 67 O 0.17854972230612 0.53524865560748 0.06589499162117 15.999 > 65 68 O 0.67854972230612 0.53524865560748 0.06589499162117 15.999 > 65 69 O 0.17854972230612 0.21475134439252 0.06589499162117 15.999 > 69 70 O 0.67854972230612 0.21475134439252 0.06589499162117 15.999 > 69 71 O 0.17854972230612 0.71475134439252 0.06589499162117 15.999 > 69 72 O 0.67854972230612 0.71475134439252 0.06589499162117 15.999 > 69 73 O 0.37488479116548 0.12500000000000 0.17617260429225 15.999 > 73 74 O 0.87488479116548 0.12500000000000 0.17617260429225 15.999 > 73 75 O 0.37488479116548 0.62500000000000 0.17617260429225 15.999 > 73 76 O 0.87488479116548 0.62500000000000 0.17617260429225 15.999 > 73 77 O 0.32145027769388 0.46475134439252 0.93410500837883 15.999 > 77 78 O 0.82145027769388 0.46475134439252 0.93410500837883 15.999 > 77 79 O 0.32145027769388 0.96475134439252 0.93410500837883 15.999 > 77 80 O 0.82145027769388 0.96475134439252 0.93410500837883 15.999 > 77 81 O 0.37511520883452 0.37500000000000 0.67617260429225 15.999 > 81 82 O 0.87511520883452 0.37500000000000 0.67617260429225 15.999 > 81 83 O 0.37511520883452 0.87500000000000 0.67617260429225 15.999 > 81 84 O 0.87511520883452 0.87500000000000 0.67617260429225 15.999 > 81 85 O 0.42854972230612 0.21475134439252 0.43410500837883 15.999 > 85 86 O 0.92854972230612 0.21475134439252 0.43410500837883 15.999 > 85 87 O 0.42854972230612 0.71475134439252 0.43410500837883 15.999 > 85 88 O 0.92854972230612 0.71475134439252 0.43410500837883 15.999 > 85 89 O 0.42854972230612 0.03524865560748 0.43410500837883 15.999 > 89 90 O 0.92854972230612 0.03524865560748 0.43410500837883 15.999 > 89 91 O 0.42854972230612 0.53524865560748 0.43410500837883 15.999 > 89 92 O 0.92854972230612 0.53524865560748 0.43410500837883 15.999 > 89 93 O 0.32145027769388 0.28524865560748 0.93410500837883 15.999 > 93 94 O 0.82145027769388 0.28524865560748 0.93410500837883 15.999 > 93 95 O 0.32145027769388 0.78524865560748 0.93410500837883 15.999 > 93 96 O 0.82145027769388 0.78524865560748 0.93410500837883 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3377796 0.0000000 0.0000000 0.0000000 3.5233783 0.0000000 0.0000000 0.0000000 3.7686632 -------------------------- Born effective charges -------------------------- 1 Tm 3.7681543 0.0000000 0.2290130 0.0000000 4.1387823 0.0000000 0.1211569 0.0000000 4.4084134 2 Tm 3.7681543 0.0000000 -0.2290130 0.0000000 4.1387823 0.0000000 -0.1211569 0.0000000 4.4084134 3 Tm 3.7681543 0.0000000 0.2290130 0.0000000 4.1387823 0.0000000 0.1211569 0.0000000 4.4084134 4 Tm 3.7681543 0.0000000 -0.2290130 0.0000000 4.1387823 0.0000000 -0.1211569 0.0000000 4.4084134 5 Se 2.3432456 0.0000000 0.6877219 0.0000000 3.0448556 0.0000000 0.5382819 0.0000000 3.5393799 6 Se 2.3432456 0.0000000 -0.6877219 0.0000000 3.0448556 0.0000000 -0.5382819 0.0000000 3.5393799 7 Se 2.3432456 0.0000000 0.6877219 0.0000000 3.0448556 0.0000000 0.5382819 0.0000000 3.5393799 8 Se 2.3432456 0.0000000 -0.6877219 0.0000000 3.0448556 0.0000000 -0.5382819 0.0000000 3.5393799 9 Cl -1.4475059 0.0000000 0.5215334 0.0000000 -0.8126625 0.0000000 0.5579440 0.0000000 -1.6337881 10 Cl -1.4475059 0.0000000 -0.5215334 0.0000000 -0.8126625 0.0000000 -0.5579440 0.0000000 -1.6337881 11 Cl -1.4475059 0.0000000 -0.5215334 0.0000000 -0.8126625 0.0000000 -0.5579440 0.0000000 -1.6337881 12 Cl -1.4475059 0.0000000 0.5215334 0.0000000 -0.8126625 0.0000000 0.5579440 0.0000000 -1.6337881 13 O -1.1683795 0.0000000 -0.9352901 0.0000000 -0.7927282 0.0000000 -0.1143762 0.0000000 -3.7194183 14 O -1.7477573 -0.2386348 -0.4026945 -0.7684629 -2.7891236 -0.2993224 -0.8407160 -0.5280509 -1.2972935 15 O -1.7477573 0.2386348 -0.4026945 0.7684629 -2.7891236 0.2993224 -0.8407160 0.5280509 -1.2972935 16 O -1.1683795 0.0000000 0.9352901 0.0000000 -0.7927282 0.0000000 0.1143762 0.0000000 -3.7194183 17 O -1.7477573 0.2386348 0.4026945 0.7684629 -2.7891236 -0.2993224 0.8407160 -0.5280509 -1.2972935 18 O -1.7477573 -0.2386348 0.4026945 -0.7684629 -2.7891236 0.2993224 0.8407160 0.5280509 -1.2972935 19 O -1.1683795 0.0000000 -0.9352901 0.0000000 -0.7927282 0.0000000 -0.1143762 0.0000000 -3.7194183 20 O -1.7477573 0.2386348 0.4026945 0.7684629 -2.7891236 -0.2993224 0.8407160 -0.5280509 -1.2972935 21 O -1.1683795 0.0000000 0.9352901 0.0000000 -0.7927282 0.0000000 0.1143762 0.0000000 -3.7194183 22 O -1.7477573 -0.2386348 -0.4026945 -0.7684629 -2.7891236 -0.2993224 -0.8407160 -0.5280509 -1.2972935 23 O -1.7477573 0.2386348 -0.4026945 0.7684629 -2.7891236 0.2993224 -0.8407160 0.5280509 -1.2972935 24 O -1.7477573 -0.2386348 0.4026945 -0.7684629 -2.7891236 0.2993224 0.8407160 0.5280509 -1.2972935 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (xxx) -0.00000007 (xxx) -0.00000007 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 6 ] 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: 0.55, Number of G-points: 289, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 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 1.072 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.869 ( 0.000 0.000 0.000) 0.000 9.343 ( 0.000 0.000 0.000) 0.000 9.777 ( 0.000 0.000 0.000) 0.000 9.853 ( 0.000 0.000 0.000) 0.000 10.364 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 12.186 ( 0.000 0.000 0.000) 0.000 12.449 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 12.849 ( 0.000 0.000 0.000) 0.000 14.707 ( 0.000 0.000 0.000) 0.000 15.213 ( 0.000 0.000 0.000) 0.000 15.303 ( 0.000 0.000 0.000) 0.000 15.585 ( 0.000 0.000 0.000) 0.000 19.338 ( 0.000 0.000 0.000) 0.000 19.353 ( 0.000 0.000 0.000) 0.000 20.789 ( 0.000 0.000 0.000) 0.000 20.877 ( 0.000 0.000 0.000) 0.000 21.559 ( 0.000 0.000 0.000) 0.000 22.513 ( 0.000 0.000 0.000) 0.000 23.194 ( 0.000 0.000 0.000) 0.000 24.632 ( 0.000 0.000 0.000) 0.000 25.134 ( 0.000 0.000 0.000) 0.000 25.526 ( 0.000 0.000 0.000) 0.000 25.671 ( 0.000 0.000 0.000) 0.000 25.672 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( 11.532 0.000 0.000) 11.532 0.531 ( 25.484 0.000 0.000) 25.484 0.571 ( 27.073 0.000 0.000) 27.073 1.060 ( -1.382 0.000 0.000) 1.382 1.825 ( 2.789 0.000 0.000) 2.789 1.881 ( 0.816 0.000 0.000) 0.816 1.885 ( -2.428 0.000 0.000) 2.428 1.911 ( -2.663 0.000 0.000) 2.663 1.945 ( 0.405 0.000 0.000) 0.405 2.093 ( 0.893 0.000 0.000) 0.893 2.325 ( -3.944 0.000 0.000) 3.944 2.603 ( 2.443 0.000 0.000) 2.443 2.704 ( -8.322 0.000 0.000) 8.322 2.731 ( 2.595 0.000 0.000) 2.595 2.812 ( 0.824 0.000 0.000) 0.824 2.841 ( 2.473 0.000 0.000) 2.473 3.174 ( -1.230 0.000 0.000) 1.230 3.312 ( 5.104 0.000 0.000) 5.104 3.332 ( 11.324 0.000 0.000) 11.324 3.372 ( 3.989 0.000 0.000) 3.989 3.413 ( 7.332 0.000 0.000) 7.332 3.542 ( -4.454 0.000 0.000) 4.454 4.125 ( 6.932 0.000 0.000) 6.932 4.168 ( -2.138 0.000 0.000) 2.138 4.265 ( 0.078 0.000 0.000) 0.078 4.293 ( -7.356 0.000 0.000) 7.356 4.330 ( 2.187 0.000 0.000) 2.187 4.441 ( -3.819 0.000 0.000) 3.819 4.774 ( 0.169 0.000 0.000) 0.169 5.475 ( -5.678 0.000 0.000) 5.678 5.484 ( 1.042 0.000 0.000) 1.042 5.596 ( 0.767 0.000 0.000) 0.767 5.825 ( -1.445 0.000 0.000) 1.445 6.102 ( -3.538 0.000 0.000) 3.538 6.365 ( 1.411 0.000 0.000) 1.411 6.469 ( 1.580 0.000 0.000) 1.580 6.620 ( -1.821 0.000 0.000) 1.821 6.833 ( -1.019 0.000 0.000) 1.019 6.879 ( -1.362 0.000 0.000) 1.362 7.084 ( 1.118 0.000 0.000) 1.118 7.085 ( 0.499 0.000 0.000) 0.499 7.172 ( -4.561 0.000 0.000) 4.561 7.580 ( 3.640 0.000 0.000) 3.640 7.839 ( -1.007 0.000 0.000) 1.007 8.319 ( 2.940 0.000 0.000) 2.940 8.775 ( 3.993 0.000 0.000) 3.993 8.840 ( -2.791 0.000 0.000) 2.791 9.328 ( -1.620 0.000 0.000) 1.620 9.772 ( -0.402 0.000 0.000) 0.402 9.845 ( -0.811 0.000 0.000) 0.811 10.372 ( 0.774 0.000 0.000) 0.774 10.468 ( -0.221 0.000 0.000) 0.221 12.234 ( 4.622 0.000 0.000) 4.622 12.771 ( -1.056 0.000 0.000) 1.056 12.855 ( 0.566 0.000 0.000) 0.566 13.158 ( -2.264 0.000 0.000) 2.264 14.720 ( 1.306 0.000 0.000) 1.306 15.160 ( -4.662 0.000 0.000) 4.662 15.639 ( 4.852 0.000 0.000) 4.852 16.346 ( -4.294 0.000 0.000) 4.294 19.341 ( 0.260 0.000 0.000) 0.260 19.355 ( 0.138 0.000 0.000) 0.138 20.792 ( 0.297 0.000 0.000) 0.297 20.872 ( -0.551 0.000 0.000) 0.551 21.596 ( 3.648 0.000 0.000) 3.648 22.453 ( -5.711 0.000 0.000) 5.711 23.730 ( 4.362 0.000 0.000) 4.362 24.566 ( -6.106 0.000 0.000) 6.106 25.219 ( 0.819 0.000 0.000) 0.819 25.553 ( 2.296 0.000 0.000) 2.296 25.642 ( -2.835 0.000 0.000) 2.835 25.679 ( 0.659 0.000 0.000) 0.659 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 11.628 0.000 0.000) 11.628 1.005 ( -4.323 0.000 0.000) 4.323 1.007 ( 21.074 0.000 0.000) 21.074 1.065 ( 21.236 0.000 0.000) 21.236 1.816 ( -4.092 0.000 0.000) 4.092 1.832 ( -2.463 0.000 0.000) 2.463 1.867 ( -1.195 0.000 0.000) 1.195 1.897 ( 0.532 0.000 0.000) 0.532 2.017 ( 6.675 0.000 0.000) 6.675 2.105 ( 0.365 0.000 0.000) 0.365 2.229 ( -4.912 0.000 0.000) 4.912 2.497 ( -9.099 0.000 0.000) 9.099 2.731 ( 7.104 0.000 0.000) 7.104 2.807 ( 3.822 0.000 0.000) 3.822 2.831 ( 1.003 0.000 0.000) 1.003 2.904 ( 4.497 0.000 0.000) 4.497 3.128 ( -3.460 0.000 0.000) 3.460 3.415 ( -7.883 0.000 0.000) 7.883 3.430 ( 6.280 0.000 0.000) 6.280 3.491 ( 7.227 0.000 0.000) 7.227 3.536 ( 8.194 0.000 0.000) 8.194 3.611 ( 10.809 0.000 0.000) 10.809 4.102 ( -10.604 0.000 0.000) 10.604 4.114 ( -3.136 0.000 0.000) 3.136 4.255 ( -1.307 0.000 0.000) 1.307 4.302 ( 9.480 0.000 0.000) 9.480 4.334 ( -6.192 0.000 0.000) 6.192 4.388 ( 3.293 0.000 0.000) 3.293 4.787 ( 1.516 0.000 0.000) 1.516 5.313 ( -10.079 0.000 0.000) 10.079 5.533 ( 4.240 0.000 0.000) 4.240 5.622 ( 1.788 0.000 0.000) 1.788 5.784 ( -2.557 0.000 0.000) 2.557 5.998 ( -6.695 0.000 0.000) 6.695 6.394 ( 1.421 0.000 0.000) 1.421 6.525 ( 3.865 0.000 0.000) 3.865 6.564 ( -3.560 0.000 0.000) 3.560 6.807 ( -3.137 0.000 0.000) 3.137 6.845 ( -0.010 0.000 0.000) 0.010 7.062 ( -5.026 0.000 0.000) 5.026 7.106 ( 0.657 0.000 0.000) 0.657 7.113 ( 1.464 0.000 0.000) 1.464 7.658 ( 3.726 0.000 0.000) 3.726 7.812 ( -1.620 0.000 0.000) 1.620 8.403 ( 5.202 0.000 0.000) 5.202 8.761 ( -4.913 0.000 0.000) 4.913 8.885 ( 6.587 0.000 0.000) 6.587 9.272 ( -3.996 0.000 0.000) 3.996 9.767 ( 0.018 0.000 0.000) 0.018 9.823 ( -1.276 0.000 0.000) 1.276 10.393 ( 1.250 0.000 0.000) 1.250 10.460 ( -0.590 0.000 0.000) 0.590 12.359 ( 7.319 0.000 0.000) 7.319 12.732 ( -2.999 0.000 0.000) 2.999 12.877 ( 1.812 0.000 0.000) 1.812 13.095 ( -3.878 0.000 0.000) 3.878 14.760 ( 2.745 0.000 0.000) 2.745 15.049 ( -5.954 0.000 0.000) 5.954 15.760 ( 6.835 0.000 0.000) 6.835 16.228 ( -7.141 0.000 0.000) 7.141 19.348 ( 0.376 0.000 0.000) 0.376 19.358 ( 0.119 0.000 0.000) 0.119 20.802 ( 0.607 0.000 0.000) 0.607 20.856 ( -0.922 0.000 0.000) 0.922 21.705 ( 7.085 0.000 0.000) 7.085 22.296 ( -9.500 0.000 0.000) 9.500 23.851 ( 7.396 0.000 0.000) 7.396 24.407 ( -9.184 0.000 0.000) 9.184 25.252 ( 2.606 0.000 0.000) 2.606 25.546 ( -4.720 0.000 0.000) 4.720 25.621 ( 2.350 0.000 0.000) 2.350 25.691 ( 0.438 0.000 0.000) 0.438 ======================= Grid point 3 (4/64) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 10.582 0.000 0.000) 10.582 0.880 ( -7.984 0.000 0.000) 7.984 1.349 ( 11.684 0.000 0.000) 11.684 1.387 ( 9.046 0.000 0.000) 9.046 1.734 ( -3.076 0.000 0.000) 3.076 1.756 ( -4.216 0.000 0.000) 4.216 1.868 ( 1.069 0.000 0.000) 1.069 1.893 ( -0.938 0.000 0.000) 0.938 2.114 ( 0.746 0.000 0.000) 0.746 2.147 ( -2.854 0.000 0.000) 2.854 2.168 ( 7.605 0.000 0.000) 7.605 2.322 ( -8.023 0.000 0.000) 8.023 2.848 ( 0.552 0.000 0.000) 0.552 2.849 ( 0.637 0.000 0.000) 0.637 2.889 ( 7.966 0.000 0.000) 7.966 3.033 ( -6.017 0.000 0.000) 6.017 3.045 ( 8.896 0.000 0.000) 8.896 3.236 ( -9.565 0.000 0.000) 9.565 3.558 ( 6.307 0.000 0.000) 6.307 3.637 ( 0.592 0.000 0.000) 0.592 3.640 ( 7.008 0.000 0.000) 7.008 3.748 ( -1.003 0.000 0.000) 1.003 3.953 ( 0.004 0.000 0.000) 0.004 4.037 ( -4.713 0.000 0.000) 4.713 4.218 ( -1.619 0.000 0.000) 1.619 4.228 ( -3.242 0.000 0.000) 3.242 4.446 ( 3.470 0.000 0.000) 3.470 4.448 ( 2.235 0.000 0.000) 2.235 4.873 ( 7.924 0.000 0.000) 7.924 5.086 ( -11.859 0.000 0.000) 11.859 5.660 ( 8.082 0.000 0.000) 8.082 5.668 ( 2.706 0.000 0.000) 2.706 5.727 ( -3.015 0.000 0.000) 3.015 5.838 ( -8.907 0.000 0.000) 8.907 6.429 ( 2.245 0.000 0.000) 2.245 6.489 ( -3.579 0.000 0.000) 3.579 6.616 ( 4.958 0.000 0.000) 4.958 6.718 ( -5.006 0.000 0.000) 5.006 6.881 ( 3.071 0.000 0.000) 3.071 6.961 ( -4.653 0.000 0.000) 4.653 7.125 ( 0.866 0.000 0.000) 0.866 7.133 ( 0.289 0.000 0.000) 0.289 7.724 ( 2.860 0.000 0.000) 2.860 7.774 ( -2.124 0.000 0.000) 2.124 8.521 ( 6.288 0.000 0.000) 6.288 8.648 ( -6.130 0.000 0.000) 6.130 9.028 ( 7.293 0.000 0.000) 7.293 9.167 ( -6.260 0.000 0.000) 6.260 9.775 ( 0.790 0.000 0.000) 0.790 9.796 ( -1.263 0.000 0.000) 1.263 10.420 ( 1.320 0.000 0.000) 1.320 10.444 ( -1.035 0.000 0.000) 1.035 12.512 ( 7.432 0.000 0.000) 7.432 12.645 ( -5.573 0.000 0.000) 5.573 12.930 ( 3.418 0.000 0.000) 3.418 13.010 ( -4.300 0.000 0.000) 4.300 14.831 ( 4.275 0.000 0.000) 4.275 14.931 ( -5.541 0.000 0.000) 5.541 15.909 ( 7.818 0.000 0.000) 7.818 16.071 ( -8.127 0.000 0.000) 8.127 19.355 ( 0.290 0.000 0.000) 0.290 19.358 ( -0.070 0.000 0.000) 0.070 20.817 ( 0.885 0.000 0.000) 0.885 20.836 ( -1.024 0.000 0.000) 1.024 21.877 ( 9.742 0.000 0.000) 9.742 22.087 ( -10.777 0.000 0.000) 10.777 24.019 ( 9.124 0.000 0.000) 9.124 24.212 ( -9.827 0.000 0.000) 9.827 25.326 ( 4.692 0.000 0.000) 4.692 25.435 ( -5.780 0.000 0.000) 5.780 25.667 ( 1.828 0.000 0.000) 1.828 25.691 ( -0.556 0.000 0.000) 0.556 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 0.000 16.618 0.000) 16.618 0.418 ( 0.000 20.131 0.000) 20.131 1.163 ( 0.000 52.237 0.000) 52.237 1.468 ( 0.000 25.979 0.000) 25.979 1.713 ( 0.000 -5.237 0.000) 5.237 1.837 ( 0.000 -7.906 0.000) 7.906 1.920 ( 0.000 2.830 0.000) 2.830 1.968 ( 0.000 5.934 0.000) 5.934 2.071 ( 0.000 10.736 0.000) 10.736 2.203 ( 0.000 13.162 0.000) 13.162 2.378 ( 0.000 0.448 0.000) 0.448 2.428 ( 0.000 -12.035 0.000) 12.035 2.532 ( 0.000 -1.017 0.000) 1.017 2.977 ( 0.000 13.172 0.000) 13.172 3.033 ( 0.000 18.625 0.000) 18.625 3.149 ( 0.000 -4.208 0.000) 4.208 3.173 ( 0.000 -0.133 0.000) 0.133 3.247 ( 0.000 -0.891 0.000) 0.891 3.255 ( 0.000 0.413 0.000) 0.413 3.294 ( 0.000 -2.297 0.000) 2.297 3.347 ( 0.000 8.771 0.000) 8.771 3.632 ( 0.000 4.356 0.000) 4.356 3.949 ( 0.000 -8.531 0.000) 8.531 4.183 ( 0.000 -0.846 0.000) 0.846 4.196 ( 0.000 -2.675 0.000) 2.675 4.284 ( 0.000 -7.262 0.000) 7.262 4.432 ( 0.000 7.274 0.000) 7.274 4.500 ( 0.000 4.847 0.000) 4.847 5.140 ( 0.000 -18.433 0.000) 18.433 5.199 ( 0.000 1.744 0.000) 1.744 5.451 ( 0.000 -12.007 0.000) 12.007 5.654 ( 0.000 -15.634 0.000) 15.634 5.819 ( 0.000 13.868 0.000) 13.868 6.188 ( 0.000 6.161 0.000) 6.161 6.203 ( 0.000 5.728 0.000) 5.728 6.355 ( 0.000 0.538 0.000) 0.538 6.529 ( 0.000 5.223 0.000) 5.223 6.815 ( 0.000 -3.260 0.000) 3.260 6.816 ( 0.000 -1.076 0.000) 1.076 7.077 ( 0.000 0.292 0.000) 0.292 7.081 ( 0.000 -0.581 0.000) 0.581 7.155 ( 0.000 -5.530 0.000) 5.530 7.286 ( 0.000 -3.051 0.000) 3.051 7.500 ( 0.000 -3.216 0.000) 3.216 8.309 ( 0.000 1.833 0.000) 1.833 8.708 ( 0.000 -2.459 0.000) 2.459 8.907 ( 0.000 3.470 0.000) 3.470 9.401 ( 0.000 -2.375 0.000) 2.375 9.920 ( 0.000 5.986 0.000) 5.986 10.394 ( 0.000 2.691 0.000) 2.691 10.478 ( 0.000 0.505 0.000) 0.505 10.508 ( 0.000 0.698 0.000) 0.698 12.198 ( 0.000 1.195 0.000) 1.195 12.443 ( 0.000 -0.695 0.000) 0.695 12.785 ( 0.000 0.390 0.000) 0.390 12.847 ( 0.000 -0.193 0.000) 0.193 14.712 ( 0.000 0.522 0.000) 0.522 15.209 ( 0.000 -0.342 0.000) 0.342 15.233 ( 0.000 -6.322 0.000) 6.322 15.526 ( 0.000 -5.202 0.000) 5.202 19.493 ( 0.000 12.814 0.000) 12.814 20.871 ( 0.000 4.984 0.000) 4.984 21.022 ( 0.000 13.174 0.000) 13.174 21.658 ( 0.000 11.420 0.000) 11.420 22.482 ( 0.000 -3.027 0.000) 3.027 22.618 ( 0.000 2.834 0.000) 2.834 23.165 ( 0.000 -2.776 0.000) 2.776 24.508 ( 0.000 -11.784 0.000) 11.784 25.138 ( 0.000 0.480 0.000) 0.480 25.528 ( 0.000 0.173 0.000) 0.173 25.630 ( 0.000 -3.860 0.000) 3.860 25.654 ( 0.000 -1.673 0.000) 1.673 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 20.553 7.604 0.000) 21.915 0.664 ( 19.281 11.681 0.000) 22.543 1.201 ( 3.774 50.020 0.000) 50.162 1.475 ( 0.453 27.527 0.000) 27.531 1.736 ( 0.938 -5.654 0.000) 5.731 1.841 ( 1.772 -7.027 0.000) 7.247 1.886 ( -3.611 1.353 0.000) 3.856 1.967 ( 1.725 7.655 0.000) 7.847 2.025 ( -3.304 10.439 0.000) 10.949 2.243 ( 2.792 13.310 0.000) 13.600 2.273 ( -4.856 -5.203 0.000) 7.117 2.515 ( 6.116 -2.281 0.000) 6.527 2.557 ( -1.451 -4.552 0.000) 4.777 2.987 ( 1.007 11.960 0.000) 12.002 3.031 ( -0.279 17.929 0.000) 17.932 3.111 ( -5.885 11.190 0.000) 12.643 3.133 ( -1.391 -4.117 0.000) 4.345 3.313 ( 5.152 0.148 0.000) 5.154 3.332 ( 3.505 -2.404 0.000) 4.250 3.353 ( 7.844 -2.894 0.000) 8.361 3.393 ( 8.787 6.231 0.000) 10.772 3.596 ( -3.228 5.085 0.000) 6.023 4.005 ( 5.007 -9.646 0.000) 10.868 4.159 ( -2.039 -1.465 0.000) 2.511 4.185 ( -1.168 -2.760 0.000) 2.997 4.197 ( -5.949 -7.379 0.000) 9.478 4.445 ( -4.961 4.702 0.000) 6.836 4.462 ( 2.653 7.404 0.000) 7.865 5.053 ( -5.543 12.671 0.000) 13.830 5.120 ( -1.956 -18.201 0.000) 18.305 5.476 ( 0.893 -11.455 0.000) 11.490 5.644 ( -1.011 -14.998 0.000) 15.032 5.795 ( -2.086 13.806 0.000) 13.963 6.119 ( -3.084 2.671 0.000) 4.080 6.374 ( 1.616 0.503 0.000) 1.693 6.505 ( 9.180 -5.091 0.000) 10.498 6.531 ( 0.419 4.506 0.000) 4.526 6.786 ( -0.468 -2.968 0.000) 3.005 6.849 ( 0.019 -2.272 0.000) 2.272 7.083 ( 0.777 0.048 0.000) 0.778 7.086 ( 0.099 -1.929 0.000) 1.932 7.113 ( -3.335 -3.302 0.000) 4.693 7.429 ( 10.370 -14.762 0.000) 18.040 7.530 ( 2.521 -4.297 0.000) 4.982 8.343 ( 3.263 2.119 0.000) 3.891 8.750 ( 4.025 -2.428 0.000) 4.701 8.884 ( -2.408 3.533 0.000) 4.276 9.361 ( -3.572 -1.319 0.000) 3.807 9.914 ( -0.575 6.189 0.000) 6.216 10.132 ( -15.203 14.268 0.000) 20.850 10.466 ( -0.315 7.249 0.000) 7.256 10.479 ( 0.017 0.698 0.000) 0.699 12.245 ( 4.578 1.054 0.000) 4.698 12.774 ( -1.067 0.377 0.000) 1.132 12.798 ( 16.464 -17.925 0.000) 24.339 12.851 ( 0.388 -0.347 0.000) 0.521 14.725 ( 1.349 0.560 0.000) 1.461 15.159 ( -4.371 -0.018 0.000) 4.371 15.510 ( 18.682 -27.269 0.000) 33.055 15.570 ( 3.857 -6.098 0.000) 7.215 19.503 ( 0.974 13.500 0.000) 13.535 20.841 ( -33.201 30.656 0.000) 45.189 20.884 ( 1.274 5.969 0.000) 6.103 21.296 ( -39.462 52.270 0.000) 65.494 21.685 ( 2.663 10.413 0.000) 10.748 22.442 ( -5.589 -0.693 0.000) 5.632 23.576 ( 11.975 -11.353 0.000) 16.502 24.451 ( -5.408 -11.081 0.000) 12.330 25.186 ( 2.622 -1.466 0.000) 3.004 25.547 ( 1.604 -0.501 0.000) 1.680 25.625 ( -2.653 -1.511 0.000) 3.053 25.634 ( 0.536 -4.007 0.000) 4.043 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 15.536 9.057 0.000) 17.983 1.064 ( 18.612 5.960 0.000) 19.543 1.316 ( 7.482 39.263 0.000) 39.969 1.469 ( -1.416 30.778 0.000) 30.810 1.718 ( -1.842 -5.566 0.000) 5.863 1.815 ( -3.474 0.814 0.000) 3.568 1.933 ( 4.137 -1.699 0.000) 4.472 1.976 ( 0.970 5.689 0.000) 5.771 1.999 ( 0.467 8.954 0.000) 8.966 2.203 ( -1.994 -2.684 0.000) 3.344 2.289 ( 1.546 13.802 0.000) 13.888 2.469 ( -5.967 -2.322 0.000) 6.403 2.670 ( 8.665 -1.315 0.000) 8.764 2.990 ( -1.456 10.582 0.000) 10.681 3.016 ( -1.356 15.021 0.000) 15.082 3.061 ( 2.320 12.446 0.000) 12.660 3.091 ( -2.887 -3.489 0.000) 4.528 3.384 ( -1.093 -2.111 0.000) 2.377 3.441 ( 7.126 1.096 0.000) 7.210 3.532 ( 8.856 -1.752 0.000) 9.028 3.546 ( 0.740 5.405 0.000) 5.456 3.599 ( 9.594 1.165 0.000) 9.665 4.067 ( -4.321 -3.795 0.000) 5.751 4.096 ( -1.214 -12.013 0.000) 12.075 4.112 ( -2.484 -1.173 0.000) 2.747 4.146 ( -2.772 -4.347 0.000) 5.155 4.369 ( 0.537 2.436 0.000) 2.494 4.520 ( 2.571 6.692 0.000) 7.169 4.981 ( -2.537 11.586 0.000) 11.861 5.064 ( -3.525 -15.661 0.000) 16.053 5.497 ( 1.397 -11.546 0.000) 11.630 5.616 ( -1.702 -13.781 0.000) 13.886 5.758 ( -0.796 13.042 0.000) 13.066 6.034 ( -5.430 3.905 0.000) 6.689 6.409 ( 1.649 0.690 0.000) 1.788 6.552 ( -1.731 -0.776 0.000) 1.897 6.557 ( 2.336 2.556 0.000) 3.462 6.783 ( -1.291 -2.218 0.000) 2.566 6.821 ( -0.910 -1.983 0.000) 2.182 7.017 ( -4.756 -4.494 0.000) 6.543 7.107 ( 1.366 -0.451 0.000) 1.438 7.108 ( 0.977 0.529 0.000) 1.111 7.581 ( 4.480 -15.316 0.000) 15.958 7.583 ( 2.435 -6.262 0.000) 6.719 8.435 ( 5.651 2.781 0.000) 6.298 8.810 ( -4.866 3.848 0.000) 6.204 8.861 ( 6.674 -2.324 0.000) 7.067 9.272 ( -5.172 -1.207 0.000) 5.312 9.899 ( -0.833 6.748 0.000) 6.799 9.942 ( -4.968 12.417 0.000) 13.374 10.466 ( 0.200 5.880 0.000) 5.884 10.478 ( -0.055 1.340 0.000) 1.341 12.368 ( 7.267 0.959 0.000) 7.330 12.736 ( -2.955 0.404 0.000) 2.983 12.867 ( 1.320 -0.931 0.000) 1.615 12.961 ( 2.146 -10.503 0.000) 10.720 14.767 ( 2.852 0.702 0.000) 2.937 15.054 ( -5.689 0.551 0.000) 5.716 15.661 ( 4.802 -8.654 0.000) 9.897 15.770 ( 6.596 -28.758 0.000) 29.504 19.534 ( 2.206 15.821 0.000) 15.974 20.086 ( -26.284 47.265 0.000) 54.081 20.920 ( 2.134 8.612 0.000) 8.873 21.074 ( -3.286 20.468 0.000) 20.730 21.768 ( 5.607 7.770 0.000) 9.582 22.290 ( -9.004 0.023 0.000) 9.004 23.764 ( 8.458 -7.929 0.000) 11.594 24.307 ( -8.439 -9.679 0.000) 12.841 25.239 ( 3.082 -0.860 0.000) 3.200 25.531 ( -4.493 -1.259 0.000) 4.666 25.602 ( 1.654 -1.674 0.000) 2.353 25.647 ( 0.585 -4.032 0.000) 4.074 ======================= Grid point 10 (8/64) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 8.821 19.631 0.000) 21.522 1.317 ( 1.307 14.143 0.000) 14.204 1.457 ( 4.029 21.953 0.000) 22.319 1.466 ( 5.550 20.928 0.000) 21.651 1.684 ( -1.007 -0.940 0.000) 1.378 1.732 ( -4.802 0.913 0.000) 4.888 1.939 ( 0.728 6.118 0.000) 6.161 1.975 ( -2.264 6.546 0.000) 6.927 2.104 ( 6.707 -1.919 0.000) 6.976 2.183 ( -1.059 2.006 0.000) 2.268 2.307 ( 0.568 12.119 0.000) 12.132 2.353 ( -4.691 3.385 0.000) 5.785 2.846 ( 8.305 -0.528 0.000) 8.322 2.973 ( -3.405 8.412 0.000) 9.075 2.977 ( 0.421 7.778 0.000) 7.789 3.017 ( -3.893 0.091 0.000) 3.894 3.149 ( 5.840 8.912 0.000) 10.655 3.282 ( -6.877 4.215 0.000) 8.066 3.578 ( 5.775 1.991 0.000) 6.108 3.637 ( 6.411 0.160 0.000) 6.413 3.644 ( 0.661 0.782 0.000) 1.024 3.721 ( 0.770 -2.488 0.000) 2.604 3.991 ( -0.462 3.461 0.000) 3.491 4.047 ( -1.022 -10.589 0.000) 10.638 4.054 ( -4.033 1.828 0.000) 4.428 4.076 ( -3.146 -8.169 0.000) 8.754 4.470 ( 6.297 -2.427 0.000) 6.749 4.545 ( -0.741 2.509 0.000) 2.617 4.947 ( -0.302 5.844 0.000) 5.852 4.985 ( -3.731 -6.454 0.000) 7.455 5.534 ( 2.099 -12.154 0.000) 12.334 5.577 ( -2.106 -13.055 0.000) 13.224 5.790 ( 4.127 10.335 0.000) 11.129 5.907 ( -6.724 6.579 0.000) 9.408 6.443 ( 2.021 0.777 0.000) 2.165 6.496 ( -3.118 0.435 0.000) 3.148 6.624 ( 4.067 0.601 0.000) 4.111 6.712 ( -4.441 -0.641 0.000) 4.487 6.852 ( 2.882 -2.647 0.000) 3.913 6.925 ( -4.217 -3.317 0.000) 5.365 7.126 ( 0.656 0.093 0.000) 0.662 7.128 ( 0.508 -0.364 0.000) 0.625 7.621 ( 1.237 -8.452 0.000) 8.542 7.629 ( 0.692 -11.314 0.000) 11.335 8.562 ( 6.661 3.441 0.000) 7.497 8.695 ( -6.340 3.844 0.000) 7.414 9.007 ( 7.478 -2.120 0.000) 7.773 9.152 ( -6.706 -1.762 0.000) 6.934 9.884 ( -0.458 7.674 0.000) 7.688 9.887 ( -1.033 9.321 0.000) 9.378 10.471 ( 0.268 4.125 0.000) 4.133 10.476 ( -0.188 2.509 0.000) 2.516 12.520 ( 7.327 0.799 0.000) 7.371 12.651 ( -5.462 0.569 0.000) 5.492 12.905 ( 2.358 -2.282 0.000) 3.282 12.953 ( -2.004 -5.003 0.000) 5.389 14.840 ( 4.347 0.883 0.000) 4.436 14.940 ( -5.458 0.886 0.000) 5.530 15.754 ( 4.153 -13.078 0.000) 13.722 15.813 ( -1.237 -20.014 0.000) 20.052 19.599 ( 4.564 20.778 0.000) 21.274 19.741 ( -10.468 30.588 0.000) 32.330 20.967 ( 2.494 12.096 0.000) 12.350 21.018 ( -2.591 15.742 0.000) 15.954 21.910 ( 8.361 4.520 0.000) 9.504 22.096 ( -9.818 1.761 0.000) 9.974 23.939 ( 8.994 -7.635 0.000) 11.797 24.125 ( -9.301 -8.415 0.000) 12.543 25.318 ( 4.727 -0.642 0.000) 4.770 25.424 ( -5.612 -0.851 0.000) 5.676 25.636 ( 1.319 -2.815 0.000) 3.109 25.652 ( -0.228 -3.608 0.000) 3.616 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 20.974 0.000) 20.974 0.833 ( 0.000 19.039 0.000) 19.039 1.563 ( 0.000 -6.392 0.000) 6.392 1.693 ( 0.000 -4.919 0.000) 4.919 1.793 ( 0.000 2.427 0.000) 2.427 1.957 ( 0.000 -5.449 0.000) 5.449 2.011 ( 0.000 19.524 0.000) 19.524 2.062 ( 0.000 -0.871 0.000) 0.871 2.332 ( 0.000 12.909 0.000) 12.909 2.355 ( 0.000 -2.883 0.000) 2.883 2.365 ( 0.000 23.879 0.000) 23.879 2.525 ( 0.000 -0.340 0.000) 0.340 2.695 ( 0.000 25.077 0.000) 25.077 3.065 ( 0.000 2.843 0.000) 2.843 3.169 ( 0.000 -0.260 0.000) 0.260 3.187 ( 0.000 0.950 0.000) 0.950 3.260 ( 0.000 0.571 0.000) 0.571 3.265 ( 0.000 5.318 0.000) 5.318 3.271 ( 0.000 -0.207 0.000) 0.207 3.464 ( 0.000 19.833 0.000) 19.833 3.583 ( 0.000 13.847 0.000) 13.847 3.767 ( 0.000 -6.499 0.000) 6.499 3.782 ( 0.000 10.149 0.000) 10.149 4.122 ( 0.000 -6.969 0.000) 6.969 4.151 ( 0.000 -1.900 0.000) 1.900 4.153 ( 0.000 -2.192 0.000) 2.192 4.555 ( 0.000 3.282 0.000) 3.282 4.642 ( 0.000 8.600 0.000) 8.600 4.743 ( 0.000 -18.474 0.000) 18.474 5.123 ( 0.000 -18.710 0.000) 18.710 5.206 ( 0.000 -1.754 0.000) 1.754 5.255 ( 0.000 -21.401 0.000) 21.401 6.088 ( 0.000 11.626 0.000) 11.626 6.323 ( 0.000 6.228 0.000) 6.228 6.347 ( 0.000 7.137 0.000) 7.137 6.370 ( 0.000 0.759 0.000) 0.759 6.621 ( 0.000 3.186 0.000) 3.186 6.728 ( 0.000 -4.612 0.000) 4.612 6.774 ( 0.000 -3.044 0.000) 3.044 6.952 ( 0.000 -9.243 0.000) 9.243 7.086 ( 0.000 0.643 0.000) 0.643 7.134 ( 0.000 2.085 0.000) 2.085 7.212 ( 0.000 -3.592 0.000) 3.592 7.412 ( 0.000 -4.939 0.000) 4.939 8.360 ( 0.000 2.922 0.000) 2.922 8.633 ( 0.000 -4.576 0.000) 4.576 9.001 ( 0.000 5.223 0.000) 5.223 9.331 ( 0.000 -4.252 0.000) 4.252 10.080 ( 0.000 8.700 0.000) 8.700 10.462 ( 0.000 3.434 0.000) 3.434 10.473 ( 0.000 -1.503 0.000) 1.503 10.528 ( 0.000 1.063 0.000) 1.063 12.236 ( 0.000 2.389 0.000) 2.389 12.417 ( 0.000 -1.876 0.000) 1.876 12.796 ( 0.000 0.702 0.000) 0.702 12.841 ( 0.000 -0.440 0.000) 0.440 14.732 ( 0.000 1.583 0.000) 1.583 15.068 ( 0.000 -8.658 0.000) 8.658 15.203 ( 0.000 -0.021 0.000) 0.021 15.396 ( 0.000 -6.443 0.000) 6.443 19.850 ( 0.000 20.079 0.000) 20.079 20.872 ( 0.000 -5.720 0.000) 5.720 21.385 ( 0.000 20.203 0.000) 20.203 22.102 ( 0.000 30.083 0.000) 30.083 22.377 ( 0.000 -7.376 0.000) 7.376 22.702 ( 0.000 5.111 0.000) 5.111 23.082 ( 0.000 -5.034 0.000) 5.034 24.142 ( 0.000 -23.075 0.000) 23.075 25.163 ( 0.000 2.160 0.000) 2.160 25.516 ( 0.000 -6.686 0.000) 6.686 25.533 ( 0.000 0.331 0.000) 0.331 25.610 ( 0.000 -2.232 0.000) 2.232 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 13.396 16.395 0.000) 21.172 0.959 ( 11.380 15.188 0.000) 18.978 1.605 ( 3.601 -5.245 0.000) 6.362 1.699 ( 0.835 -4.438 0.000) 4.516 1.823 ( 2.666 2.855 0.000) 3.907 1.895 ( -4.340 -1.289 0.000) 4.527 2.016 ( 0.416 16.048 0.000) 16.053 2.090 ( 1.545 -3.691 0.000) 4.001 2.284 ( -1.096 14.585 0.000) 14.626 2.325 ( -0.639 14.215 0.000) 14.229 2.467 ( 2.897 7.619 0.000) 8.151 2.561 ( 4.432 3.058 0.000) 5.384 2.693 ( -0.337 23.384 0.000) 23.387 3.051 ( -1.041 2.244 0.000) 2.473 3.186 ( 2.507 1.446 0.000) 2.894 3.258 ( 3.015 7.558 0.000) 8.137 3.288 ( 3.347 -0.735 0.000) 3.427 3.301 ( 2.787 -0.419 0.000) 2.819 3.327 ( 4.974 1.545 0.000) 5.208 3.444 ( -1.309 19.137 0.000) 19.182 3.604 ( 3.655 9.672 0.000) 10.339 3.760 ( -1.985 10.549 0.000) 10.734 3.802 ( 2.807 -6.539 0.000) 7.116 4.053 ( -5.483 -5.436 0.000) 7.721 4.105 ( -3.129 -2.823 0.000) 4.214 4.160 ( -0.462 -1.040 0.000) 1.138 4.568 ( 0.349 0.046 0.000) 0.352 4.597 ( -4.158 9.337 0.000) 10.221 4.742 ( 0.590 -15.425 0.000) 15.437 5.134 ( 1.109 -15.859 0.000) 15.898 5.190 ( -1.846 -2.950 0.000) 3.480 5.254 ( -0.189 -20.985 0.000) 20.986 6.068 ( -1.783 11.908 0.000) 12.040 6.239 ( -3.359 7.868 0.000) 8.555 6.383 ( 1.208 0.346 0.000) 1.257 6.486 ( 6.302 1.471 0.000) 6.471 6.611 ( -0.680 2.834 0.000) 2.914 6.716 ( -0.303 -3.610 0.000) 3.623 6.788 ( 0.306 -3.555 0.000) 3.568 6.935 ( -1.656 -8.775 0.000) 8.930 7.087 ( 0.219 0.344 0.000) 0.408 7.131 ( -0.172 2.282 0.000) 2.288 7.237 ( 2.802 -5.868 0.000) 6.503 7.422 ( 0.789 -5.676 0.000) 5.731 8.400 ( 3.853 3.206 0.000) 5.012 8.676 ( 4.135 -4.499 0.000) 6.110 8.978 ( -2.382 5.149 0.000) 5.673 9.300 ( -2.959 -4.051 0.000) 5.017 10.078 ( -0.127 8.921 0.000) 8.922 10.327 ( -8.441 7.192 0.000) 11.089 10.477 ( 0.423 -1.360 0.000) 1.425 10.570 ( 0.954 2.054 0.000) 2.265 12.281 ( 4.443 2.428 0.000) 5.063 12.555 ( 10.720 -7.263 0.000) 12.949 12.786 ( -1.058 0.721 0.000) 1.280 12.840 ( -0.055 -0.673 0.000) 0.675 14.747 ( 1.495 1.695 0.000) 2.260 15.139 ( 6.405 -12.554 0.000) 14.093 15.164 ( -3.533 0.608 0.000) 3.585 15.418 ( 1.699 -7.637 0.000) 7.824 19.875 ( 2.542 20.776 0.000) 20.931 20.906 ( 3.253 -5.090 0.000) 6.040 21.276 ( -12.303 19.818 0.000) 23.327 22.001 ( -30.914 11.785 0.000) 33.084 22.107 ( 0.531 29.275 0.000) 29.280 22.493 ( -6.904 8.686 0.000) 11.096 23.331 ( 12.526 -11.912 0.000) 17.286 24.102 ( -3.829 -22.196 0.000) 22.524 25.185 ( 1.935 1.477 0.000) 2.434 25.520 ( 0.438 -6.610 0.000) 6.625 25.537 ( 0.142 -0.430 0.000) 0.452 25.586 ( -2.191 -1.966 0.000) 2.944 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 14.294 11.463 0.000) 18.322 1.230 ( 13.962 9.253 0.000) 16.750 1.658 ( 0.473 0.319 0.000) 0.571 1.749 ( 4.428 -3.690 0.000) 5.764 1.824 ( -3.010 2.557 0.000) 3.950 1.897 ( 4.686 1.178 0.000) 4.832 2.013 ( -1.387 11.926 0.000) 12.006 2.075 ( -2.221 -5.853 0.000) 6.260 2.316 ( 0.097 17.076 0.000) 17.077 2.349 ( 6.466 13.825 0.000) 15.262 2.465 ( -1.749 11.564 0.000) 11.695 2.674 ( -1.719 19.608 0.000) 19.683 2.699 ( 8.245 6.140 0.000) 10.280 3.033 ( -0.741 3.219 0.000) 3.304 3.212 ( -3.291 9.443 0.000) 10.000 3.268 ( 4.204 7.113 0.000) 8.263 3.314 ( -5.332 8.698 0.000) 10.203 3.361 ( 2.039 1.579 0.000) 2.579 3.449 ( 9.218 -5.148 0.000) 10.558 3.518 ( 7.438 8.248 0.000) 11.106 3.694 ( 2.661 4.364 0.000) 5.111 3.712 ( -2.512 9.814 0.000) 10.130 3.867 ( 2.785 -8.542 0.000) 8.984 3.972 ( -0.212 -2.900 0.000) 2.908 4.035 ( -3.751 -3.543 0.000) 5.159 4.143 ( -0.969 1.064 0.000) 1.439 4.497 ( -4.982 9.636 0.000) 10.848 4.535 ( -3.410 -8.177 0.000) 8.860 4.796 ( 4.549 -6.741 0.000) 8.133 5.123 ( -4.302 0.670 0.000) 4.354 5.167 ( 1.599 -18.381 0.000) 18.451 5.245 ( -0.665 -20.045 0.000) 20.056 6.032 ( -1.244 12.391 0.000) 12.453 6.174 ( -3.441 8.952 0.000) 9.591 6.411 ( 1.445 -0.518 0.000) 1.535 6.539 ( -0.756 -0.762 0.000) 1.073 6.607 ( 0.503 1.980 0.000) 2.043 6.726 ( 0.615 -2.831 0.000) 2.897 6.770 ( -1.507 -2.872 0.000) 3.244 6.889 ( -2.745 -7.135 0.000) 7.645 7.100 ( 1.020 -0.152 0.000) 1.032 7.132 ( 0.202 1.855 0.000) 1.866 7.318 ( 4.538 -9.418 0.000) 10.454 7.436 ( 0.387 -7.181 0.000) 7.192 8.506 ( 6.427 3.847 0.000) 7.491 8.790 ( 6.873 -4.307 0.000) 8.111 8.905 ( -4.788 5.060 0.000) 6.966 9.216 ( -5.281 -3.843 0.000) 6.531 10.076 ( -0.042 9.526 0.000) 9.526 10.184 ( -5.396 10.616 0.000) 11.909 10.490 ( 0.870 -0.876 0.000) 1.235 10.566 ( -0.997 2.245 0.000) 2.456 12.402 ( 7.086 2.321 0.000) 7.457 12.743 ( 6.779 -9.312 0.000) 11.519 12.749 ( -2.766 0.881 0.000) 2.903 12.840 ( 0.113 -1.543 0.000) 1.547 14.793 ( 3.126 1.978 0.000) 3.699 15.076 ( -4.950 1.659 0.000) 5.220 15.285 ( 7.055 -17.590 0.000) 18.952 15.448 ( 1.019 -10.526 0.000) 10.576 19.956 ( 5.660 22.874 0.000) 23.564 20.855 ( -25.759 27.426 0.000) 37.626 21.001 ( 6.096 -2.983 0.000) 6.787 21.547 ( -13.929 16.385 0.000) 21.506 22.127 ( 1.555 26.770 0.000) 26.815 22.369 ( -5.954 10.633 0.000) 12.186 23.536 ( 8.629 -13.684 0.000) 16.178 23.996 ( -6.386 -20.080 0.000) 21.071 25.236 ( 3.114 0.909 0.000) 3.244 25.503 ( -3.955 -1.166 0.000) 4.123 25.534 ( 0.903 -6.390 0.000) 6.454 25.559 ( 0.013 -2.296 0.000) 2.296 ======================= Grid point 17 (12/64) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 9.319 8.822 0.000) 12.832 1.454 ( 5.460 6.564 0.000) 8.538 1.649 ( 0.936 3.664 0.000) 3.781 1.743 ( -5.473 2.946 0.000) 6.216 1.850 ( 5.195 0.649 0.000) 5.235 1.950 ( -4.442 6.054 0.000) 7.508 1.991 ( 3.762 -1.662 0.000) 4.113 2.038 ( -1.501 -3.009 0.000) 3.363 2.342 ( 2.620 17.784 0.000) 17.976 2.406 ( -3.008 11.381 0.000) 11.772 2.499 ( 6.683 18.713 0.000) 19.870 2.614 ( -4.379 16.750 0.000) 17.313 2.875 ( 8.739 6.661 0.000) 10.988 3.006 ( -3.075 6.166 0.000) 6.890 3.156 ( -1.507 8.915 0.000) 9.042 3.188 ( -5.281 8.327 0.000) 9.860 3.343 ( 2.931 7.808 0.000) 8.340 3.379 ( -0.481 3.746 0.000) 3.777 3.616 ( 5.884 -5.154 0.000) 7.822 3.649 ( 4.274 4.427 0.000) 6.153 3.669 ( -1.413 3.103 0.000) 3.410 3.690 ( -1.369 0.037 0.000) 1.369 3.890 ( 1.075 -2.504 0.000) 2.725 3.950 ( -4.466 -3.284 0.000) 5.544 4.056 ( 5.260 -0.326 0.000) 5.270 4.122 ( -1.512 3.293 0.000) 3.623 4.429 ( -1.090 3.039 0.000) 3.228 4.459 ( -3.430 -7.471 0.000) 8.221 4.903 ( 5.726 -2.773 0.000) 6.362 5.019 ( -5.643 -0.933 0.000) 5.719 5.200 ( 1.516 -18.036 0.000) 18.099 5.227 ( -1.140 -19.019 0.000) 19.053 6.035 ( 1.781 12.130 0.000) 12.260 6.097 ( -3.890 10.721 0.000) 11.405 6.444 ( 1.977 -0.900 0.000) 2.172 6.494 ( -2.845 -0.864 0.000) 2.974 6.636 ( 2.300 0.573 0.000) 2.370 6.692 ( -3.007 -1.087 0.000) 3.198 6.782 ( 2.082 -3.702 0.000) 4.247 6.832 ( -2.752 -5.177 0.000) 5.863 7.122 ( 0.982 -0.005 0.000) 0.982 7.134 ( -0.158 0.855 0.000) 0.870 7.396 ( 2.842 -9.850 0.000) 10.252 7.432 ( -0.873 -8.701 0.000) 8.744 8.647 ( 7.256 4.488 0.000) 8.532 8.789 ( -6.580 4.901 0.000) 8.205 8.940 ( 7.736 -4.081 0.000) 8.746 9.091 ( -7.001 -3.897 0.000) 8.013 10.081 ( 0.624 10.352 0.000) 10.371 10.108 ( -2.332 11.040 0.000) 11.284 10.512 ( 1.277 0.029 0.000) 1.277 10.540 ( -1.450 1.244 0.000) 1.911 12.547 ( 6.955 1.937 0.000) 7.220 12.670 ( -5.064 1.342 0.000) 5.239 12.827 ( 1.966 -6.449 0.000) 6.742 12.843 ( -0.042 -3.442 0.000) 3.442 14.871 ( 4.531 2.289 0.000) 5.076 14.971 ( -5.225 2.276 0.000) 5.700 15.399 ( 4.091 -17.564 0.000) 18.034 15.450 ( -1.030 -14.275 0.000) 14.312 20.114 ( 10.452 26.206 0.000) 28.214 20.398 ( -18.253 29.466 0.000) 34.662 21.146 ( 8.156 1.185 0.000) 8.242 21.325 ( -9.520 7.913 0.000) 12.379 22.174 ( 3.177 22.422 0.000) 22.646 22.257 ( -4.950 16.503 0.000) 17.229 23.699 ( 7.827 -15.363 0.000) 17.242 23.854 ( -7.489 -17.611 0.000) 19.137 25.312 ( 4.415 0.421 0.000) 4.435 25.409 ( -4.997 -0.335 0.000) 5.008 25.552 ( 0.691 -5.598 0.000) 5.640 25.560 ( -0.122 -4.138 0.000) 4.140 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 22.066 0.000) 22.066 1.190 ( 0.000 14.363 0.000) 14.363 1.418 ( 0.000 -8.005 0.000) 8.005 1.599 ( 0.000 -20.967 0.000) 20.967 1.651 ( 0.000 1.211 0.000) 1.211 1.735 ( 0.000 -5.466 0.000) 5.466 2.145 ( 0.000 5.960 0.000) 5.960 2.266 ( 0.000 -5.309 0.000) 5.309 2.298 ( 0.000 10.678 0.000) 10.678 2.473 ( 0.000 -5.446 0.000) 5.446 2.577 ( 0.000 10.222 0.000) 10.222 2.760 ( 0.000 -7.065 0.000) 7.065 2.922 ( 0.000 20.849 0.000) 20.849 3.163 ( 0.000 -0.188 0.000) 0.188 3.164 ( 0.000 -1.415 0.000) 1.415 3.233 ( 0.000 -8.684 0.000) 8.684 3.268 ( 0.000 0.245 0.000) 0.245 3.270 ( 0.000 0.065 0.000) 0.065 3.563 ( 0.000 28.825 0.000) 28.825 3.756 ( 0.000 4.108 0.000) 4.108 3.815 ( 0.000 11.254 0.000) 11.254 3.826 ( 0.000 1.727 0.000) 1.727 4.026 ( 0.000 10.468 0.000) 10.468 4.068 ( 0.000 -4.836 0.000) 4.836 4.097 ( 0.000 -4.124 0.000) 4.124 4.140 ( 0.000 16.028 0.000) 16.028 4.329 ( 0.000 -17.259 0.000) 17.259 4.612 ( 0.000 -22.003 0.000) 22.003 4.637 ( 0.000 2.874 0.000) 2.874 4.825 ( 0.000 -16.866 0.000) 16.866 4.913 ( 0.000 8.792 0.000) 8.792 5.109 ( 0.000 -7.572 0.000) 7.572 6.289 ( 0.000 7.074 0.000) 7.074 6.373 ( 0.000 -1.194 0.000) 1.194 6.434 ( 0.000 3.999 0.000) 3.999 6.460 ( 0.000 2.511 0.000) 2.511 6.655 ( 0.000 -1.111 0.000) 1.111 6.675 ( 0.000 2.806 0.000) 2.806 6.697 ( 0.000 -3.830 0.000) 3.830 6.774 ( 0.000 -6.983 0.000) 6.983 7.107 ( 0.000 1.380 0.000) 1.380 7.147 ( 0.000 -2.507 0.000) 2.507 7.201 ( 0.000 4.172 0.000) 4.172 7.303 ( 0.000 -5.307 0.000) 5.307 8.432 ( 0.000 4.051 0.000) 4.051 8.529 ( 0.000 -5.034 0.000) 5.034 9.116 ( 0.000 5.557 0.000) 5.557 9.230 ( 0.000 -5.246 0.000) 5.246 10.261 ( 0.000 8.121 0.000) 8.121 10.403 ( 0.000 -5.202 0.000) 5.202 10.523 ( 0.000 2.042 0.000) 2.042 10.543 ( 0.000 0.060 0.000) 0.060 12.296 ( 0.000 3.242 0.000) 3.242 12.364 ( 0.000 -3.059 0.000) 3.059 12.813 ( 0.000 0.821 0.000) 0.821 12.829 ( 0.000 -0.698 0.000) 0.698 14.787 ( 0.000 3.837 0.000) 3.837 14.899 ( 0.000 -6.941 0.000) 6.941 15.218 ( 0.000 1.623 0.000) 1.623 15.279 ( 0.000 -4.369 0.000) 4.369 20.281 ( 0.000 20.045 0.000) 20.045 20.652 ( 0.000 -14.698 0.000) 14.698 21.811 ( 0.000 19.344 0.000) 19.344 22.160 ( 0.000 -13.562 0.000) 13.562 22.822 ( 0.000 36.438 0.000) 36.438 22.825 ( 0.000 6.401 0.000) 6.401 22.961 ( 0.000 -6.348 0.000) 6.348 23.555 ( 0.000 -32.384 0.000) 32.384 25.237 ( 0.000 4.981 0.000) 4.981 25.367 ( 0.000 -7.122 0.000) 7.122 25.544 ( 0.000 0.770 0.000) 0.770 25.569 ( 0.000 -1.627 0.000) 1.627 ======================= Grid point 22 (14/64) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 8.209 19.579 0.000) 21.231 1.257 ( 6.395 12.456 0.000) 14.002 1.468 ( 4.753 -8.004 0.000) 9.309 1.637 ( 3.814 -18.110 0.000) 18.507 1.681 ( 2.779 2.696 0.000) 3.872 1.777 ( 3.682 -5.130 0.000) 6.315 2.099 ( -4.196 4.590 0.000) 6.219 2.185 ( -4.973 -1.700 0.000) 5.256 2.383 ( 5.389 7.028 0.000) 8.856 2.519 ( 3.858 -3.948 0.000) 5.520 2.574 ( -0.228 9.991 0.000) 9.994 2.752 ( -0.728 -6.895 0.000) 6.934 2.962 ( 3.608 18.949 0.000) 19.290 3.170 ( 2.744 -2.955 0.000) 4.032 3.239 ( 6.159 0.084 0.000) 6.159 3.283 ( 1.116 2.569 0.000) 2.801 3.298 ( 2.414 -0.067 0.000) 2.415 3.324 ( 7.066 -5.482 0.000) 8.943 3.592 ( 2.473 25.809 0.000) 25.927 3.695 ( -4.556 5.251 0.000) 6.952 3.790 ( -2.310 12.016 0.000) 12.237 3.804 ( -2.744 -2.926 0.000) 4.011 4.002 ( -3.136 11.121 0.000) 11.554 4.035 ( -2.200 -3.792 0.000) 4.384 4.092 ( -0.200 -6.670 0.000) 6.673 4.138 ( 0.022 18.097 0.000) 18.097 4.307 ( -1.701 -16.699 0.000) 16.785 4.607 ( -0.706 -20.355 0.000) 20.368 4.665 ( 2.610 2.095 0.000) 3.347 4.837 ( 1.077 -15.895 0.000) 15.931 4.904 ( -0.929 7.856 0.000) 7.911 5.100 ( -1.104 -7.639 0.000) 7.719 6.276 ( -1.115 7.546 0.000) 7.628 6.374 ( 0.056 -1.941 0.000) 1.942 6.400 ( -1.703 6.776 0.000) 6.987 6.497 ( 1.440 -1.828 0.000) 2.327 6.664 ( -0.839 2.973 0.000) 3.089 6.664 ( 1.028 -0.193 0.000) 1.046 6.709 ( 0.724 -3.581 0.000) 3.653 6.765 ( -0.813 -6.832 0.000) 6.880 7.103 ( -0.155 1.306 0.000) 1.315 7.147 ( 0.357 -3.045 0.000) 3.066 7.198 ( -0.233 4.190 0.000) 4.197 7.303 ( -0.076 -5.551 0.000) 5.552 8.477 ( 4.245 4.158 0.000) 5.943 8.573 ( 4.284 -4.979 0.000) 6.568 9.090 ( -2.539 5.457 0.000) 6.019 9.202 ( -2.726 -5.138 0.000) 5.816 10.264 ( 0.284 8.294 0.000) 8.299 10.409 ( 0.531 -5.249 0.000) 5.276 10.465 ( -3.752 5.841 0.000) 6.943 10.559 ( -0.038 -2.821 0.000) 2.821 12.346 ( 4.761 3.773 0.000) 6.075 12.436 ( 6.357 -4.791 0.000) 7.961 12.804 ( -0.914 0.931 0.000) 1.305 12.823 ( -0.556 -0.905 0.000) 1.062 14.805 ( 1.822 4.091 0.000) 4.479 14.928 ( 2.792 -7.865 0.000) 8.346 15.194 ( -2.220 2.515 0.000) 3.354 15.277 ( -0.466 -5.472 0.000) 5.492 20.318 ( 3.631 20.389 0.000) 20.709 20.691 ( 3.913 -14.650 0.000) 15.164 21.677 ( -12.922 17.417 0.000) 21.687 21.970 ( -16.456 -9.768 0.000) 19.137 22.773 ( -2.117 14.897 0.000) 15.047 22.813 ( -0.823 35.838 0.000) 35.847 23.069 ( 6.869 -13.271 0.000) 14.944 23.533 ( -2.184 -31.636 0.000) 31.711 25.249 ( 1.214 4.648 0.000) 4.804 25.374 ( 0.705 -6.906 0.000) 6.942 25.534 ( -1.044 0.276 0.000) 1.080 25.551 ( -1.677 -1.315 0.000) 2.131 ======================= Grid point 23 (15/64) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 9.588 9.005 0.000) 13.154 1.436 ( 10.682 15.560 0.000) 18.874 1.598 ( 7.696 -7.289 0.000) 10.599 1.744 ( 6.058 -12.054 0.000) 13.491 1.745 ( 2.871 5.121 0.000) 5.871 1.859 ( 3.940 -4.551 0.000) 6.019 1.993 ( -5.983 2.395 0.000) 6.445 2.072 ( -6.307 -3.268 0.000) 7.104 2.495 ( 5.180 7.301 0.000) 8.952 2.573 ( 0.177 9.206 0.000) 9.208 2.602 ( 3.996 -1.815 0.000) 4.388 2.733 ( -1.079 -6.026 0.000) 6.122 3.060 ( 6.266 16.653 0.000) 17.792 3.286 ( 8.216 -5.923 0.000) 10.128 3.299 ( 0.475 6.407 0.000) 6.424 3.344 ( 1.558 -0.277 0.000) 1.582 3.374 ( 6.022 3.876 0.000) 7.161 3.432 ( 1.126 3.896 0.000) 4.055 3.602 ( -3.410 20.077 0.000) 20.365 3.636 ( 0.128 -1.579 0.000) 1.584 3.744 ( -1.173 -6.732 0.000) 6.834 3.751 ( -1.005 8.922 0.000) 8.978 3.900 ( -6.182 6.161 0.000) 8.727 3.990 ( -2.511 -0.052 0.000) 2.512 4.095 ( 0.383 -5.361 0.000) 5.374 4.144 ( 0.455 18.494 0.000) 18.500 4.296 ( 1.679 -12.056 0.000) 12.172 4.575 ( -2.580 -15.019 0.000) 15.239 4.731 ( 3.627 -0.317 0.000) 3.641 4.862 ( 1.273 -13.523 0.000) 13.583 4.877 ( -1.667 3.618 0.000) 3.984 5.055 ( -3.443 -7.477 0.000) 8.232 6.255 ( -0.665 8.417 0.000) 8.444 6.364 ( -2.137 8.290 0.000) 8.561 6.376 ( 0.341 -3.325 0.000) 3.343 6.496 ( -1.544 -3.994 0.000) 4.282 6.652 ( -0.178 2.922 0.000) 2.927 6.687 ( 0.780 -0.414 0.000) 0.883 6.711 ( -0.529 -2.368 0.000) 2.426 6.745 ( -1.013 -6.015 0.000) 6.099 7.111 ( 1.089 1.539 0.000) 1.886 7.174 ( 2.368 -4.713 0.000) 5.274 7.191 ( -0.552 3.935 0.000) 3.974 7.296 ( -0.626 -5.991 0.000) 6.023 8.593 ( 6.969 4.426 0.000) 8.256 8.691 ( 7.067 -4.873 0.000) 8.584 9.014 ( -4.961 5.258 0.000) 7.229 9.122 ( -5.161 -4.951 0.000) 7.152 10.273 ( 0.697 8.799 0.000) 8.826 10.390 ( -3.424 8.930 0.000) 9.564 10.425 ( 1.155 -5.376 0.000) 5.499 10.539 ( -1.762 -4.675 0.000) 4.996 12.470 ( 6.918 4.219 0.000) 8.103 12.580 ( 7.073 -6.413 0.000) 9.547 12.773 ( -2.245 1.391 0.000) 2.641 12.806 ( -1.235 -1.687 0.000) 2.091 14.860 ( 3.609 4.693 0.000) 5.920 15.006 ( 4.693 -9.669 0.000) 10.747 15.133 ( -3.780 4.029 0.000) 5.525 15.253 ( -1.947 -7.642 0.000) 7.886 20.430 ( 7.603 21.257 0.000) 22.576 20.810 ( 7.800 -14.343 0.000) 16.326 21.326 ( -20.165 18.300 0.000) 27.231 21.609 ( -17.720 -7.650 0.000) 19.301 22.752 ( -0.276 22.278 0.000) 22.280 22.792 ( -1.191 34.073 0.000) 34.093 23.194 ( 5.469 -18.988 0.000) 19.759 23.472 ( -3.722 -29.579 0.000) 29.812 25.286 ( 2.426 3.949 0.000) 4.634 25.397 ( 1.559 -6.338 0.000) 6.527 25.492 ( -3.100 0.268 0.000) 3.112 25.514 ( -1.737 -1.745 0.000) 2.462 ======================= Grid point 24 (16/64) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 7.595 7.791 0.000) 10.880 1.621 ( 6.539 12.547 0.000) 14.149 1.753 ( 5.024 -1.031 0.000) 5.129 1.780 ( 2.983 1.792 0.000) 3.480 1.812 ( -2.639 1.620 0.000) 3.097 1.896 ( -1.835 -7.105 0.000) 7.338 1.917 ( 1.294 -5.867 0.000) 6.008 1.937 ( -5.715 -4.519 0.000) 7.286 2.570 ( 1.979 6.970 0.000) 7.245 2.581 ( 0.400 7.941 0.000) 7.951 2.670 ( 2.636 -1.654 0.000) 3.112 2.709 ( -1.397 -3.885 0.000) 4.129 3.213 ( 8.258 14.668 0.000) 16.833 3.310 ( 0.687 6.296 0.000) 6.334 3.345 ( -1.978 5.219 0.000) 5.582 3.364 ( -3.081 7.468 0.000) 8.079 3.442 ( 1.177 1.276 0.000) 1.736 3.489 ( -5.403 13.761 0.000) 14.783 3.498 ( 9.421 -2.473 0.000) 9.740 3.668 ( 3.599 0.852 0.000) 3.699 3.679 ( -7.088 -1.873 0.000) 7.331 3.773 ( -6.089 5.035 0.000) 7.901 3.817 ( 6.234 -8.913 0.000) 10.876 3.927 ( -4.203 -5.286 0.000) 6.754 4.119 ( 1.997 6.449 0.000) 6.751 4.148 ( -0.425 14.931 0.000) 14.937 4.381 ( 5.899 -6.603 0.000) 8.854 4.498 ( -5.087 -8.258 0.000) 9.700 4.800 ( 2.857 -3.765 0.000) 4.726 4.842 ( -1.694 -2.729 0.000) 3.212 4.895 ( 2.490 -9.892 0.000) 10.201 4.970 ( -4.509 -7.531 0.000) 8.778 6.262 ( 1.535 8.886 0.000) 9.018 6.311 ( -2.943 8.808 0.000) 9.287 6.396 ( 1.794 -4.022 0.000) 4.404 6.446 ( -2.914 -4.096 0.000) 5.027 6.658 ( 0.769 1.946 0.000) 2.093 6.679 ( -1.181 0.260 0.000) 1.209 6.711 ( 0.617 -2.725 0.000) 2.794 6.726 ( -0.850 -4.477 0.000) 4.556 7.142 ( 1.777 2.349 0.000) 2.945 7.174 ( -1.217 3.255 0.000) 3.475 7.230 ( 2.711 -6.027 0.000) 6.609 7.274 ( -1.631 -6.268 0.000) 6.477 8.744 ( 7.724 4.750 0.000) 9.068 8.845 ( 7.876 -4.813 0.000) 9.230 8.894 ( -6.867 5.035 0.000) 8.515 8.998 ( -7.040 -4.837 0.000) 8.542 10.294 ( 1.393 9.485 0.000) 9.587 10.331 ( -2.395 9.845 0.000) 10.132 10.455 ( 1.818 -5.491 0.000) 5.785 10.497 ( -2.208 -5.375 0.000) 5.810 12.605 ( 6.146 3.630 0.000) 7.138 12.700 ( 4.657 -5.423 0.000) 7.148 12.709 ( -4.141 2.403 0.000) 4.788 12.770 ( -2.445 -3.323 0.000) 4.126 14.946 ( 4.783 5.196 0.000) 7.062 15.045 ( -4.794 5.046 0.000) 6.960 15.106 ( 4.964 -10.516 0.000) 11.629 15.196 ( -3.750 -9.644 0.000) 10.347 20.630 ( 12.363 22.018 0.000) 25.252 20.933 ( -17.713 21.341 0.000) 27.734 21.006 ( 11.622 -13.258 0.000) 17.631 21.276 ( -15.099 -10.744 0.000) 18.531 22.755 ( 0.452 27.374 0.000) 27.377 22.769 ( -0.988 31.232 0.000) 31.248 23.295 ( 4.766 -23.094 0.000) 23.581 23.388 ( -4.443 -26.619 0.000) 26.987 25.346 ( 3.457 2.953 0.000) 4.546 25.421 ( -3.802 1.609 0.000) 4.129 25.434 ( 2.062 -5.241 0.000) 5.632 25.476 ( -2.055 -3.560 0.000) 4.111 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 0.000 0.000 17.318) 17.318 0.367 ( 0.000 0.000 17.872) 17.872 0.501 ( 0.000 0.000 24.883) 24.883 1.064 ( 0.000 0.000 -1.063) 1.063 1.799 ( 0.000 0.000 -10.905) 10.905 1.874 ( 0.000 0.000 7.590) 7.590 1.927 ( 0.000 0.000 0.929) 0.929 2.002 ( 0.000 0.000 9.718) 9.718 2.039 ( 0.000 0.000 2.012) 2.012 2.044 ( 0.000 0.000 -3.207) 3.207 2.358 ( 0.000 0.000 -0.955) 0.955 2.378 ( 0.000 0.000 -16.775) 16.775 2.625 ( 0.000 0.000 -3.102) 3.102 2.629 ( 0.000 0.000 4.450) 4.450 2.841 ( 0.000 0.000 3.023) 3.023 2.924 ( 0.000 0.000 6.692) 6.692 3.044 ( 0.000 0.000 -7.899) 7.899 3.207 ( 0.000 0.000 4.588) 4.588 3.356 ( 0.000 0.000 5.283) 5.283 3.368 ( 0.000 0.000 7.584) 7.584 3.451 ( 0.000 0.000 9.691) 9.691 3.663 ( 0.000 0.000 8.146) 8.146 3.861 ( 0.000 0.000 -16.398) 16.398 4.166 ( 0.000 0.000 -8.851) 8.851 4.225 ( 0.000 0.000 -3.953) 3.953 4.318 ( 0.000 0.000 -5.487) 5.487 4.373 ( 0.000 0.000 3.407) 3.407 4.454 ( 0.000 0.000 -0.700) 0.700 4.786 ( 0.000 0.000 1.370) 1.370 5.356 ( 0.000 0.000 -12.379) 12.379 5.508 ( 0.000 0.000 3.709) 3.709 5.685 ( 0.000 0.000 4.372) 4.372 5.833 ( 0.000 0.000 -0.734) 0.734 6.101 ( 0.000 0.000 -4.016) 4.016 6.128 ( 0.000 0.000 1.888) 1.888 6.405 ( 0.000 0.000 -3.238) 3.238 6.829 ( 0.000 0.000 0.373) 0.373 6.865 ( 0.000 0.000 1.066) 1.066 7.092 ( 0.000 0.000 1.802) 1.802 7.100 ( 0.000 0.000 2.107) 2.107 7.232 ( 0.000 0.000 0.906) 0.906 7.395 ( 0.000 0.000 7.045) 7.045 7.502 ( 0.000 0.000 -3.079) 3.079 8.266 ( 0.000 0.000 -7.459) 7.459 8.319 ( 0.000 0.000 3.105) 3.105 8.702 ( 0.000 0.000 -3.149) 3.149 8.916 ( 0.000 0.000 4.680) 4.680 9.331 ( 0.000 0.000 -1.456) 1.456 9.774 ( 0.000 0.000 -0.216) 0.216 9.845 ( 0.000 0.000 -0.820) 0.820 10.372 ( 0.000 0.000 0.801) 0.801 10.464 ( 0.000 0.000 -0.628) 0.628 12.209 ( 0.000 0.000 2.286) 2.286 12.436 ( 0.000 0.000 -1.389) 1.389 12.812 ( 0.000 0.000 0.098) 0.098 12.845 ( 0.000 0.000 -0.431) 0.431 14.732 ( 0.000 0.000 2.618) 2.618 15.142 ( 0.000 0.000 -5.383) 5.383 15.367 ( 0.000 0.000 4.720) 4.720 15.759 ( 0.000 0.000 -3.129) 3.129 19.339 ( 0.000 0.000 0.111) 0.111 19.352 ( 0.000 0.000 -0.094) 0.094 20.795 ( 0.000 0.000 0.520) 0.520 20.871 ( 0.000 0.000 -0.681) 0.681 22.552 ( 0.000 0.000 3.912) 3.912 23.132 ( 0.000 0.000 -6.145) 6.145 23.365 ( 0.000 0.000 7.679) 7.679 24.482 ( 0.000 0.000 -13.159) 13.159 25.246 ( 0.000 0.000 9.122) 9.122 25.662 ( 0.000 0.000 -1.000) 1.000 25.754 ( 0.000 0.000 8.154) 8.154 26.612 ( 0.000 0.000 -5.760) 5.760 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 20.445 0.000 1.942) 20.537 0.425 ( 5.360 0.000 14.558) 15.514 0.905 ( 23.493 0.000 16.739) 28.847 1.051 ( -1.412 0.000 -1.118) 1.801 1.759 ( -2.683 0.000 -6.351) 6.894 1.894 ( -2.476 0.000 0.468) 2.520 1.931 ( -4.060 0.000 -0.463) 4.087 1.958 ( 4.366 0.000 5.655) 7.144 1.999 ( -0.310 0.000 8.891) 8.896 2.065 ( 1.418 0.000 -2.527) 2.897 2.308 ( -4.243 0.000 -1.484) 4.496 2.449 ( 1.255 0.000 -18.581) 18.624 2.653 ( 2.062 0.000 4.079) 4.571 2.676 ( 4.797 0.000 -0.735) 4.853 2.867 ( 2.230 0.000 2.671) 3.480 2.927 ( 0.285 0.000 6.516) 6.522 3.072 ( 1.130 0.000 -7.978) 8.058 3.315 ( 7.593 0.000 0.007) 7.593 3.353 ( 2.583 0.000 3.844) 4.632 3.414 ( 3.639 0.000 4.444) 5.743 3.546 ( 8.074 0.000 11.364) 13.940 3.614 ( -4.697 0.000 7.689) 9.010 3.937 ( 7.059 0.000 -15.736) 17.246 4.054 ( -6.259 0.000 -8.848) 10.838 4.231 ( -1.816 0.000 -2.938) 3.454 4.344 ( 1.411 0.000 -4.947) 5.144 4.391 ( 1.676 0.000 2.605) 3.097 4.392 ( -5.722 0.000 1.153) 5.837 4.785 ( -0.030 0.000 1.158) 1.159 5.319 ( -3.753 0.000 -11.922) 12.499 5.529 ( 1.946 0.000 4.447) 4.854 5.674 ( -0.801 0.000 4.302) 4.376 5.819 ( -1.348 0.000 -0.644) 1.494 6.051 ( -2.412 0.000 -3.355) 4.132 6.217 ( 4.919 0.000 -2.559) 5.545 6.419 ( 1.356 0.000 -2.583) 2.917 6.800 ( -1.648 0.000 1.502) 2.230 6.875 ( -0.202 0.000 1.364) 1.379 7.056 ( -6.612 0.000 4.908) 8.235 7.095 ( 0.201 0.000 1.325) 1.340 7.149 ( -4.903 0.000 5.485) 7.357 7.255 ( -7.781 0.000 10.964) 13.444 7.541 ( 3.008 0.000 -3.712) 4.778 7.958 ( -12.839 0.000 5.245) 13.868 8.351 ( 3.027 0.000 3.196) 4.403 8.742 ( 3.782 0.000 -3.265) 4.996 8.887 ( -2.767 0.000 4.601) 5.369 9.312 ( -1.998 0.000 -1.848) 2.721 9.770 ( -0.191 0.000 0.012) 0.191 9.842 ( -0.368 0.000 -0.368) 0.520 10.378 ( 0.614 0.000 0.636) 0.885 10.462 ( -0.213 0.000 -0.621) 0.656 12.253 ( 4.660 0.000 2.091) 5.108 12.727 ( 5.679 0.000 -7.381) 9.313 12.845 ( 0.777 0.000 -1.468) 1.661 12.883 ( 8.442 0.000 -10.509) 13.480 14.740 ( 1.156 0.000 2.423) 2.685 15.167 ( -2.809 0.000 -1.418) 3.146 15.509 ( 10.407 0.000 -8.642) 13.527 15.887 ( 9.187 0.000 -15.313) 17.858 19.342 ( 0.253 0.000 0.105) 0.274 19.354 ( 0.148 0.000 -0.084) 0.171 20.797 ( 0.242 0.000 0.463) 0.522 20.865 ( -0.492 0.000 -0.620) 0.791 22.441 ( -26.883 0.000 29.793) 40.129 22.514 ( -10.711 0.000 11.473) 15.695 23.617 ( 9.210 0.000 -5.962) 10.971 24.436 ( -4.697 0.000 -12.145) 13.021 25.286 ( 2.977 0.000 7.505) 8.074 25.665 ( 0.178 0.000 -0.707) 0.729 25.719 ( -3.349 0.000 7.607) 8.312 26.042 ( -26.185 0.000 23.472) 35.165 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 8.147 0.000 8.808) 11.998 0.776 ( 22.936 0.000 -8.079) 24.317 0.999 ( -3.894 0.000 -0.778) 3.971 1.304 ( 14.239 0.000 9.995) 17.397 1.713 ( -1.407 0.000 -5.350) 5.532 1.847 ( -4.084 0.000 -0.326) 4.097 1.856 ( -0.784 0.000 0.542) 0.954 1.980 ( -1.890 0.000 5.517) 5.831 2.071 ( 5.856 0.000 3.057) 6.606 2.091 ( 1.237 0.000 -0.860) 1.507 2.218 ( -4.090 0.000 -0.997) 4.209 2.398 ( -4.982 0.000 -10.362) 11.497 2.742 ( 6.633 0.000 2.268) 7.010 2.795 ( 5.958 0.000 2.810) 6.588 2.911 ( 0.974 0.000 2.772) 2.938 2.951 ( 3.645 0.000 5.625) 6.703 3.072 ( -1.325 0.000 -5.403) 5.564 3.369 ( 2.594 0.000 -0.715) 2.691 3.482 ( -8.178 0.000 7.365) 11.006 3.506 ( 5.059 0.000 1.097) 5.176 3.531 ( 8.488 0.000 -5.433) 10.078 3.711 ( 6.937 0.000 10.015) 12.183 3.954 ( -2.824 0.000 -5.968) 6.602 4.119 ( 10.175 0.000 -14.559) 17.762 4.177 ( -4.584 0.000 -5.685) 7.303 4.253 ( -4.982 0.000 3.651) 6.177 4.346 ( -2.035 0.000 1.414) 2.478 4.428 ( 1.471 0.000 -0.306) 1.503 4.793 ( 1.239 0.000 0.728) 1.437 5.202 ( -7.779 0.000 -9.675) 12.414 5.590 ( 4.347 0.000 5.413) 6.942 5.666 ( 0.296 0.000 3.303) 3.316 5.781 ( -2.274 0.000 -0.281) 2.292 5.982 ( -4.874 0.000 -1.520) 5.106 6.307 ( 4.121 0.000 -4.094) 5.809 6.448 ( 1.027 0.000 -1.166) 1.554 6.776 ( -0.978 0.000 5.373) 5.461 6.855 ( -0.745 0.000 1.925) 2.064 6.892 ( -6.527 0.000 9.049) 11.157 7.097 ( -1.957 0.000 1.091) 2.241 7.116 ( -0.888 0.000 1.422) 1.677 7.132 ( -2.863 0.000 4.563) 5.387 7.605 ( 3.121 0.000 -5.173) 6.041 7.803 ( -4.837 0.000 -1.636) 5.106 8.437 ( 5.324 0.000 3.409) 6.322 8.797 ( -3.855 0.000 2.819) 4.775 8.858 ( 5.292 0.000 -1.913) 5.628 9.247 ( -4.436 0.000 -2.664) 5.175 9.771 ( 0.370 0.000 0.603) 0.708 9.829 ( -0.889 0.000 0.452) 0.997 10.395 ( 1.050 0.000 0.263) 1.082 10.455 ( -0.547 0.000 -0.566) 0.787 12.378 ( 7.285 0.000 2.123) 7.589 12.730 ( -2.341 0.000 -0.307) 2.361 12.863 ( 1.372 0.000 -1.467) 2.008 12.983 ( 0.793 0.000 -9.447) 9.480 14.781 ( 2.837 0.000 2.293) 3.648 15.071 ( -5.753 0.000 1.550) 5.958 15.684 ( 7.489 0.000 -7.386) 10.519 15.991 ( 0.597 0.000 -16.837) 16.848 19.348 ( 0.361 0.000 0.083) 0.371 19.357 ( 0.138 0.000 -0.054) 0.149 20.804 ( 0.507 0.000 0.300) 0.589 20.852 ( -0.817 0.000 -0.449) 0.932 22.078 ( -7.153 0.000 28.191) 29.084 22.362 ( -8.229 0.000 6.411) 10.431 23.781 ( 7.947 0.000 -5.518) 9.674 24.303 ( -8.047 0.000 -9.932) 12.783 25.340 ( 2.493 0.000 7.496) 7.900 25.626 ( -5.680 0.000 6.757) 8.827 25.670 ( 0.457 0.000 0.824) 0.943 25.769 ( -5.048 0.000 9.996) 11.198 ======================= Grid point 52 (20/64) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 8.403 0.000 4.089) 9.345 0.891 ( -6.711 0.000 0.864) 6.766 1.190 ( 17.159 0.000 -8.701) 19.240 1.416 ( -3.680 0.000 -2.925) 4.701 1.713 ( 1.342 0.000 -2.691) 3.007 1.763 ( -3.686 0.000 1.943) 4.167 1.869 ( 1.943 0.000 0.862) 2.126 1.925 ( -3.203 0.000 2.113) 3.837 2.118 ( 1.473 0.000 0.452) 1.541 2.154 ( -2.301 0.000 0.287) 2.319 2.191 ( 5.796 0.000 0.801) 5.851 2.296 ( -4.813 0.000 -2.696) 5.516 2.878 ( 2.374 0.000 4.047) 4.692 2.891 ( 7.377 0.000 0.331) 7.385 2.908 ( -0.808 0.000 3.946) 4.028 3.014 ( -4.479 0.000 -1.843) 4.843 3.092 ( 9.406 0.000 5.364) 10.828 3.294 ( -10.093 0.000 6.692) 12.110 3.440 ( 4.414 0.000 -5.466) 7.026 3.531 ( -3.164 0.000 -6.747) 7.452 3.680 ( 6.587 0.000 -4.413) 7.928 3.773 ( -1.384 0.000 2.051) 2.474 3.980 ( 4.279 0.000 3.883) 5.778 4.062 ( -4.498 0.000 1.298) 4.682 4.221 ( 0.617 0.000 3.201) 3.260 4.275 ( -4.190 0.000 1.831) 4.572 4.311 ( 8.084 0.000 -11.281) 13.878 4.422 ( -2.713 0.000 -5.685) 6.299 4.861 ( 5.939 0.000 -1.024) 6.026 5.023 ( -9.306 0.000 -5.568) 10.845 5.688 ( 1.774 0.000 1.734) 2.481 5.707 ( 6.992 0.000 4.356) 8.238 5.732 ( -2.467 0.000 0.489) 2.515 5.856 ( -7.285 0.000 1.597) 7.458 6.385 ( 3.600 0.000 -2.781) 4.549 6.443 ( -1.729 0.000 -1.151) 2.077 6.760 ( 0.137 0.000 9.073) 9.074 6.796 ( -3.325 0.000 7.278) 8.001 6.888 ( 3.808 0.000 0.617) 3.858 6.989 ( -5.818 0.000 2.669) 6.401 7.119 ( 0.639 0.000 -0.455) 0.784 7.128 ( -0.102 0.000 -0.052) 0.115 7.665 ( 2.863 0.000 -5.920) 6.576 7.725 ( -3.220 0.000 -5.057) 5.995 8.557 ( 6.406 0.000 3.644) 7.370 8.686 ( -6.212 0.000 3.825) 7.295 8.995 ( 7.235 0.000 -3.309) 7.955 9.135 ( -6.459 0.000 -3.235) 7.224 9.785 ( 0.974 0.000 1.045) 1.429 9.808 ( -1.155 0.000 0.999) 1.527 10.418 ( 1.157 0.000 -0.119) 1.163 10.440 ( -0.932 0.000 -0.405) 1.016 12.528 ( 7.141 0.000 1.729) 7.348 12.654 ( -5.147 0.000 0.907) 5.226 12.903 ( 2.547 0.000 -2.662) 3.685 12.958 ( -2.503 0.000 -4.964) 5.559 14.853 ( 4.363 0.000 2.324) 4.943 14.954 ( -5.543 0.000 2.175) 5.954 15.825 ( 6.511 0.000 -7.943) 10.271 15.941 ( -4.683 0.000 -11.327) 12.257 19.355 ( 0.267 0.000 0.043) 0.271 19.358 ( -0.045 0.000 -0.007) 0.046 20.817 ( 0.757 0.000 0.062) 0.760 20.834 ( -0.895 0.000 -0.205) 0.918 22.063 ( 3.944 0.000 16.422) 16.889 22.192 ( -8.072 0.000 9.795) 12.692 23.948 ( 8.682 0.000 -6.340) 10.751 24.128 ( -9.000 0.000 -7.931) 11.995 25.404 ( 4.087 0.000 6.954) 8.066 25.505 ( -5.808 0.000 6.491) 8.710 25.689 ( 1.309 0.000 1.327) 1.864 25.717 ( -1.491 0.000 2.905) 3.265 ======================= Grid point 56 (21/64) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 0.000 9.109 9.510) 13.169 0.608 ( 0.000 9.772 15.657) 18.456 1.213 ( 0.000 49.163 4.810) 49.397 1.476 ( 0.000 27.094 0.682) 27.103 1.705 ( 0.000 -7.220 -10.323) 12.598 1.791 ( 0.000 -4.503 6.571) 7.965 1.962 ( 0.000 1.042 1.884) 2.153 2.072 ( 0.000 8.036 1.159) 8.119 2.088 ( 0.000 6.831 9.974) 12.089 2.169 ( 0.000 11.521 -3.010) 11.908 2.332 ( 0.000 -2.407 -11.974) 12.213 2.406 ( 0.000 3.346 -4.466) 5.580 2.474 ( 0.000 -9.405 4.553) 10.450 2.894 ( 0.000 14.100 -10.287) 17.454 2.953 ( 0.000 5.261 -3.615) 6.383 3.063 ( 0.000 4.778 -1.728) 5.081 3.125 ( 0.000 11.149 1.434) 11.241 3.284 ( 0.000 7.032 3.744) 7.967 3.344 ( 0.000 -1.730 4.640) 4.952 3.384 ( 0.000 -4.460 8.019) 9.175 3.389 ( 0.000 3.929 6.026) 7.193 3.708 ( 0.000 4.127 6.886) 8.028 3.814 ( 0.000 -4.432 -11.926) 12.723 4.135 ( 0.000 -7.274 -3.006) 7.871 4.193 ( 0.000 1.012 -5.021) 5.122 4.240 ( 0.000 -2.327 -3.660) 4.338 4.352 ( 0.000 1.388 -2.504) 2.863 4.523 ( 0.000 4.243 -1.274) 4.430 5.005 ( 0.000 11.416 -6.527) 13.150 5.118 ( 0.000 -14.878 -1.996) 15.011 5.479 ( 0.000 -11.373 2.829) 11.720 5.648 ( 0.000 -15.459 -0.609) 15.471 5.782 ( 0.000 11.598 -3.081) 12.000 6.142 ( 0.000 4.046 -4.250) 5.868 6.206 ( 0.000 5.916 1.809) 6.187 6.467 ( 0.000 3.706 -3.131) 4.852 6.817 ( 0.000 -1.295 0.159) 1.305 6.832 ( 0.000 -3.345 1.628) 3.720 7.080 ( 0.000 -4.456 5.032) 6.721 7.099 ( 0.000 -0.433 1.830) 1.881 7.172 ( 0.000 -5.169 1.737) 5.453 7.220 ( 0.000 -35.013 34.525) 49.172 7.334 ( 0.000 -4.747 4.703) 6.682 7.467 ( 0.000 -3.480 -3.208) 4.733 8.345 ( 0.000 2.139 3.633) 4.216 8.710 ( 0.000 -2.055 -0.260) 2.071 8.949 ( 0.000 2.950 4.122) 5.069 9.361 ( 0.000 -1.465 -3.823) 4.094 9.917 ( 0.000 6.436 -0.219) 6.439 10.253 ( 0.000 15.597 -16.287) 22.551 10.401 ( 0.000 2.572 0.681) 2.660 10.484 ( 0.000 1.625 -0.657) 1.753 12.209 ( 0.000 0.550 1.622) 1.712 12.428 ( 0.000 -0.771 -1.477) 1.666 12.801 ( 0.000 -0.285 0.949) 0.991 12.844 ( 0.000 -0.128 -0.365) 0.387 14.731 ( 0.000 0.139 2.217) 2.221 15.119 ( 0.000 -2.496 -5.514) 6.053 15.315 ( 0.000 -4.236 4.737) 6.354 15.578 ( 0.000 -9.647 2.157) 9.885 19.499 ( 0.000 13.405 0.671) 13.421 20.313 ( 0.000 47.461 -49.183) 68.349 20.948 ( 0.000 16.039 -2.462) 16.227 21.014 ( 0.000 13.092 -0.737) 13.113 22.533 ( 0.000 -1.547 3.198) 3.553 23.096 ( 0.000 -3.428 -6.721) 7.545 23.170 ( 0.000 -12.569 19.420) 23.132 24.380 ( 0.000 -9.820 -11.759) 15.320 25.231 ( 0.000 -1.095 8.032) 8.107 25.621 ( 0.000 -3.803 -0.943) 3.918 25.737 ( 0.000 -1.545 8.174) 8.319 26.092 ( 0.000 -24.756 25.442) 35.499 ======================= Grid point 57 (22/64) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 13.391 10.413 -2.342) 17.124 0.936 ( 20.434 4.293 13.823) 25.041 1.236 ( 2.421 47.076 3.481) 47.266 1.480 ( 0.224 28.588 0.482) 28.593 1.684 ( -1.397 -5.241 -6.123) 8.180 1.851 ( 3.852 -5.748 2.584) 7.386 1.913 ( -3.981 0.272 1.094) 4.137 2.004 ( -4.147 9.628 0.650) 10.503 2.079 ( 0.969 6.507 7.229) 9.774 2.219 ( 2.225 11.582 -1.922) 11.949 2.264 ( -3.785 -2.124 -1.643) 4.641 2.432 ( 1.233 -1.465 -10.335) 10.510 2.564 ( 5.944 -3.628 4.381) 8.227 2.902 ( 0.963 12.749 -7.941) 15.051 2.969 ( 1.657 5.217 -3.307) 6.395 3.077 ( -0.060 5.089 -1.469) 5.297 3.120 ( 0.097 12.167 1.791) 12.299 3.336 ( -0.611 -1.454 3.488) 3.827 3.369 ( 6.725 2.083 2.135) 7.357 3.380 ( 3.892 0.271 2.779) 4.790 3.523 ( 8.595 -0.199 9.925) 13.131 3.670 ( -3.150 4.759 6.807) 8.883 3.873 ( 5.263 -5.489 -11.115) 13.467 4.054 ( -5.090 -1.843 -7.533) 9.276 4.176 ( -4.756 -4.418 -3.405) 7.330 4.229 ( 1.454 -4.394 0.475) 4.653 4.371 ( -0.377 2.852 -2.850) 4.049 4.494 ( -1.527 4.677 -0.928) 5.007 4.991 ( -1.070 11.567 -3.532) 12.142 5.101 ( -1.827 -14.323 -2.188) 14.604 5.485 ( 0.537 -11.260 2.035) 11.455 5.639 ( -0.915 -14.992 -0.536) 15.030 5.780 ( -0.310 11.449 -1.603) 11.564 6.091 ( -2.810 3.985 -2.414) 5.441 6.271 ( 3.699 4.261 -1.630) 5.873 6.474 ( 0.635 3.330 -2.607) 4.277 6.784 ( -1.658 -1.634 1.387) 2.710 6.846 ( -0.236 -3.234 2.703) 4.222 6.988 ( -7.905 -9.244 16.113) 20.188 7.087 ( -0.417 -0.192 0.649) 0.794 7.106 ( -0.761 -2.763 2.512) 3.811 7.169 ( -3.372 -5.703 7.020) 9.653 7.491 ( 2.187 -4.535 -3.606) 6.193 7.497 ( 7.001 -19.827 6.025) 21.873 8.378 ( 3.219 2.323 3.574) 5.342 8.741 ( 3.114 -1.618 -1.095) 3.676 8.926 ( -2.328 3.020 4.043) 5.558 9.326 ( -3.189 -1.034 -3.373) 4.756 9.912 ( -0.468 6.568 -0.107) 6.585 10.072 ( -10.102 15.569 -5.186) 19.270 10.439 ( 1.307 4.409 -1.258) 4.768 10.482 ( -0.162 2.098 -0.338) 2.131 12.259 ( 4.755 0.682 1.684) 5.090 12.657 ( 12.666 -6.971 -8.516) 16.779 12.805 ( 1.124 -2.062 0.207) 2.357 12.846 ( 0.373 -0.394 -0.491) 0.732 14.743 ( 1.290 0.341 2.101) 2.489 15.149 ( -1.379 -1.699 -2.739) 3.506 15.390 ( 8.761 -10.156 -3.707) 13.915 15.629 ( 4.422 -12.851 0.322) 13.595 19.507 ( 0.854 13.995 0.553) 14.032 20.164 ( -13.170 47.984 -35.987) 61.408 20.927 ( -0.919 11.062 0.888) 11.136 21.028 ( 0.501 15.698 -2.972) 15.985 22.465 ( -15.244 2.089 14.189) 20.930 22.502 ( -18.115 -0.147 20.159) 27.103 23.507 ( 11.633 -9.113 -3.836) 15.267 24.338 ( -4.274 -9.466 -10.849) 15.019 25.263 ( 2.560 -1.745 7.161) 7.803 25.624 ( 0.271 -3.752 -0.705) 3.827 25.703 ( -3.241 -1.431 7.640) 8.421 25.888 ( -12.486 -9.885 21.724) 26.936 ======================= Grid point 58 (23/64) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 19.950 4.189 -8.512) 22.091 1.251 ( 8.042 23.420 8.455) 26.166 1.335 ( 7.823 21.204 0.717) 22.612 1.475 ( -0.589 30.654 0.905) 30.673 1.661 ( -0.719 -2.793 -3.978) 4.913 1.802 ( -4.235 -0.367 -0.745) 4.315 1.943 ( -0.619 6.229 0.780) 6.308 1.978 ( 5.186 -3.395 0.797) 6.249 2.085 ( -1.646 9.331 5.715) 11.065 2.179 ( -1.644 -1.307 -2.591) 3.336 2.285 ( 1.941 10.957 -0.353) 11.133 2.408 ( -2.924 0.281 -5.869) 6.563 2.712 ( 8.435 -0.554 4.421) 9.540 2.931 ( 1.712 6.679 -2.901) 7.480 3.020 ( 2.712 7.685 -2.070) 8.408 3.069 ( 0.306 7.639 0.657) 7.673 3.109 ( -1.401 8.935 2.615) 9.414 3.364 ( 3.197 -0.496 -1.524) 3.576 3.422 ( -0.714 -2.635 3.171) 4.185 3.536 ( 7.433 0.657 -3.811) 8.379 3.586 ( -1.418 4.366 4.885) 6.703 3.713 ( 6.262 1.487 9.412) 11.403 3.950 ( 0.087 -1.030 -5.989) 6.077 4.020 ( 3.561 -8.063 -8.348) 12.140 4.081 ( -3.864 -5.350 -4.234) 7.841 4.234 ( -1.994 -4.502 4.619) 6.752 4.317 ( -1.498 3.373 -3.788) 5.288 4.502 ( 1.208 4.264 -2.419) 5.049 4.964 ( -1.650 10.348 -1.213) 10.549 5.041 ( -3.974 -11.399 -2.670) 12.364 5.503 ( 1.397 -11.926 1.337) 12.081 5.614 ( -1.528 -14.134 -0.271) 14.218 5.779 ( 0.752 11.130 1.775) 11.296 6.027 ( -3.975 4.528 -0.773) 6.074 6.338 ( 3.162 2.367 -2.891) 4.895 6.484 ( 0.044 2.285 -1.286) 2.622 6.760 ( -0.932 -1.609 5.442) 5.751 6.826 ( -0.605 -2.942 3.646) 4.723 6.866 ( -4.526 -2.150 7.701) 9.187 7.050 ( -4.411 -4.672 2.826) 7.019 7.098 ( 0.404 -0.949 -0.024) 1.032 7.125 ( -0.298 -0.241 1.843) 1.882 7.534 ( 2.024 -6.005 -4.924) 8.025 7.580 ( 1.692 -15.186 -0.603) 15.292 8.469 ( 5.586 2.750 3.443) 7.116 8.815 ( 0.853 0.439 -0.558) 1.110 8.873 ( 0.332 1.439 2.157) 2.614 9.242 ( -5.061 -1.123 -2.985) 5.983 9.899 ( -0.808 7.342 0.051) 7.387 9.938 ( -3.640 11.333 -0.339) 11.908 10.455 ( 0.562 4.253 -0.755) 4.356 10.478 ( -0.212 2.399 -0.269) 2.423 12.385 ( 7.265 0.683 1.825) 7.522 12.730 ( -1.896 -0.071 -0.846) 2.077 12.852 ( 1.189 -1.338 -1.860) 2.582 12.891 ( 3.212 -6.952 -5.494) 9.425 14.786 ( 2.930 0.526 2.073) 3.628 15.069 ( -5.239 -0.015 0.967) 5.328 15.568 ( 7.320 -11.443 -7.752) 15.640 15.718 ( 3.302 -17.581 -4.669) 18.488 19.534 ( 1.866 15.974 0.125) 16.083 19.885 ( -12.494 39.096 -14.229) 43.440 20.929 ( 1.020 9.556 0.662) 9.633 21.023 ( -0.901 15.752 -2.791) 16.023 22.128 ( -7.928 5.783 25.728) 27.536 22.351 ( -7.643 -0.601 5.886) 9.665 23.700 ( 8.607 -7.469 -5.037) 12.460 24.215 ( -7.542 -8.517 -8.958) 14.480 25.318 ( 2.889 -1.750 6.912) 7.693 25.609 ( -5.139 -1.570 6.195) 8.201 25.636 ( 0.282 -3.070 0.943) 3.224 25.728 ( -3.911 -3.363 9.598) 10.897 ======================= Grid point 59 (24/64) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 14.485 6.109 -6.716) 17.095 1.315 ( -3.864 17.078 -0.981) 17.537 1.413 ( 3.999 30.827 -2.189) 31.162 1.488 ( -0.607 22.281 -0.443) 22.294 1.661 ( 0.925 -2.419 -2.181) 3.386 1.712 ( -4.258 -0.836 -0.315) 4.350 1.958 ( 1.865 6.788 2.284) 7.401 2.011 ( -3.138 5.259 2.571) 6.642 2.104 ( 4.906 -1.664 -1.205) 5.318 2.165 ( -1.026 0.440 -2.281) 2.540 2.312 ( 1.129 10.272 0.658) 10.355 2.348 ( -2.531 6.070 -0.552) 6.599 2.881 ( 7.647 0.107 2.452) 8.031 2.961 ( 0.610 1.628 -0.077) 1.741 3.021 ( -1.148 7.342 1.885) 7.666 3.046 ( -3.476 8.904 4.231) 10.453 3.167 ( 7.029 6.604 2.357) 9.929 3.321 ( -7.455 2.320 4.405) 8.965 3.452 ( 5.134 1.284 -5.941) 7.956 3.553 ( -3.810 2.273 -5.672) 7.201 3.666 ( 5.675 -1.021 -2.888) 6.449 3.754 ( -2.008 -1.858 1.378) 3.063 3.992 ( 2.430 -3.076 -0.827) 4.006 4.035 ( 1.436 0.192 3.344) 3.644 4.070 ( 0.382 -9.470 -1.796) 9.647 4.152 ( -4.723 0.111 5.724) 7.422 4.388 ( 6.577 -0.923 -7.619) 10.108 4.495 ( -2.786 1.643 -5.411) 6.305 4.934 ( -0.678 5.141 -1.164) 5.314 4.960 ( -3.268 -3.792 -2.093) 5.426 5.539 ( 2.012 -12.777 0.745) 12.956 5.579 ( -1.884 -13.423 0.168) 13.555 5.826 ( 4.042 9.498 3.327) 10.845 5.928 ( -5.479 6.728 1.841) 8.871 6.404 ( 3.315 1.246 -2.127) 4.131 6.463 ( -2.235 1.280 -0.971) 2.753 6.749 ( 0.447 -1.109 8.323) 8.408 6.786 ( -3.044 -1.027 6.854) 7.570 6.860 ( 3.370 -2.521 0.760) 4.277 6.949 ( -5.076 -3.583 2.236) 6.603 7.113 ( 0.848 -0.421 -0.913) 1.315 7.124 ( -0.185 -0.283 -0.203) 0.394 7.569 ( 1.401 -7.941 -5.311) 9.655 7.589 ( -0.498 -10.675 -4.178) 11.475 8.595 ( 6.603 3.155 3.320) 8.036 8.726 ( -6.195 3.292 3.133) 7.683 8.983 ( 7.030 -1.374 -2.361) 7.542 9.124 ( -6.588 -1.382 -2.856) 7.312 9.887 ( -0.112 8.145 0.452) 8.159 9.897 ( -1.036 8.278 0.725) 8.374 10.465 ( 0.436 3.531 -0.523) 3.596 10.473 ( -0.330 2.816 -0.376) 2.860 12.534 ( 7.068 0.582 1.493) 7.248 12.658 ( -5.044 0.404 0.722) 5.112 12.881 ( 1.666 -2.070 -2.433) 3.603 12.910 ( -0.818 -4.187 -4.050) 5.882 14.860 ( 4.397 0.673 2.087) 4.914 14.960 ( -5.371 0.581 1.845) 5.709 15.683 ( 4.309 -12.420 -6.695) 14.752 15.740 ( -1.097 -15.787 -6.592) 17.143 19.587 ( 3.568 20.064 -1.003) 20.403 19.690 ( -6.993 27.588 -4.281) 28.781 20.960 ( 1.805 11.462 -0.597) 11.619 20.996 ( -1.698 13.964 -1.718) 14.172 22.090 ( 2.709 3.705 15.592) 16.254 22.196 ( -7.092 1.227 9.311) 11.768 23.873 ( 8.655 -7.219 -5.928) 12.734 24.049 ( -8.677 -7.672 -7.264) 13.672 25.389 ( 4.352 -1.191 6.487) 7.902 25.493 ( -5.753 -1.067 6.292) 8.592 25.655 ( 1.238 -3.160 1.165) 3.589 25.682 ( -1.463 -3.110 3.231) 4.717 ======================= Grid point 63 (25/64) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 14.902 -3.192) 15.240 0.856 ( 0.000 12.221 1.656) 12.333 1.556 ( 0.000 -4.922 -8.939) 10.205 1.656 ( 0.000 -2.551 7.049) 7.496 1.823 ( 0.000 0.234 2.792) 2.801 1.991 ( 0.000 7.210 0.350) 7.219 2.063 ( 0.000 10.210 1.195) 10.280 2.137 ( 0.000 1.495 8.118) 8.254 2.270 ( 0.000 -3.114 -9.766) 10.251 2.327 ( 0.000 10.698 0.710) 10.722 2.429 ( 0.000 19.004 7.678) 20.496 2.437 ( 0.000 3.954 -6.254) 7.399 2.690 ( 0.000 24.323 -0.699) 24.333 2.970 ( 0.000 4.468 -6.603) 7.972 3.068 ( 0.000 3.437 -7.125) 7.910 3.208 ( 0.000 1.291 2.407) 2.731 3.292 ( 0.000 0.968 3.119) 3.266 3.318 ( 0.000 1.479 3.640) 3.929 3.334 ( 0.000 -2.219 2.197) 3.122 3.444 ( 0.000 16.614 0.708) 16.629 3.637 ( 0.000 15.782 3.283) 16.120 3.721 ( 0.000 -2.129 -3.828) 4.380 3.818 ( 0.000 5.275 -0.584) 5.307 4.018 ( 0.000 -2.486 -0.683) 2.578 4.177 ( 0.000 -1.889 0.913) 2.099 4.204 ( 0.000 -1.135 1.274) 1.706 4.449 ( 0.000 4.576 -8.315) 9.491 4.604 ( 0.000 4.179 -5.654) 7.031 4.810 ( 0.000 -13.057 6.972) 14.802 5.125 ( 0.000 -0.851 -5.959) 6.019 5.148 ( 0.000 -19.056 2.324) 19.197 5.260 ( 0.000 -19.640 0.052) 19.640 6.033 ( 0.000 11.475 -5.030) 12.529 6.261 ( 0.000 6.617 -5.247) 8.445 6.330 ( 0.000 5.445 0.756) 5.498 6.480 ( 0.000 -3.205 0.358) 3.224 6.707 ( 0.000 -5.379 5.974) 8.039 6.768 ( 0.000 -3.360 -0.332) 3.376 6.821 ( 0.000 -4.417 12.969) 13.701 6.994 ( 0.000 -8.184 3.892) 9.063 7.110 ( 0.000 0.358 2.418) 2.444 7.133 ( 0.000 1.204 0.110) 1.209 7.237 ( 0.000 -4.083 2.142) 4.611 7.379 ( 0.000 -4.849 -3.324) 5.879 8.398 ( 0.000 2.770 3.762) 4.672 8.642 ( 0.000 -4.169 0.742) 4.234 9.028 ( 0.000 4.357 2.615) 5.082 9.305 ( 0.000 -3.576 -2.547) 4.390 10.086 ( 0.000 8.991 0.707) 9.018 10.414 ( 0.000 2.588 -5.989) 6.525 10.465 ( 0.000 3.180 0.290) 3.193 10.514 ( 0.000 1.010 -0.800) 1.288 12.236 ( 0.000 1.949 0.332) 1.977 12.401 ( 0.000 -1.896 -1.577) 2.466 12.804 ( 0.000 0.450 0.658) 0.797 12.839 ( 0.000 -0.331 -0.188) 0.381 14.743 ( 0.000 1.100 1.248) 1.664 15.023 ( 0.000 -6.471 -3.813) 7.511 15.239 ( 0.000 -2.141 2.997) 3.683 15.404 ( 0.000 -7.168 0.418) 7.180 19.869 ( 0.000 20.592 2.067) 20.696 20.759 ( 0.000 2.716 -13.997) 14.258 21.372 ( 0.000 19.634 -1.336) 19.679 21.523 ( 0.000 31.749 -27.292) 41.867 22.503 ( 0.000 -0.853 2.329) 2.481 22.990 ( 0.000 -6.627 -8.573) 10.836 23.002 ( 0.000 -2.166 19.250) 19.372 24.069 ( 0.000 -19.729 -7.332) 21.048 25.218 ( 0.000 0.338 5.187) 5.198 25.511 ( 0.000 -6.445 -0.653) 6.478 25.700 ( 0.000 -1.676 8.595) 8.757 25.785 ( 0.000 -7.529 19.016) 20.452 ======================= Grid point 64 (26/64) ======================= q-point: ( 0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 8.041 16.432 -7.574) 19.800 1.056 ( 15.046 6.460 2.822) 16.615 1.584 ( 2.419 -2.186 -5.776) 6.632 1.686 ( 2.829 -3.060 4.850) 6.395 1.819 ( -0.863 -0.602 -0.097) 1.057 1.934 ( -3.833 5.116 1.106) 6.488 2.065 ( -0.149 10.868 0.710) 10.892 2.122 ( -0.829 0.766 5.155) 5.277 2.298 ( -0.423 7.088 0.407) 7.113 2.323 ( 2.411 7.008 -3.692) 8.280 2.388 ( -0.229 12.489 -2.483) 12.736 2.559 ( 6.976 11.186 1.749) 13.299 2.696 ( 0.774 20.385 0.209) 20.401 2.967 ( -0.221 4.547 -6.645) 8.055 3.095 ( 3.285 4.163 -6.501) 8.390 3.259 ( 4.345 0.898 0.913) 4.530 3.283 ( -1.323 5.005 2.251) 5.645 3.351 ( 1.952 0.031 2.668) 3.306 3.394 ( 5.577 5.070 1.117) 7.619 3.463 ( 0.856 10.683 4.098) 11.474 3.644 ( 2.733 6.592 1.368) 7.266 3.730 ( -0.237 1.164 -2.648) 2.902 3.826 ( 1.224 5.149 0.193) 5.296 3.980 ( -3.237 -2.113 -1.326) 4.087 4.129 ( -5.726 -0.757 0.540) 5.801 4.177 ( -0.215 -1.442 0.604) 1.578 4.478 ( 1.430 3.635 -6.029) 7.184 4.564 ( -3.504 3.575 -5.162) 7.190 4.810 ( 0.193 -11.769 6.344) 13.371 5.120 ( 0.157 -3.442 -3.139) 4.661 5.161 ( 0.109 -14.990 0.150) 14.991 5.254 ( -0.480 -20.111 -0.105) 20.117 6.031 ( -0.252 11.539 -3.660) 12.108 6.215 ( -2.596 7.271 -2.616) 8.151 6.360 ( 1.288 3.590 -0.512) 3.849 6.495 ( 1.153 -1.703 -1.654) 2.639 6.722 ( 0.988 -4.462 2.913) 5.420 6.742 ( -1.500 -3.400 5.113) 6.321 6.838 ( 0.342 -4.038 8.032) 8.996 6.977 ( -1.758 -7.803 3.807) 8.858 7.098 ( -0.745 0.751 0.785) 1.318 7.131 ( -0.283 0.697 0.731) 1.049 7.259 ( 2.247 -6.355 1.820) 6.981 7.385 ( 0.516 -5.473 -3.663) 6.606 8.435 ( 3.653 3.000 3.543) 5.907 8.679 ( 3.634 -3.939 0.247) 5.365 9.004 ( -2.371 4.270 2.594) 5.530 9.275 ( -2.857 -3.428 -2.439) 5.086 10.084 ( -0.155 9.160 0.653) 9.184 10.300 ( -7.292 7.905 -2.818) 11.118 10.474 ( 0.465 -0.457 -0.147) 0.668 10.550 ( 1.296 2.315 -1.720) 3.161 12.285 ( 4.711 1.899 0.667) 5.123 12.519 ( 9.451 -5.528 -3.315) 11.440 12.795 ( -0.944 0.312 0.695) 1.213 12.837 ( -0.188 -0.563 -0.318) 0.673 14.758 ( 1.547 1.265 1.296) 2.382 15.070 ( 3.492 -6.900 -4.748) 9.075 15.216 ( -1.276 -3.803 3.306) 5.198 15.420 ( 1.206 -8.266 -0.137) 8.355 19.891 ( 2.261 21.252 1.788) 21.447 20.754 ( -1.512 7.883 -17.338) 19.106 21.238 ( -11.193 18.676 -3.095) 21.992 21.501 ( -2.716 25.630 -16.748) 30.737 22.460 ( -4.157 0.297 4.621) 6.222 22.626 ( -16.078 10.888 14.178) 24.043 23.286 ( 11.302 -11.427 -1.962) 16.191 24.037 ( -3.277 -19.242 -6.823) 20.677 25.239 ( 1.863 -0.093 5.020) 5.356 25.515 ( 0.494 -6.339 -0.479) 6.376 25.669 ( -3.027 -1.553 8.057) 8.745 25.732 ( -4.226 -4.961 15.410) 16.732 ======================= Grid point 65 (27/64) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 15.418 12.506 -9.996) 22.227 1.337 ( 10.794 2.967 0.370) 11.200 1.633 ( 1.964 2.289 -0.528) 3.062 1.741 ( 0.587 -1.915 -0.804) 2.159 1.800 ( 0.956 1.964 -1.226) 2.505 1.893 ( -0.039 -0.191 -1.792) 1.802 2.036 ( -2.633 10.176 1.909) 10.683 2.089 ( -2.446 -3.348 0.741) 4.213 2.310 ( 1.598 12.250 1.070) 12.401 2.380 ( 0.958 10.396 -6.619) 12.362 2.410 ( 4.118 15.599 3.841) 16.585 2.640 ( -0.342 16.925 -2.156) 17.065 2.775 ( 7.974 8.981 5.892) 13.377 2.974 ( 1.152 6.545 -4.602) 8.083 3.187 ( 3.939 6.592 -3.930) 8.626 3.247 ( -0.748 6.825 0.759) 6.908 3.351 ( 2.303 4.805 0.047) 5.329 3.387 ( 1.117 0.256 1.850) 2.176 3.411 ( -1.490 11.167 1.157) 11.326 3.533 ( 5.456 0.159 0.901) 5.532 3.694 ( -1.117 4.616 0.132) 4.751 3.756 ( 2.405 -4.397 -0.645) 5.053 3.854 ( 0.962 1.505 0.835) 1.971 3.953 ( 3.634 -0.093 -0.742) 3.710 4.016 ( -4.807 -0.481 -1.266) 4.994 4.177 ( 0.450 -0.122 2.117) 2.168 4.449 ( -3.931 8.123 -4.002) 9.871 4.504 ( -2.717 -5.134 -3.483) 6.773 4.830 ( 2.088 -6.930 3.372) 7.985 5.099 ( -3.390 1.356 -2.016) 4.171 5.164 ( 1.166 -19.065 0.012) 19.100 5.243 ( -0.738 -19.882 -0.328) 19.898 6.029 ( 0.404 11.717 -0.376) 11.730 6.170 ( -2.230 8.539 -0.557) 8.843 6.381 ( 1.188 1.203 -1.258) 2.108 6.506 ( -0.404 -0.428 -1.657) 1.759 6.713 ( -0.665 -2.542 4.678) 5.365 6.749 ( 1.231 -3.494 2.919) 4.716 6.816 ( -2.338 -2.667 5.442) 6.496 6.925 ( -3.256 -6.557 3.320) 8.038 7.093 ( 0.400 0.401 -0.805) 0.984 7.126 ( -0.177 0.583 -0.039) 0.611 7.317 ( 3.022 -9.267 -0.364) 9.754 7.394 ( 0.268 -6.765 -4.125) 7.928 8.537 ( 6.151 3.523 3.044) 7.714 8.780 ( 5.956 -3.268 -0.859) 6.848 8.934 ( -4.403 3.927 2.670) 6.475 9.194 ( -5.120 -3.275 -2.190) 6.460 10.081 ( -0.075 9.653 0.555) 9.669 10.176 ( -4.705 10.669 -0.838) 11.690 10.487 ( 0.815 -0.495 -0.229) 0.980 10.554 ( -0.680 2.143 -1.213) 2.555 12.410 ( 7.152 1.808 0.960) 7.439 12.689 ( 5.560 -5.758 -4.057) 8.974 12.767 ( -1.314 -1.248 0.587) 1.905 12.833 ( -0.199 -1.425 -0.754) 1.624 14.806 ( 3.218 1.609 1.428) 3.871 15.073 ( -3.405 0.219 -0.855) 3.517 15.261 ( 5.320 -13.788 -1.430) 14.848 15.438 ( 0.323 -10.711 -1.292) 10.793 19.963 ( 4.927 23.238 0.811) 23.768 20.613 ( -13.330 26.514 -17.976) 34.696 21.080 ( -1.342 3.852 3.936) 5.668 21.411 ( -5.912 16.557 -8.283) 19.435 22.348 ( -5.239 11.606 13.069) 18.247 22.418 ( -5.906 13.582 6.536) 16.188 23.480 ( 8.566 -13.333 -4.149) 16.382 23.940 ( -6.107 -17.843 -5.905) 19.762 25.289 ( 3.177 -0.444 4.987) 5.929 25.531 ( 0.944 -5.733 0.193) 5.814 25.585 ( -4.894 -1.363 6.884) 8.555 25.654 ( -3.147 -3.301 8.505) 9.651 ======================= Grid point 66 (28/64) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 13.799 9.066 -9.025) 18.816 1.432 ( -2.491 5.888 -5.142) 8.205 1.659 ( 1.046 2.016 -3.282) 3.991 1.696 ( -2.897 2.305 -0.273) 3.712 1.859 ( 3.296 1.230 -0.027) 3.518 1.910 ( -0.671 3.113 -3.049) 4.409 1.994 ( 0.467 -2.088 -0.070) 2.140 2.039 ( -2.592 -2.135 -0.323) 3.373 2.345 ( 2.091 15.639 0.416) 15.784 2.382 ( -0.950 16.903 -1.901) 17.036 2.510 ( 4.996 13.338 0.934) 14.274 2.596 ( -3.398 14.361 -1.780) 14.865 2.947 ( 7.508 9.400 6.127) 13.500 3.006 ( 1.173 9.154 0.116) 9.230 3.179 ( -0.928 7.242 2.266) 7.644 3.242 ( -6.018 6.914 3.870) 9.950 3.327 ( 3.309 6.770 -0.946) 7.595 3.381 ( -1.426 3.437 -0.145) 3.724 3.510 ( 6.517 3.895 -5.119) 9.157 3.596 ( -0.264 1.310 -4.469) 4.665 3.670 ( -0.371 0.305 -0.005) 0.481 3.710 ( -3.809 -0.748 1.087) 4.031 3.889 ( 1.813 -2.304 -0.804) 3.040 3.935 ( -2.922 -2.340 -1.946) 4.219 4.110 ( 8.269 0.446 4.677) 9.511 4.195 ( 0.204 2.242 5.041) 5.521 4.382 ( -1.624 4.455 -4.002) 6.205 4.423 ( -4.626 -5.791 -3.970) 8.408 4.897 ( 4.449 -2.821 -0.252) 5.274 5.002 ( -5.569 -0.806 -1.448) 5.810 5.194 ( 1.552 -18.504 -0.390) 18.574 5.223 ( -1.239 -19.167 -0.395) 19.211 6.057 ( 2.385 11.460 2.013) 11.877 6.116 ( -3.080 10.293 1.651) 10.870 6.418 ( 2.583 -0.124 -1.267) 2.880 6.475 ( -2.565 -0.385 -0.870) 2.736 6.715 ( 1.061 -1.846 5.826) 6.203 6.754 ( -2.314 -1.896 5.491) 6.253 6.793 ( 2.191 -3.539 1.126) 4.312 6.854 ( -3.509 -4.972 2.076) 6.430 7.109 ( 0.892 0.176 -1.320) 1.603 7.122 ( -0.351 0.280 -0.879) 0.987 7.367 ( 1.844 -9.278 -2.935) 9.904 7.392 ( -0.593 -8.115 -4.071) 9.099 8.672 ( 6.991 4.030 2.512) 8.451 8.806 ( -5.763 4.096 1.703) 7.272 8.933 ( 6.622 -3.235 -0.686) 7.402 9.073 ( -6.704 -3.307 -1.783) 7.685 10.085 ( 0.553 10.343 0.445) 10.367 10.110 ( -2.054 10.923 0.117) 11.115 10.507 ( 1.166 0.179 -0.425) 1.254 10.532 ( -1.264 1.210 -0.743) 1.901 12.555 ( 6.804 1.529 0.813) 7.020 12.672 ( -4.593 1.015 0.179) 4.707 12.800 ( 2.295 -5.539 -2.520) 6.504 12.827 ( -0.578 -3.162 -1.602) 3.591 14.886 ( 4.535 1.931 1.466) 5.142 14.983 ( -4.952 1.826 1.058) 5.383 15.365 ( 4.296 -15.368 -3.095) 16.255 15.425 ( -1.708 -13.463 -2.485) 13.797 20.097 ( 8.648 26.414 -1.505) 27.834 20.320 ( -13.491 29.679 -7.015) 33.348 21.142 ( 5.758 2.312 -0.291) 6.211 21.276 ( -7.088 8.097 -3.928) 11.456 22.295 ( -0.161 16.624 10.116) 19.461 22.328 ( -3.191 14.832 6.872) 16.655 23.645 ( 7.916 -14.634 -4.778) 17.311 23.801 ( -7.473 -16.163 -5.240) 18.562 25.368 ( 4.590 -0.451 5.185) 6.939 25.471 ( -5.445 -0.711 5.738) 7.942 25.565 ( 1.634 -5.149 1.313) 5.559 25.603 ( -2.121 -4.105 3.755) 5.954 ======================= Grid point 70 (29/64) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 11.115 -14.165) 18.006 1.029 ( 0.000 2.076 -12.987) 13.152 1.540 ( 0.000 4.201 -1.651) 4.513 1.638 ( 0.000 0.271 14.005) 14.008 1.731 ( 0.000 -4.992 -1.351) 5.172 1.844 ( 0.000 -11.873 11.064) 16.229 2.094 ( 0.000 4.709 -3.910) 6.120 2.192 ( 0.000 -4.338 -6.531) 7.841 2.355 ( 0.000 7.818 5.433) 9.521 2.458 ( 0.000 -1.825 -0.883) 2.027 2.556 ( 0.000 10.240 -2.172) 10.468 2.741 ( 0.000 -7.088 -2.149) 7.406 2.915 ( 0.000 18.789 -0.047) 18.789 3.115 ( 0.000 1.914 -2.411) 3.078 3.154 ( 0.000 -2.801 0.526) 2.850 3.201 ( 0.000 -8.146 -2.583) 8.545 3.310 ( 0.000 0.612 2.754) 2.821 3.319 ( 0.000 -0.413 3.479) 3.504 3.504 ( 0.000 24.246 -5.280) 24.815 3.745 ( 0.000 0.734 -4.829) 4.884 3.775 ( 0.000 6.666 1.381) 6.807 3.890 ( 0.000 5.960 3.033) 6.688 3.933 ( 0.000 10.780 -7.901) 13.365 4.117 ( 0.000 10.413 7.691) 12.946 4.118 ( 0.000 -4.452 0.548) 4.486 4.229 ( 0.000 7.703 5.615) 9.532 4.354 ( 0.000 -11.585 1.114) 11.639 4.590 ( 0.000 -14.042 1.509) 14.123 4.692 ( 0.000 -5.251 3.208) 6.153 4.821 ( 0.000 -16.123 -0.165) 16.124 4.861 ( 0.000 6.521 -4.490) 7.917 5.061 ( 0.000 -8.009 -4.564) 9.219 6.240 ( 0.000 8.037 -5.214) 9.580 6.362 ( 0.000 -1.488 -7.284) 7.434 6.404 ( 0.000 0.498 1.655) 1.728 6.415 ( 0.000 2.108 -0.755) 2.239 6.657 ( 0.000 -0.520 0.447) 0.685 6.689 ( 0.000 -3.470 -0.309) 3.484 6.785 ( 0.000 0.520 8.685) 8.701 6.845 ( 0.000 -5.290 5.923) 7.941 7.125 ( 0.000 1.181 1.794) 2.148 7.159 ( 0.000 -1.348 0.965) 1.658 7.191 ( 0.000 2.228 -0.862) 2.389 7.275 ( 0.000 -4.824 -2.777) 5.566 8.463 ( 0.000 3.574 2.987) 4.658 8.548 ( 0.000 -4.484 1.832) 4.844 9.124 ( 0.000 4.652 0.734) 4.709 9.220 ( 0.000 -4.446 -1.039) 4.566 10.268 ( 0.000 7.851 0.734) 7.886 10.396 ( 0.000 -3.956 -0.832) 4.042 10.519 ( 0.000 1.660 -0.384) 1.704 10.530 ( 0.000 0.409 -1.111) 1.184 12.287 ( 0.000 2.882 -0.685) 2.962 12.350 ( 0.000 -2.885 -1.365) 3.191 12.816 ( 0.000 0.662 0.337) 0.743 12.830 ( 0.000 -0.565 0.055) 0.567 14.786 ( 0.000 3.229 0.035) 3.229 14.884 ( 0.000 -6.065 -1.484) 6.244 15.228 ( 0.000 1.005 1.020) 1.432 15.283 ( 0.000 -4.241 0.247) 4.248 20.303 ( 0.000 19.642 2.307) 19.777 20.645 ( 0.000 -11.995 -1.004) 12.037 21.769 ( 0.000 16.615 -4.374) 17.181 21.956 ( 0.000 3.694 -18.565) 18.929 22.576 ( 0.000 10.428 -6.409) 12.240 22.817 ( 0.000 -10.061 -11.573) 15.335 23.125 ( 0.000 14.915 12.477) 19.445 23.582 ( 0.000 -25.338 0.883) 25.353 25.259 ( 0.000 3.722 2.184) 4.315 25.370 ( 0.000 -6.488 0.235) 6.492 25.677 ( 0.000 -0.314 9.978) 9.983 25.694 ( 0.000 -2.138 12.939) 13.115 ======================= Grid point 71 (30/64) ======================= q-point: ( 0.14 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 8.187 12.578 -12.893) 19.785 1.143 ( 10.137 0.129 -10.978) 14.943 1.575 ( 3.523 1.341 -1.176) 3.949 1.656 ( 0.920 -2.688 9.109) 9.542 1.742 ( 2.260 0.184 1.494) 2.716 1.890 ( 3.385 -9.330 9.148) 13.498 2.049 ( -4.090 3.886 -3.994) 6.913 2.141 ( -4.344 -4.171 -4.207) 7.347 2.408 ( 4.104 7.233 2.825) 8.782 2.489 ( 2.730 0.779 -1.823) 3.374 2.564 ( 1.116 7.807 -1.403) 8.010 2.728 ( -1.154 -6.571 -2.542) 7.139 2.953 ( 3.706 16.206 -0.098) 16.625 3.115 ( 1.770 -0.621 -3.375) 3.862 3.217 ( 5.499 -0.221 -0.168) 5.506 3.292 ( 6.616 -3.543 -1.490) 7.651 3.338 ( 2.425 1.268 2.373) 3.622 3.350 ( 2.869 0.168 3.898) 4.843 3.525 ( 1.976 17.770 -5.723) 18.773 3.704 ( -3.880 0.536 -3.769) 5.436 3.742 ( -1.819 9.736 1.753) 10.059 3.863 ( -3.028 8.251 2.347) 9.097 3.953 ( 0.720 5.199 -5.641) 7.705 4.089 ( -2.880 11.750 5.880) 13.451 4.116 ( 0.185 -5.883 1.444) 6.060 4.185 ( -2.882 9.601 4.765) 11.099 4.342 ( -1.225 -11.666 2.340) 11.961 4.574 ( -1.858 -17.393 -1.789) 17.583 4.688 ( 0.406 -0.468 1.739) 1.846 4.821 ( 0.140 -11.903 -0.927) 11.940 4.891 ( 1.991 1.146 -0.983) 2.499 5.065 ( 0.035 -7.536 -3.327) 8.238 6.239 ( -0.135 7.991 -4.109) 8.987 6.339 ( -1.121 1.133 -4.763) 5.023 6.398 ( -0.587 1.552 0.993) 1.934 6.450 ( 1.984 -1.613 -2.323) 3.455 6.668 ( 0.839 -0.983 0.396) 1.352 6.684 ( -0.302 -2.222 0.500) 2.298 6.786 ( -0.082 -0.303 7.656) 7.662 6.837 ( -0.901 -4.917 5.685) 7.570 7.117 ( -0.640 1.270 1.296) 1.924 7.154 ( -0.277 -1.342 0.386) 1.424 7.188 ( -0.252 1.707 -0.770) 1.889 7.272 ( -0.255 -5.069 -2.979) 5.886 8.504 ( 3.982 3.658 2.710) 6.049 8.589 ( 3.960 -4.378 1.499) 6.091 9.098 ( -2.531 4.566 0.739) 5.273 9.192 ( -2.680 -4.362 -0.993) 5.215 10.270 ( 0.234 8.043 0.668) 8.074 10.396 ( -0.125 -2.442 -1.274) 2.758 10.469 ( -2.831 3.580 0.383) 4.580 10.548 ( 0.017 -2.405 -1.088) 2.639 12.340 ( 4.900 3.264 -0.517) 5.910 12.419 ( 6.159 -4.243 -1.622) 7.653 12.807 ( -0.980 0.734 0.270) 1.254 12.823 ( -0.672 -0.759 -0.058) 1.016 14.805 ( 1.925 3.489 0.140) 3.987 14.912 ( 2.754 -6.766 -1.526) 7.462 15.205 ( -2.161 1.694 1.102) 2.958 15.277 ( -0.683 -5.193 0.005) 5.238 20.337 ( 3.368 20.021 2.050) 20.405 20.680 ( 3.532 -11.651 -1.383) 12.253 21.620 ( -13.779 15.803 -5.948) 21.794 21.815 ( -12.238 0.385 -13.194) 18.000 22.611 ( 3.023 14.684 -5.433) 15.946 22.860 ( 2.680 0.949 -7.487) 8.009 23.117 ( 0.023 5.873 8.518) 10.347 23.555 ( -2.660 -25.511 0.561) 25.655 25.273 ( 1.309 3.449 2.257) 4.325 25.378 ( 0.839 -6.283 0.385) 6.351 25.648 ( -2.777 -0.219 9.168) 9.582 25.664 ( -2.714 -1.834 11.206) 11.675 ======================= Grid point 72 (31/64) ======================= q-point: ( 0.29 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 12.428 12.784 -10.678) 20.783 1.379 ( 12.051 -0.799 -8.611) 14.833 1.665 ( 3.576 -2.502 1.342) 4.566 1.686 ( 3.748 -1.092 -1.490) 4.179 1.808 ( 3.147 3.250 2.771) 5.305 1.917 ( -3.484 1.045 0.335) 3.653 1.969 ( -1.548 -5.176 1.226) 5.540 2.031 ( -6.300 -4.639 -3.154) 8.436 2.486 ( 3.399 8.017 -0.989) 8.763 2.554 ( 3.352 4.435 -0.513) 5.583 2.605 ( 2.658 2.471 -0.525) 3.667 2.702 ( -1.147 -5.056 -2.957) 5.969 3.062 ( 6.989 12.266 0.783) 14.138 3.194 ( 5.207 -0.687 -4.544) 6.945 3.334 ( 4.905 5.618 -0.040) 7.458 3.383 ( 2.144 3.540 0.913) 4.238 3.400 ( 2.699 5.039 0.949) 5.795 3.414 ( 2.486 -0.657 2.592) 3.651 3.583 ( 2.866 1.629 -2.879) 4.377 3.626 ( -2.056 1.555 -0.838) 2.711 3.730 ( 0.882 11.547 1.810) 11.721 3.775 ( -4.918 8.327 0.391) 9.679 3.909 ( -4.913 1.443 -0.971) 5.212 4.028 ( -2.640 6.382 3.570) 7.775 4.139 ( 0.668 -3.303 3.484) 4.847 4.147 ( -0.032 10.958 1.248) 11.029 4.317 ( -0.401 -9.032 1.633) 9.187 4.524 ( -2.792 -13.484 -4.841) 14.596 4.719 ( 2.568 -1.867 -0.340) 3.194 4.827 ( 0.492 -10.735 -1.218) 10.815 4.911 ( -0.294 -1.532 1.327) 2.048 5.043 ( -2.533 -6.633 -1.150) 7.193 6.240 ( 0.531 7.952 -1.546) 8.119 6.330 ( 0.058 3.098 -2.888) 4.235 6.382 ( -0.823 1.372 0.686) 1.740 6.470 ( -0.263 -3.196 -1.546) 3.560 6.675 ( 0.234 -0.554 1.671) 1.776 6.695 ( 1.113 -1.908 0.576) 2.283 6.770 ( -1.614 -0.748 5.867) 6.130 6.807 ( -2.022 -4.085 4.751) 6.583 7.112 ( 0.377 1.599 0.051) 1.644 7.156 ( 0.302 0.537 -1.805) 1.908 7.187 ( 0.475 -1.746 -0.299) 1.834 7.264 ( -0.633 -5.522 -3.199) 6.413 8.614 ( 6.611 3.878 2.077) 7.942 8.699 ( 6.632 -4.153 0.741) 7.860 9.023 ( -4.884 4.385 0.814) 6.614 9.114 ( -5.042 -4.227 -0.832) 6.631 10.278 ( 0.627 8.598 0.530) 8.637 10.375 ( -2.120 6.795 -1.304) 7.236 10.437 ( 0.049 -3.039 0.920) 3.176 10.530 ( -1.589 -4.319 -0.872) 4.684 12.465 ( 7.009 3.586 -0.298) 7.879 12.561 ( 7.085 -5.510 -1.820) 9.158 12.774 ( -2.327 1.055 0.118) 2.558 12.802 ( -1.462 -1.481 -0.392) 2.118 14.863 ( 3.742 4.101 0.378) 5.564 14.988 ( 4.525 -7.783 -1.665) 9.156 15.146 ( -3.609 2.499 1.263) 4.568 15.249 ( -2.183 -7.103 -0.452) 7.445 20.441 ( 6.975 21.055 1.191) 22.212 20.784 ( 6.583 -9.533 -2.840) 11.928 21.280 ( -18.031 15.747 -3.994) 24.270 21.530 ( -14.943 -5.406 -7.027) 17.376 22.679 ( 3.449 20.795 -2.512) 21.228 22.870 ( -1.782 22.224 1.331) 22.335 23.159 ( 4.095 -14.529 -0.565) 15.106 23.479 ( -4.692 -25.356 -0.409) 25.789 25.313 ( 2.762 2.864 2.628) 4.769 25.406 ( 1.948 -5.667 0.900) 6.060 25.572 ( -4.497 0.270 7.224) 8.513 25.597 ( -3.674 -2.040 7.564) 8.653 ======================= Grid point 73 (32/64) ======================= q-point: ( 0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 11.464 11.104 -8.513) 18.088 1.584 ( 5.894 6.055 -6.334) 10.560 1.691 ( 0.061 0.189 -6.005) 6.008 1.785 ( -4.131 -0.313 -3.448) 5.390 1.791 ( 2.915 2.559 0.375) 3.896 1.876 ( 2.470 -5.221 -1.847) 6.064 1.888 ( -5.870 -4.297 -2.048) 7.557 1.945 ( -3.088 -6.315 0.602) 7.055 2.553 ( 3.119 7.326 -0.853) 8.008 2.592 ( -0.186 6.305 0.357) 6.318 2.657 ( 2.203 -0.800 -1.380) 2.720 2.686 ( -0.735 -2.625 -2.192) 3.498 3.219 ( 7.874 7.922 0.785) 11.197 3.284 ( 3.514 3.126 -2.501) 5.327 3.347 ( -4.289 3.866 -0.873) 5.840 3.361 ( -3.667 4.281 -0.088) 5.638 3.444 ( 5.351 7.940 0.773) 9.606 3.527 ( 6.438 0.126 4.294) 7.739 3.558 ( -4.603 13.467 5.190) 15.149 3.621 ( -0.965 -0.813 -1.386) 1.875 3.697 ( -1.230 2.656 -0.918) 3.068 3.756 ( -3.366 9.423 -0.576) 10.023 3.858 ( 4.094 -4.630 2.101) 6.528 3.961 ( -4.366 -1.970 3.561) 5.969 4.135 ( 0.466 7.912 0.272) 7.931 4.153 ( -0.866 3.415 1.045) 3.675 4.365 ( 4.784 -5.966 -1.605) 7.814 4.460 ( -3.880 -8.620 -3.626) 10.124 4.785 ( 3.591 -3.784 -0.849) 5.286 4.836 ( -0.544 -5.063 -0.342) 5.103 4.896 ( 0.498 -7.561 -0.077) 7.577 4.964 ( -4.757 -6.917 -0.650) 8.420 6.269 ( 2.221 8.083 0.666) 8.409 6.316 ( -1.947 7.882 0.485) 8.134 6.388 ( 1.874 -2.983 -0.307) 3.536 6.439 ( -2.529 -3.379 -0.328) 4.233 6.691 ( 1.372 -0.012 2.807) 3.124 6.720 ( 1.112 -2.049 1.604) 2.830 6.729 ( -1.711 -0.906 3.886) 4.342 6.761 ( -2.261 -3.388 2.962) 5.036 7.130 ( 1.200 2.222 -1.209) 2.800 7.151 ( -0.739 2.782 -2.094) 3.559 7.213 ( 1.741 -5.516 -1.734) 6.038 7.245 ( -1.283 -5.813 -2.929) 6.634 8.759 ( 7.398 4.176 1.409) 8.611 8.843 ( 7.015 -3.417 -0.120) 7.804 8.906 ( -6.183 3.611 1.146) 7.252 8.993 ( -6.784 -4.189 -0.481) 7.987 10.297 ( 1.258 9.340 0.326) 9.430 10.330 ( -2.036 9.629 -0.150) 9.844 10.455 ( 1.516 -5.196 0.023) 5.412 10.492 ( -2.001 -5.131 -0.485) 5.529 12.602 ( 6.181 3.097 -0.204) 6.917 12.681 ( 4.002 -3.545 -1.568) 5.571 12.711 ( -3.313 0.794 0.003) 3.407 12.761 ( -2.723 -2.972 -0.898) 4.130 14.951 ( 4.820 4.660 0.541) 6.726 15.043 ( -3.111 3.494 -0.336) 4.691 15.104 ( 3.316 -8.622 -0.027) 9.238 15.188 ( -3.859 -8.922 -0.791) 9.753 20.621 ( 10.950 22.370 -0.715) 24.917 20.857 ( -8.108 18.011 -6.116) 20.677 21.033 ( 2.838 -8.842 1.480) 9.403 21.240 ( -13.330 -10.484 -3.383) 17.293 22.747 ( 3.330 25.191 0.573) 25.417 22.814 ( -3.286 27.171 2.719) 27.504 23.260 ( 5.537 -21.823 -2.732) 22.680 23.374 ( -5.571 -24.239 -1.774) 24.935 25.383 ( 4.122 2.122 3.519) 5.821 25.455 ( 2.583 -4.167 2.219) 5.381 25.477 ( -4.480 0.708 4.957) 6.719 25.523 ( -3.571 -3.238 4.300) 6.460 ======================= Grid point 98 (33/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.000 0.000 20.587) 20.587 0.673 ( 0.000 0.000 13.786) 13.786 0.934 ( 0.000 0.000 18.867) 18.867 1.018 ( 0.000 0.000 -4.142) 4.142 1.550 ( 0.000 0.000 -12.703) 12.703 1.928 ( 0.000 0.000 -0.097) 0.097 1.948 ( 0.000 0.000 -15.679) 15.679 1.978 ( 0.000 0.000 -3.163) 3.163 2.054 ( 0.000 0.000 -0.752) 0.752 2.089 ( 0.000 0.000 2.371) 2.371 2.211 ( 0.000 0.000 8.401) 8.401 2.333 ( 0.000 0.000 -1.548) 1.548 2.685 ( 0.000 0.000 11.386) 11.386 2.718 ( 0.000 0.000 4.760) 4.760 2.912 ( 0.000 0.000 3.944) 3.944 2.914 ( 0.000 0.000 -5.754) 5.754 2.999 ( 0.000 0.000 1.080) 1.080 3.361 ( 0.000 0.000 10.570) 10.570 3.462 ( 0.000 0.000 5.303) 5.303 3.483 ( 0.000 0.000 -22.229) 22.229 3.521 ( 0.000 0.000 7.196) 7.196 3.645 ( 0.000 0.000 9.665) 9.665 3.898 ( 0.000 0.000 15.433) 15.433 3.958 ( 0.000 0.000 -11.436) 11.436 4.124 ( 0.000 0.000 -7.697) 7.697 4.196 ( 0.000 0.000 -4.223) 4.223 4.375 ( 0.000 0.000 -4.112) 4.112 4.378 ( 0.000 0.000 -7.083) 7.083 4.827 ( 0.000 0.000 3.043) 3.043 5.106 ( 0.000 0.000 -12.529) 12.529 5.626 ( 0.000 0.000 8.327) 8.327 5.747 ( 0.000 0.000 2.400) 2.400 5.813 ( 0.000 0.000 -1.281) 1.281 5.983 ( 0.000 0.000 -8.043) 8.043 6.180 ( 0.000 0.000 3.500) 3.500 6.333 ( 0.000 0.000 -3.948) 3.948 6.843 ( 0.000 0.000 1.026) 1.026 6.877 ( 0.000 0.000 -0.030) 0.030 7.134 ( 0.000 0.000 2.204) 2.204 7.148 ( 0.000 0.000 2.172) 2.172 7.265 ( 0.000 0.000 2.682) 2.682 7.425 ( 0.000 0.000 -4.572) 4.572 7.573 ( 0.000 0.000 11.253) 11.253 8.070 ( 0.000 0.000 -12.378) 12.378 8.402 ( 0.000 0.000 5.222) 5.222 8.620 ( 0.000 0.000 -5.210) 5.210 9.034 ( 0.000 0.000 7.108) 7.108 9.278 ( 0.000 0.000 -4.209) 4.209 9.776 ( 0.000 0.000 0.558) 0.558 9.823 ( 0.000 0.000 -1.399) 1.399 10.393 ( 0.000 0.000 1.347) 1.347 10.447 ( 0.000 0.000 -1.172) 1.172 12.267 ( 0.000 0.000 3.533) 3.533 12.397 ( 0.000 0.000 -2.665) 2.665 12.815 ( 0.000 0.000 0.289) 0.289 12.834 ( 0.000 0.000 -0.612) 0.612 14.804 ( 0.000 0.000 4.774) 4.774 15.029 ( 0.000 0.000 -6.220) 6.220 15.465 ( 0.000 0.000 5.397) 5.397 15.678 ( 0.000 0.000 -5.103) 5.103 19.342 ( 0.000 0.000 0.187) 0.187 19.350 ( 0.000 0.000 -0.170) 0.170 20.809 ( 0.000 0.000 0.956) 0.956 20.853 ( 0.000 0.000 -1.117) 1.117 22.657 ( 0.000 0.000 6.867) 6.867 22.981 ( 0.000 0.000 -8.917) 8.917 23.573 ( 0.000 0.000 13.551) 13.551 24.189 ( 0.000 0.000 -16.567) 16.567 25.420 ( 0.000 0.000 8.298) 8.298 25.628 ( 0.000 0.000 -2.706) 2.706 25.962 ( 0.000 0.000 12.807) 12.807 26.453 ( 0.000 0.000 -10.559) 10.559 ======================= Grid point 99 (34/64) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 3.069 0.000 22.447) 22.655 0.690 ( 1.721 0.000 12.386) 12.505 1.005 ( -1.245 0.000 -3.949) 4.140 1.160 ( 14.277 0.000 7.333) 16.050 1.594 ( 4.379 0.000 -7.335) 8.543 1.906 ( -1.429 0.000 1.052) 1.774 1.931 ( -4.644 0.000 -4.604) 6.539 1.999 ( 1.300 0.000 -3.487) 3.721 2.041 ( 3.993 0.000 0.883) 4.089 2.120 ( 0.371 0.000 -9.551) 9.558 2.178 ( -2.736 0.000 6.934) 7.455 2.279 ( -4.273 0.000 -1.388) 4.493 2.730 ( 1.855 0.000 4.010) 4.418 2.778 ( 7.910 0.000 12.409) 14.716 2.928 ( 1.228 0.000 -6.594) 6.707 2.930 ( 1.443 0.000 3.486) 3.773 3.004 ( 0.644 0.000 1.400) 1.541 3.397 ( 3.113 0.000 6.748) 7.431 3.448 ( -1.701 0.000 6.374) 6.597 3.510 ( 0.358 0.000 4.863) 4.877 3.559 ( 7.070 0.000 -21.048) 22.203 3.720 ( 5.105 0.000 3.974) 6.470 3.858 ( -3.819 0.000 15.058) 15.535 3.898 ( -2.713 0.000 -5.140) 5.812 4.150 ( -2.079 0.000 -10.596) 10.798 4.195 ( 2.747 0.000 -0.914) 2.895 4.370 ( -0.679 0.000 -5.650) 5.690 4.390 ( 0.851 0.000 -3.347) 3.454 4.822 ( -0.417 0.000 2.823) 2.853 5.080 ( -2.506 0.000 -11.753) 12.017 5.652 ( 2.478 0.000 8.134) 8.503 5.737 ( -0.838 0.000 2.473) 2.611 5.802 ( -1.097 0.000 -1.142) 1.584 5.968 ( -1.117 0.000 -6.004) 6.107 6.217 ( 3.012 0.000 1.979) 3.604 6.354 ( 2.126 0.000 -3.936) 4.474 6.831 ( -0.621 0.000 1.918) 2.016 6.890 ( 0.820 0.000 -0.130) 0.830 7.108 ( -2.923 0.000 2.115) 3.608 7.128 ( -1.613 0.000 1.587) 2.263 7.224 ( -3.299 0.000 3.919) 5.122 7.419 ( -2.027 0.000 -2.130) 2.941 7.508 ( -4.537 0.000 8.107) 9.290 7.925 ( -11.032 0.000 -7.564) 13.376 8.435 ( 3.226 0.000 5.344) 6.242 8.658 ( 3.619 0.000 -5.315) 6.430 9.002 ( -3.002 0.000 6.988) 7.606 9.250 ( -2.730 0.000 -4.597) 5.347 9.779 ( 0.360 0.000 0.902) 0.972 9.828 ( 0.353 0.000 -1.084) 1.140 10.396 ( 0.276 0.000 1.162) 1.194 10.445 ( -0.164 0.000 -1.130) 1.142 12.316 ( 4.965 0.000 4.352) 6.602 12.545 ( 10.417 0.000 -8.170) 13.238 12.815 ( -0.101 0.000 -0.164) 0.192 12.836 ( 0.260 0.000 -0.900) 0.937 14.813 ( 1.112 0.000 5.095) 5.215 15.069 ( 2.211 0.000 -7.280) 7.608 15.476 ( 1.947 0.000 3.448) 3.960 15.705 ( 2.122 0.000 -7.218) 7.524 19.345 ( 0.235 0.000 0.174) 0.292 19.352 ( 0.174 0.000 -0.154) 0.232 20.810 ( 0.090 0.000 0.856) 0.861 20.849 ( -0.333 0.000 -1.013) 1.066 22.609 ( -4.508 0.000 7.070) 8.385 22.796 ( -14.948 0.000 3.447) 15.341 23.622 ( 4.076 0.000 7.265) 8.330 24.157 ( -3.106 0.000 -15.906) 16.207 25.442 ( 1.933 0.000 7.717) 7.956 25.636 ( 0.744 0.000 -2.422) 2.534 25.908 ( -5.047 0.000 11.237) 12.318 26.230 ( -17.170 0.000 -0.628) 17.182 ======================= Grid point 100 (35/64) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 3.323 0.000 8.661) 9.277 0.801 ( 13.381 0.000 10.380) 16.935 0.966 ( -2.645 0.000 -2.871) 3.904 1.345 ( 3.114 0.000 -7.549) 8.166 1.675 ( 0.795 0.000 3.574) 3.662 1.887 ( -0.226 0.000 2.483) 2.493 1.891 ( 1.444 0.000 5.494) 5.681 2.006 ( -1.137 0.000 -2.430) 2.683 2.053 ( -1.271 0.000 -7.406) 7.514 2.127 ( -1.583 0.000 3.594) 3.927 2.174 ( 4.594 0.000 -9.513) 10.564 2.198 ( -3.230 0.000 -0.974) 3.374 2.801 ( 4.810 0.000 3.224) 5.791 2.924 ( 3.988 0.000 8.023) 8.960 2.959 ( 1.210 0.000 2.620) 2.886 2.961 ( 1.697 0.000 -5.528) 5.782 3.065 ( 7.606 0.000 8.066) 11.087 3.406 ( -1.332 0.000 2.699) 3.010 3.479 ( 1.785 0.000 2.045) 2.714 3.505 ( 0.877 0.000 -1.250) 1.527 3.676 ( -2.522 0.000 4.110) 4.821 3.789 ( -0.304 0.000 -3.961) 3.972 3.816 ( 6.103 0.000 -8.258) 10.268 3.911 ( 4.889 0.000 1.906) 5.247 4.108 ( -0.401 0.000 -2.388) 2.421 4.250 ( 1.956 0.000 0.834) 2.127 4.334 ( -3.272 0.000 -9.876) 10.404 4.385 ( -2.057 0.000 0.349) 2.087 4.818 ( 0.354 0.000 2.064) 2.094 5.009 ( -4.311 0.000 -9.010) 9.988 5.717 ( 3.771 0.000 7.244) 8.167 5.721 ( -0.559 0.000 2.280) 2.347 5.773 ( -1.643 0.000 -0.652) 1.768 5.939 ( -2.028 0.000 -3.225) 3.809 6.286 ( 3.864 0.000 1.377) 4.102 6.411 ( 2.880 0.000 -2.998) 4.157 6.834 ( 1.345 0.000 2.660) 2.981 6.899 ( 0.053 0.000 1.477) 1.477 7.018 ( -5.223 0.000 3.814) 6.467 7.091 ( -2.030 0.000 -0.776) 2.174 7.169 ( -1.838 0.000 4.409) 4.777 7.291 ( -8.255 0.000 8.711) 12.001 7.485 ( 0.932 0.000 -5.742) 5.817 7.722 ( -8.419 0.000 -7.000) 10.949 8.526 ( 5.595 0.000 5.623) 7.933 8.756 ( 5.655 0.000 -5.248) 7.715 8.921 ( -4.732 0.000 6.408) 7.966 9.170 ( -5.137 0.000 -5.258) 7.351 9.791 ( 0.845 0.000 1.360) 1.601 9.832 ( -0.027 0.000 -0.269) 0.271 10.404 ( 0.546 0.000 0.664) 0.860 10.440 ( -0.375 0.000 -0.953) 1.024 12.444 ( 7.074 0.000 4.759) 8.526 12.691 ( 2.986 0.000 -5.280) 6.065 12.814 ( 0.309 0.000 -2.639) 2.657 12.848 ( 0.731 0.000 -2.932) 3.022 14.852 ( 2.641 0.000 5.064) 5.712 15.066 ( -2.404 0.000 -2.948) 3.804 15.556 ( 5.318 0.000 -3.132) 6.171 15.739 ( 0.751 0.000 -9.888) 9.916 19.351 ( 0.319 0.000 0.134) 0.346 19.356 ( 0.190 0.000 -0.105) 0.217 20.813 ( 0.231 0.000 0.572) 0.617 20.840 ( -0.533 0.000 -0.721) 0.897 22.486 ( -7.730 0.000 10.943) 13.398 22.524 ( -9.315 0.000 10.323) 13.905 23.718 ( 5.255 0.000 0.668) 5.297 24.069 ( -5.375 0.000 -13.337) 14.379 25.488 ( 2.475 0.000 7.151) 7.567 25.657 ( 1.305 0.000 -1.620) 2.080 25.782 ( -6.779 0.000 8.383) 10.781 25.927 ( -11.351 0.000 4.164) 12.090 ======================= Grid point 101 (36/64) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 4.123 0.000 3.966) 5.721 0.900 ( -3.797 0.000 -0.197) 3.803 1.085 ( 13.440 0.000 -1.439) 13.517 1.300 ( -7.068 0.000 -8.367) 10.953 1.689 ( 2.860 0.000 1.732) 3.343 1.803 ( -7.560 0.000 1.264) 7.665 1.903 ( 1.783 0.000 2.395) 2.986 1.955 ( -3.144 0.000 0.783) 3.240 2.124 ( 0.835 0.000 0.162) 0.850 2.150 ( -1.714 0.000 -0.702) 1.852 2.154 ( 6.856 0.000 -3.752) 7.815 2.227 ( -0.094 0.000 -4.481) 4.482 2.905 ( 4.905 0.000 1.006) 5.007 2.960 ( 0.775 0.000 3.070) 3.166 2.968 ( -0.115 0.000 2.165) 2.168 2.972 ( -1.274 0.000 -2.343) 2.667 3.280 ( 11.897 0.000 14.611) 18.842 3.397 ( 0.650 0.000 0.335) 0.731 3.434 ( -2.823 0.000 -2.384) 3.695 3.512 ( -10.630 0.000 15.410) 18.721 3.598 ( 5.382 0.000 -3.265) 6.295 3.711 ( -5.634 0.000 -6.296) 8.449 4.026 ( 11.227 0.000 -17.569) 20.850 4.063 ( 8.038 0.000 4.219) 9.078 4.139 ( 1.647 0.000 4.654) 4.937 4.223 ( -7.836 0.000 -14.731) 16.685 4.259 ( -0.670 0.000 0.330) 0.746 4.305 ( -4.955 0.000 1.139) 5.084 4.847 ( 2.543 0.000 -0.197) 2.551 4.918 ( -4.350 0.000 -4.465) 6.234 5.720 ( 0.514 0.000 1.415) 1.505 5.741 ( -1.416 0.000 0.261) 1.440 5.800 ( 4.262 0.000 4.644) 6.304 5.881 ( -3.631 0.000 0.609) 3.681 6.372 ( 4.349 0.000 1.301) 4.540 6.435 ( -1.133 0.000 -0.295) 1.171 6.896 ( 2.159 0.000 4.623) 5.102 6.904 ( 3.478 0.000 1.207) 3.682 6.930 ( -3.024 0.000 5.016) 5.856 7.025 ( -5.524 0.000 -0.394) 5.538 7.144 ( -0.448 0.000 3.859) 3.885 7.166 ( -3.025 0.000 5.316) 6.116 7.518 ( 2.358 0.000 -8.509) 8.830 7.588 ( -4.895 0.000 -8.707) 9.988 8.651 ( 6.617 0.000 5.871) 8.846 8.780 ( -5.454 0.000 5.087) 7.458 8.913 ( 6.113 0.000 -4.448) 7.561 9.049 ( -6.659 0.000 -5.547) 8.666 9.810 ( 0.927 0.000 1.290) 1.588 9.826 ( -0.592 0.000 0.659) 0.886 10.417 ( 0.676 0.000 0.022) 0.676 10.430 ( -0.589 0.000 -0.563) 0.815 12.580 ( 6.060 0.000 3.711) 7.106 12.678 ( -3.330 0.000 1.277) 3.566 12.833 ( 1.259 0.000 -4.657) 4.824 12.852 ( -0.458 0.000 -4.743) 4.765 14.917 ( 3.688 0.000 3.992) 5.435 14.996 ( -4.032 0.000 1.501) 4.302 15.659 ( 4.461 0.000 -7.333) 8.583 15.726 ( -2.029 0.000 -9.638) 9.850 19.356 ( 0.203 0.000 0.062) 0.213 19.358 ( 0.023 0.000 -0.026) 0.035 20.819 ( 0.410 0.000 0.159) 0.439 20.829 ( -0.544 0.000 -0.303) 0.622 22.373 ( -1.983 0.000 13.060) 13.210 22.399 ( -4.048 0.000 9.980) 10.770 23.831 ( 5.859 0.000 -4.483) 7.377 23.952 ( -6.060 0.000 -9.229) 11.041 25.547 ( 3.616 0.000 7.008) 7.886 25.640 ( -5.273 0.000 6.155) 8.105 25.704 ( 1.819 0.000 0.404) 1.864 25.771 ( -4.886 0.000 1.637) 5.153 ======================= Grid point 105 (37/64) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 0.000 -0.440 17.145) 17.151 0.909 ( 0.000 -1.375 13.179) 13.251 1.331 ( 0.000 42.989 7.116) 43.574 1.479 ( 0.000 30.511 -0.849) 30.523 1.495 ( 0.000 -3.423 -9.626) 10.217 1.863 ( 0.000 -0.561 -5.946) 5.972 1.971 ( 0.000 2.099 -0.782) 2.240 1.989 ( 0.000 -2.924 -12.454) 12.792 2.095 ( 0.000 2.892 1.845) 3.431 2.133 ( 0.000 7.105 -1.209) 7.207 2.292 ( 0.000 6.085 7.574) 9.716 2.383 ( 0.000 5.295 -0.740) 5.347 2.609 ( 0.000 -3.936 9.603) 10.378 2.823 ( 0.000 7.071 3.589) 7.930 2.859 ( 0.000 -1.545 -5.094) 5.323 3.085 ( 0.000 10.628 2.141) 10.842 3.165 ( 0.000 12.918 1.521) 13.007 3.399 ( 0.000 3.337 7.776) 8.462 3.424 ( 0.000 -3.853 -8.789) 9.597 3.445 ( 0.000 -3.173 2.858) 4.270 3.527 ( 0.000 1.843 7.434) 7.659 3.634 ( 0.000 -0.303 1.511) 1.541 3.851 ( 0.000 -4.425 4.871) 6.581 3.988 ( 0.000 3.409 -13.394) 13.821 4.085 ( 0.000 -3.666 -0.990) 3.797 4.195 ( 0.000 2.972 1.092) 3.166 4.328 ( 0.000 -1.935 -3.579) 4.068 4.426 ( 0.000 2.008 -7.376) 7.645 4.942 ( 0.000 7.373 -0.868) 7.423 5.058 ( 0.000 -4.047 -4.515) 6.063 5.555 ( 0.000 -12.744 4.434) 13.494 5.633 ( 0.000 -14.997 -0.949) 15.027 5.750 ( 0.000 7.202 1.286) 7.316 6.023 ( 0.000 3.767 -7.981) 8.825 6.254 ( 0.000 5.227 3.183) 6.120 6.398 ( 0.000 4.049 -3.808) 5.558 6.826 ( 0.000 -1.719 0.796) 1.894 6.851 ( 0.000 -2.590 0.264) 2.604 7.130 ( 0.000 -0.515 2.162) 2.223 7.142 ( 0.000 -0.499 2.053) 2.113 7.217 ( 0.000 -4.461 3.037) 5.397 7.386 ( 0.000 -3.511 -4.793) 5.942 7.448 ( 0.000 -9.528 6.643) 11.615 7.582 ( 0.000 -29.885 5.499) 30.386 8.442 ( 0.000 2.794 6.148) 6.753 8.674 ( 0.000 0.562 -3.889) 3.929 9.052 ( 0.000 1.572 6.162) 6.360 9.274 ( 0.000 -0.865 -4.969) 5.043 9.915 ( 0.000 7.989 0.197) 7.991 10.024 ( 0.000 15.977 -7.607) 17.696 10.419 ( 0.000 2.276 1.173) 2.561 10.467 ( 0.000 1.703 -1.095) 2.025 12.259 ( 0.000 -0.458 3.303) 3.334 12.387 ( 0.000 -0.897 -2.745) 2.888 12.814 ( 0.000 -0.034 0.525) 0.526 12.835 ( 0.000 0.004 -0.544) 0.544 14.796 ( 0.000 -0.658 4.396) 4.445 15.008 ( 0.000 -2.095 -5.975) 6.332 15.406 ( 0.000 -4.907 4.815) 6.875 15.569 ( 0.000 -8.342 -2.622) 8.744 19.522 ( 0.000 15.563 1.940) 15.684 19.758 ( 0.000 32.273 -14.897) 35.545 20.948 ( 0.000 12.389 0.875) 12.420 20.995 ( 0.000 12.837 -1.231) 12.896 22.622 ( 0.000 -3.126 6.037) 6.799 22.935 ( 0.000 -4.374 -9.265) 10.246 23.481 ( 0.000 -7.513 15.563) 17.281 24.107 ( 0.000 -7.688 -15.854) 17.620 25.391 ( 0.000 -2.553 7.802) 8.209 25.589 ( 0.000 -3.616 -2.585) 4.445 25.939 ( 0.000 -1.969 12.001) 12.162 26.285 ( 0.000 -12.542 -1.032) 12.585 ======================= Grid point 106 (38/64) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 2.346 0.592 19.164) 19.316 1.114 ( 12.583 -2.775 2.427) 13.112 1.333 ( 0.630 40.851 6.550) 41.377 1.485 ( 0.365 32.660 -0.453) 32.665 1.551 ( 5.324 -2.382 -4.924) 7.633 1.884 ( -5.955 -1.724 -2.259) 6.598 1.906 ( 3.495 -1.572 -2.972) 4.850 1.973 ( -2.139 1.864 -5.288) 6.001 2.093 ( -0.072 1.336 -1.588) 2.076 2.182 ( 3.023 8.118 -2.263) 8.953 2.280 ( -1.962 8.143 5.003) 9.756 2.335 ( -2.234 3.751 -0.558) 4.401 2.676 ( 5.084 -2.147 6.114) 8.236 2.842 ( 1.764 0.277 -1.033) 2.063 2.901 ( 5.017 3.983 2.163) 6.761 3.098 ( 0.604 10.718 2.331) 10.985 3.154 ( -0.767 12.370 1.207) 12.452 3.404 ( -0.855 -2.688 2.225) 3.593 3.449 ( 2.254 2.169 4.765) 5.700 3.459 ( 1.076 -2.190 3.428) 4.207 3.561 ( 5.966 -0.210 -10.159) 11.784 3.719 ( 5.663 -0.269 3.156) 6.488 3.824 ( -1.514 -2.971 3.270) 4.670 3.933 ( -4.354 3.903 -1.826) 6.126 4.065 ( -2.445 -5.479 -6.031) 8.507 4.217 ( 1.850 2.294 0.700) 3.029 4.332 ( -0.614 -2.587 -3.591) 4.468 4.420 ( -0.103 2.772 -5.644) 6.289 4.949 ( 0.459 7.904 -0.936) 7.972 5.035 ( -2.312 -3.753 -4.399) 6.227 5.551 ( -0.348 -13.197 3.847) 13.751 5.624 ( -0.805 -14.787 -0.953) 14.840 5.774 ( 2.214 7.572 2.290) 8.215 6.014 ( -0.657 4.217 -5.855) 7.246 6.281 ( 2.169 4.568 2.085) 5.470 6.411 ( 1.359 3.530 -3.743) 5.321 6.812 ( -0.671 -1.909 1.798) 2.707 6.868 ( 0.959 -2.311 -0.019) 2.502 7.106 ( -3.207 -0.194 1.755) 3.661 7.114 ( -2.254 -1.584 1.817) 3.301 7.180 ( -2.618 -4.103 4.398) 6.560 7.355 ( -6.080 -8.336 7.371) 12.680 7.399 ( 0.067 -6.163 -3.718) 7.198 7.582 ( -1.083 -21.427 0.536) 21.461 8.472 ( 3.010 2.720 5.937) 7.191 8.695 ( 2.331 0.700 -3.946) 4.636 9.025 ( -2.645 1.781 5.928) 6.731 9.245 ( -2.808 -0.810 -4.874) 5.683 9.912 ( -0.332 7.889 0.186) 7.898 9.978 ( -3.259 13.593 -3.935) 14.521 10.432 ( 0.864 2.865 0.390) 3.018 10.468 ( 0.032 2.025 -1.004) 2.261 12.313 ( 5.117 -0.197 3.837) 6.399 12.512 ( 9.530 -2.775 -6.496) 11.863 12.810 ( -0.442 -0.298 0.373) 0.651 12.834 ( -0.041 -0.190 -0.750) 0.775 14.808 ( 1.308 -0.429 4.611) 4.812 15.044 ( 2.354 -2.331 -6.833) 7.593 15.407 ( 0.842 -5.814 3.832) 7.014 15.587 ( 1.427 -9.048 -3.974) 9.985 19.527 ( 0.509 15.876 1.695) 15.974 19.733 ( -2.379 30.832 -12.531) 33.366 20.944 ( -0.270 11.517 1.005) 11.564 20.993 ( -0.250 13.044 -1.449) 13.127 22.578 ( -4.079 -2.633 6.312) 7.963 22.769 ( -13.376 -2.262 2.139) 13.733 23.541 ( 4.757 -7.118 8.358) 11.965 24.079 ( -2.799 -7.420 -15.176) 17.123 25.411 ( 1.814 -2.709 7.368) 8.057 25.597 ( 0.774 -3.598 -2.318) 4.349 25.887 ( -4.813 -1.740 10.632) 11.800 26.127 ( -12.718 -8.031 3.285) 15.396 ======================= Grid point 107 (39/64) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 12.577 0.382 9.226) 15.602 1.271 ( 3.071 2.231 -8.341) 9.164 1.360 ( 1.023 34.818 3.841) 35.044 1.484 ( -0.634 33.079 -1.668) 33.127 1.646 ( 0.832 -0.881 3.774) 3.964 1.810 ( -0.866 -2.736 2.569) 3.852 1.930 ( 1.561 -4.870 -5.467) 7.486 1.987 ( 2.512 4.989 0.817) 5.645 2.083 ( -0.372 -0.074 -4.821) 4.836 2.162 ( -4.596 8.444 1.172) 9.685 2.278 ( 2.138 8.447 -0.224) 8.716 2.322 ( 0.216 7.331 -2.272) 7.678 2.788 ( 5.989 0.169 2.340) 6.433 2.891 ( 3.107 -2.762 -3.136) 5.207 3.060 ( 8.441 7.600 10.110) 15.206 3.099 ( 0.615 8.558 2.409) 8.912 3.141 ( -0.398 9.560 0.589) 9.586 3.383 ( -0.365 -1.974 2.226) 2.998 3.453 ( -1.618 -2.690 -0.232) 3.147 3.520 ( 4.030 2.966 2.731) 5.701 3.725 ( 5.524 0.353 -10.772) 12.111 3.747 ( -3.259 -0.843 5.828) 6.731 3.820 ( 0.220 0.191 -3.618) 3.630 3.888 ( 3.182 -1.124 -1.032) 3.529 4.043 ( 2.321 -4.436 0.242) 5.013 4.240 ( 0.061 1.389 -1.748) 2.234 4.286 ( -3.462 -4.154 -1.257) 5.552 4.421 ( -0.714 3.371 -5.364) 6.375 4.946 ( -1.250 7.901 -0.740) 8.034 4.974 ( -3.090 -2.803 -3.325) 5.334 5.547 ( 0.192 -13.748 2.548) 13.983 5.604 ( -1.093 -14.379 -0.720) 14.439 5.831 ( 3.201 8.276 3.953) 9.714 5.997 ( -1.215 5.344 -2.604) 6.068 6.330 ( 2.868 3.150 1.621) 4.557 6.449 ( 1.904 2.288 -2.761) 4.060 6.815 ( 1.238 -1.910 2.523) 3.398 6.879 ( 0.163 -2.096 1.411) 2.531 7.004 ( -5.486 -1.639 4.211) 7.107 7.066 ( -2.734 -2.306 -0.443) 3.604 7.142 ( -1.278 -2.501 4.115) 4.982 7.224 ( -5.906 -5.222 8.039) 11.260 7.412 ( 0.829 -5.699 -7.067) 9.116 7.534 ( -3.176 -13.625 -4.601) 14.728 8.559 ( 5.389 2.573 5.606) 8.191 8.769 ( 4.661 0.341 -3.971) 6.132 8.950 ( -4.442 2.178 5.296) 7.247 9.165 ( -5.018 -0.669 -4.892) 7.040 9.903 ( -0.448 8.134 0.430) 8.157 9.929 ( -1.464 9.425 -0.598) 9.557 10.446 ( 0.566 3.130 -0.098) 3.183 10.467 ( -0.128 2.484 -0.802) 2.614 12.443 ( 7.116 -0.099 4.203) 8.265 12.669 ( 4.594 -2.243 -6.013) 7.892 12.798 ( -0.454 -1.287 -1.086) 1.744 12.834 ( 0.061 -0.929 -1.746) 1.979 14.850 ( 2.788 -0.115 4.602) 5.382 15.054 ( -1.654 -1.088 -3.329) 3.873 15.462 ( 4.242 -8.317 -1.621) 9.476 15.611 ( 0.571 -10.131 -6.107) 11.843 19.543 ( 1.041 16.929 0.936) 16.987 19.673 ( -3.189 27.000 -7.492) 28.201 20.942 ( 0.150 10.510 0.714) 10.535 20.984 ( -0.653 12.828 -1.573) 12.941 22.473 ( -5.891 -0.803 8.342) 10.244 22.516 ( -9.728 -0.045 10.432) 14.264 23.647 ( 5.601 -6.594 1.211) 8.736 23.998 ( -5.057 -6.848 -12.671) 15.265 25.458 ( 2.717 -2.636 6.869) 7.843 25.620 ( 1.490 -3.406 -1.540) 4.024 25.765 ( -6.697 -1.428 8.088) 10.597 25.886 ( -9.831 -3.485 4.718) 11.448 ======================= Grid point 108 (40/64) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 12.850 0.640 -0.667) 12.883 1.243 ( -6.585 1.177 -6.571) 9.377 1.383 ( 2.707 34.120 -0.530) 34.231 1.450 ( -2.977 31.344 -3.134) 31.641 1.652 ( 2.015 0.752 2.060) 2.978 1.734 ( -5.407 -1.373 1.676) 5.825 2.006 ( 2.194 3.510 0.794) 4.215 2.041 ( 2.634 -0.886 -0.085) 2.781 2.072 ( -1.847 8.105 0.818) 8.353 2.094 ( -0.246 -3.327 -4.431) 5.546 2.311 ( 1.444 9.912 -1.109) 10.078 2.331 ( -0.037 8.602 -1.354) 8.708 2.904 ( 4.823 0.721 0.467) 4.899 2.946 ( 1.216 -0.830 -1.518) 2.115 3.076 ( -0.247 8.644 1.901) 8.854 3.100 ( -2.082 9.968 0.898) 10.223 3.292 ( 9.657 0.957 11.192) 14.813 3.402 ( -1.969 -1.144 1.264) 2.604 3.406 ( 2.332 0.676 0.996) 2.624 3.556 ( -7.086 2.506 8.734) 11.523 3.623 ( 1.311 3.388 -0.329) 3.647 3.704 ( -4.654 -0.441 -4.648) 6.593 3.938 ( 6.529 -6.319 -11.311) 14.509 3.979 ( 3.243 -7.635 -1.719) 8.472 4.152 ( 5.161 2.329 5.125) 7.637 4.199 ( -3.205 2.133 -2.113) 4.391 4.245 ( 1.538 -2.154 -4.660) 5.359 4.359 ( -5.705 1.537 -6.671) 8.912 4.912 ( -0.866 2.817 -0.844) 3.065 4.926 ( -1.888 1.949 -1.307) 3.012 5.560 ( 0.993 -13.784 1.217) 13.873 5.582 ( -1.101 -13.916 0.080) 13.960 5.897 ( 3.302 8.235 3.613) 9.580 5.959 ( -2.608 7.018 0.869) 7.538 6.400 ( 3.762 1.781 1.523) 4.432 6.458 ( -1.394 1.401 -0.084) 1.978 6.873 ( 4.236 -2.487 2.878) 5.693 6.883 ( 0.845 -1.801 2.846) 3.472 6.915 ( -3.051 -1.525 4.802) 5.890 6.985 ( -5.518 -3.621 0.443) 6.615 7.126 ( 0.023 -1.584 3.346) 3.702 7.146 ( -1.956 -1.494 3.612) 4.371 7.433 ( 1.372 -6.887 -8.191) 10.789 7.472 ( -2.628 -9.183 -7.620) 12.219 8.681 ( 6.413 2.391 5.339) 8.680 8.801 ( -4.438 1.721 3.734) 6.049 8.925 ( 4.759 0.533 -2.979) 5.640 9.048 ( -6.340 -0.361 -4.813) 7.968 9.900 ( 0.209 7.753 0.759) 7.793 9.909 ( -0.682 7.636 0.473) 7.681 10.456 ( 0.411 2.989 -0.354) 3.038 10.463 ( -0.294 2.754 -0.584) 2.831 12.579 ( 6.084 -0.036 3.272) 6.908 12.676 ( -3.083 -0.153 0.809) 3.191 12.811 ( 1.332 -2.202 -4.413) 5.109 12.831 ( -0.556 -1.757 -3.481) 3.939 14.917 ( 3.717 0.100 3.612) 5.184 14.994 ( -3.745 -0.083 1.128) 3.912 15.548 ( 3.755 -9.764 -5.687) 11.907 15.602 ( -1.510 -10.371 -6.868) 12.530 19.570 ( 1.717 19.043 -0.508) 19.127 19.614 ( -2.599 22.523 -3.140) 22.889 20.951 ( 0.706 10.757 -0.218) 10.782 20.968 ( -0.882 11.850 -1.141) 11.937 22.377 ( -2.204 1.131 11.632) 11.893 22.393 ( -3.437 0.066 9.560) 10.159 23.764 ( 5.947 -6.376 -4.021) 9.602 23.885 ( -5.943 -6.453 -8.681) 12.342 25.524 ( 4.057 -1.959 6.679) 8.057 25.622 ( -4.898 -1.566 5.644) 7.635 25.672 ( 1.508 -2.920 0.826) 3.388 25.741 ( -4.933 -2.680 1.915) 5.932 ======================= Grid point 112 (41/64) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 1.953 5.784) 6.105 0.872 ( 0.000 -2.456 -0.607) 2.530 1.427 ( 0.000 -0.487 -3.309) 3.345 1.699 ( 0.000 -1.197 -6.961) 7.063 1.875 ( 0.000 -3.621 3.494) 5.032 1.994 ( 0.000 2.583 0.078) 2.584 2.099 ( 0.000 5.746 -2.933) 6.451 2.105 ( 0.000 11.126 3.398) 11.633 2.176 ( 0.000 12.957 -2.616) 13.218 2.321 ( 0.000 8.479 -6.296) 10.561 2.431 ( 0.000 4.546 8.405) 9.556 2.631 ( 0.000 11.704 11.025) 16.079 2.661 ( 0.000 17.995 -2.635) 18.187 2.862 ( 0.000 8.419 -4.490) 9.541 2.979 ( 0.000 7.414 -0.564) 7.436 3.236 ( 0.000 0.463 -4.547) 4.571 3.322 ( 0.000 -5.152 2.935) 5.929 3.381 ( 0.000 -0.823 4.172) 4.253 3.382 ( 0.000 2.646 2.852) 3.890 3.475 ( 0.000 9.548 1.085) 9.610 3.668 ( 0.000 3.730 -0.979) 3.857 3.707 ( 0.000 11.060 3.571) 11.622 3.753 ( 0.000 -1.401 -2.287) 2.682 4.061 ( 0.000 2.254 2.094) 3.076 4.079 ( 0.000 2.814 -11.209) 11.557 4.285 ( 0.000 4.874 7.504) 8.948 4.339 ( 0.000 4.529 -4.774) 6.581 4.454 ( 0.000 1.298 -6.813) 6.936 4.951 ( 0.000 -6.017 5.644) 8.249 5.026 ( 0.000 -0.685 -3.627) 3.691 5.199 ( 0.000 -20.123 2.723) 20.306 5.256 ( 0.000 -19.627 -0.466) 19.632 5.943 ( 0.000 9.663 -2.682) 10.028 6.128 ( 0.000 5.492 -8.250) 9.911 6.355 ( 0.000 4.098 1.857) 4.499 6.448 ( 0.000 0.380 -2.409) 2.439 6.760 ( 0.000 -5.826 1.134) 5.936 6.766 ( 0.000 -3.866 0.095) 3.867 7.062 ( 0.000 -8.174 7.489) 11.086 7.082 ( 0.000 -6.860 4.961) 8.465 7.140 ( 0.000 -0.270 0.373) 0.461 7.182 ( 0.000 -4.705 4.821) 6.736 7.275 ( 0.000 -5.991 1.369) 6.145 7.297 ( 0.000 -4.703 -4.595) 6.575 8.492 ( 0.000 1.974 5.622) 5.959 8.645 ( 0.000 -2.612 -0.963) 2.784 9.092 ( 0.000 2.193 3.818) 4.403 9.242 ( 0.000 -2.055 -3.774) 4.297 10.111 ( 0.000 9.706 2.056) 9.921 10.281 ( 0.000 8.221 -6.836) 10.692 10.473 ( 0.000 2.509 0.557) 2.570 10.500 ( 0.000 1.033 -0.722) 1.261 12.258 ( 0.000 0.450 1.949) 2.001 12.359 ( 0.000 -1.733 -2.629) 3.149 12.816 ( 0.000 0.239 0.576) 0.624 12.834 ( 0.000 -0.099 -0.346) 0.360 14.784 ( 0.000 -0.335 2.978) 2.997 14.940 ( 0.000 -4.232 -4.589) 6.242 15.301 ( 0.000 -4.201 3.261) 5.318 15.398 ( 0.000 -7.198 -1.191) 7.296 19.937 ( 0.000 22.164 5.290) 22.786 20.385 ( 0.000 22.504 -19.769) 29.954 21.281 ( 0.000 18.377 -2.702) 18.574 21.335 ( 0.000 17.909 -2.386) 18.067 22.549 ( 0.000 -3.060 3.262) 4.473 22.803 ( 0.000 -7.999 -9.763) 12.622 23.328 ( 0.000 -5.513 15.552) 16.501 23.876 ( 0.000 -14.012 -12.255) 18.615 25.332 ( 0.000 -2.535 5.917) 6.437 25.487 ( 0.000 -5.746 -1.988) 6.081 25.897 ( 0.000 -1.675 10.581) 10.713 26.051 ( 0.000 -8.696 6.898) 11.099 ======================= Grid point 113 (42/64) ======================= q-point: ( 0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 5.152 6.835 6.980) 11.044 1.034 ( 11.595 -4.158 -4.800) 13.220 1.503 ( 6.928 -0.762 -1.839) 7.209 1.709 ( 1.059 -1.383 -6.865) 7.082 1.824 ( -4.655 -1.462 3.538) 6.027 1.947 ( -3.814 2.049 0.189) 4.333 2.102 ( 0.566 5.159 2.150) 5.618 2.141 ( -3.045 9.521 -2.294) 10.256 2.177 ( 4.770 12.266 -2.842) 13.464 2.342 ( 1.739 9.582 -1.833) 9.909 2.421 ( -0.202 5.348 5.527) 7.693 2.620 ( -1.005 19.297 0.099) 19.323 2.728 ( 5.898 8.523 4.771) 11.410 2.857 ( 0.357 9.570 -4.111) 10.422 3.027 ( 4.744 6.790 1.173) 8.366 3.289 ( 3.576 4.976 -1.653) 6.347 3.316 ( -0.041 -4.002 2.325) 4.629 3.389 ( 0.767 -0.479 2.047) 2.238 3.409 ( 1.197 6.175 0.637) 6.322 3.495 ( 2.890 3.120 -2.553) 4.960 3.648 ( -0.361 6.318 3.496) 7.230 3.733 ( -1.219 1.040 0.072) 1.605 3.778 ( 4.651 2.360 -1.530) 5.435 4.006 ( -4.380 0.908 -0.845) 4.552 4.057 ( -2.254 6.247 -5.209) 8.441 4.252 ( -1.613 1.632 7.117) 7.478 4.373 ( 0.415 6.721 -7.588) 10.145 4.448 ( 0.053 -0.361 -3.342) 3.362 4.932 ( -1.411 -5.311 4.916) 7.373 5.051 ( 1.601 0.067 -3.006) 3.407 5.192 ( -0.748 -19.823 2.214) 19.960 5.247 ( -0.779 -19.923 -0.659) 19.949 5.968 ( 2.435 9.684 -1.363) 10.078 6.131 ( 0.418 6.198 -6.008) 8.643 6.368 ( 0.950 3.502 1.256) 3.840 6.451 ( 0.517 -0.007 -2.543) 2.595 6.749 ( -0.238 -3.992 1.331) 4.215 6.785 ( 0.994 -5.255 0.320) 5.357 7.022 ( -3.578 -6.599 6.922) 10.212 7.059 ( -2.406 -6.256 4.041) 7.827 7.112 ( -1.580 0.017 1.162) 1.962 7.179 ( -0.989 -3.588 3.849) 5.354 7.285 ( 0.625 -7.318 0.044) 7.345 7.295 ( -0.113 -5.252 -4.908) 7.189 8.524 ( 3.141 2.140 5.284) 6.509 8.673 ( 2.823 -2.255 -1.294) 3.838 9.068 ( -2.460 2.196 3.736) 4.983 9.214 ( -2.656 -1.977 -3.672) 4.945 10.106 ( -0.431 9.776 1.706) 9.933 10.228 ( -4.085 9.578 -4.256) 11.249 10.477 ( 0.327 0.887 0.446) 1.045 10.517 ( 0.978 1.961 -1.571) 2.696 12.313 ( 5.171 0.400 2.322) 5.683 12.446 ( 7.402 -3.236 -4.005) 9.017 12.807 ( -0.928 0.067 0.585) 1.099 12.829 ( -0.505 -0.318 -0.520) 0.792 14.801 ( 1.709 -0.104 3.149) 3.585 14.973 ( 2.791 -4.404 -5.225) 7.381 15.283 ( -1.406 -4.811 3.603) 6.173 15.401 ( 0.110 -7.909 -1.897) 8.134 19.951 ( 1.464 22.741 4.749) 23.278 20.364 ( -2.158 24.625 -18.673) 30.979 21.218 ( -4.526 13.299 1.095) 14.090 21.336 ( -1.031 17.425 -4.672) 18.070 22.527 ( -1.932 -1.296 3.962) 4.595 22.726 ( -6.642 -1.203 -3.006) 7.389 23.365 ( 3.414 -8.397 10.187) 13.636 23.852 ( -2.391 -13.992 -11.796) 18.456 25.349 ( 1.635 -2.655 5.748) 6.540 25.496 ( 0.912 -5.658 -1.747) 5.992 25.849 ( -4.437 -1.513 9.554) 10.642 25.967 ( -7.309 -6.388 7.011) 11.974 ======================= Grid point 114 (43/64) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 12.248 8.955 3.173) 15.501 1.234 ( 7.238 -0.924 -9.176) 11.723 1.627 ( -0.123 0.060 -0.466) 0.486 1.734 ( 3.963 -5.083 -1.415) 6.598 1.773 ( 1.841 2.666 -1.522) 3.579 1.840 ( -6.443 0.397 -2.152) 6.805 2.059 ( -3.983 7.270 -0.182) 8.292 2.093 ( -2.563 -0.385 -0.197) 2.600 2.275 ( 4.646 14.903 -0.981) 15.642 2.372 ( 1.127 13.173 3.296) 13.626 2.451 ( 2.831 7.617 -0.057) 8.127 2.588 ( -1.947 15.228 -3.411) 15.726 2.879 ( 8.607 9.500 2.975) 13.160 2.905 ( 4.411 11.531 -2.051) 12.515 3.157 ( 7.241 4.173 3.809) 9.184 3.285 ( -2.674 5.859 2.062) 6.762 3.358 ( 2.413 3.637 1.021) 4.483 3.403 ( -0.522 -1.675 -0.752) 1.908 3.405 ( -0.049 11.595 -0.477) 11.605 3.590 ( 3.494 0.733 0.956) 3.696 3.659 ( 1.806 -0.560 -4.097) 4.512 3.726 ( 1.526 -2.925 2.855) 4.363 3.828 ( -1.650 0.512 -4.610) 4.923 3.970 ( 0.075 0.914 -5.118) 5.199 3.997 ( -0.039 8.095 5.919) 10.029 4.231 ( -0.142 0.466 3.802) 3.833 4.353 ( -1.398 7.055 -5.874) 9.285 4.435 ( -2.517 -2.330 -3.059) 4.596 4.906 ( -0.951 -3.462 4.137) 5.477 5.054 ( -2.187 1.509 -2.814) 3.870 5.179 ( -0.008 -20.495 1.442) 20.545 5.231 ( -0.785 -19.927 -0.935) 19.965 6.033 ( 3.655 9.939 1.352) 10.675 6.144 ( 0.677 7.880 -2.278) 8.230 6.384 ( 0.920 1.635 1.374) 2.326 6.471 ( 1.044 -0.293 -2.193) 2.447 6.758 ( 1.282 -3.204 1.868) 3.924 6.802 ( 0.736 -5.025 1.220) 5.223 6.940 ( -4.205 -3.821 5.495) 7.904 6.989 ( -4.289 -5.093 2.395) 7.076 7.091 ( -0.466 -0.999 1.703) 2.029 7.147 ( -1.740 -1.829 2.508) 3.559 7.286 ( -0.249 -6.456 -4.878) 8.096 7.296 ( -0.123 -7.440 -3.888) 8.395 8.613 ( 5.509 2.473 4.585) 7.582 8.755 ( 5.079 -1.566 -1.954) 5.663 8.996 ( -4.494 2.162 3.579) 6.139 9.138 ( -4.823 -1.843 -3.459) 6.214 10.098 ( -0.325 10.007 1.123) 10.075 10.153 ( -2.949 10.660 -1.449) 11.155 10.486 ( 0.571 0.337 0.222) 0.699 10.525 ( -0.175 1.748 -1.590) 2.369 12.444 ( 7.162 0.361 2.650) 7.645 12.600 ( 6.732 -3.950 -4.878) 9.204 12.777 ( -2.064 -0.493 0.613) 2.209 12.814 ( -0.974 -1.046 -1.140) 1.828 14.852 ( 3.256 0.423 3.301) 4.656 15.022 ( 1.082 -2.232 -4.318) 4.980 15.268 ( 0.488 -8.326 2.192) 8.623 15.395 ( -0.861 -9.502 -3.084) 10.027 19.996 ( 3.017 24.420 2.993) 24.787 20.293 ( -4.840 28.416 -13.893) 31.999 21.143 ( -2.164 6.285 3.000) 7.293 21.287 ( -3.606 12.718 -5.049) 14.150 22.484 ( -1.982 3.366 5.542) 6.780 22.585 ( -6.356 8.084 4.724) 11.316 23.453 ( 5.040 -11.577 2.755) 12.924 23.781 ( -4.544 -13.840 -10.014) 17.677 25.397 ( 3.186 -2.569 5.524) 6.875 25.525 ( 2.055 -5.225 -1.011) 5.705 25.733 ( -6.631 -1.339 7.500) 10.100 25.806 ( -7.751 -3.667 5.528) 10.202 ======================= Grid point 115 (44/64) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 12.169 8.339 -2.700) 14.997 1.294 ( -2.689 5.616 -8.099) 10.215 1.576 ( 0.022 -0.239 -2.873) 2.883 1.667 ( -7.621 1.092 -4.376) 8.856 1.848 ( 4.465 -1.486 -0.179) 4.709 1.876 ( 4.319 -2.434 -0.518) 4.984 1.982 ( -2.665 2.065 -0.950) 3.503 2.020 ( -4.119 -2.587 -1.567) 5.110 2.354 ( 2.869 17.003 1.116) 17.279 2.384 ( -0.199 17.626 2.256) 17.771 2.507 ( 2.431 8.356 -1.766) 8.880 2.549 ( -1.864 11.529 -2.977) 12.052 3.013 ( 5.304 13.451 0.712) 14.477 3.038 ( 5.090 14.203 1.711) 15.184 3.224 ( -1.665 4.701 0.978) 5.082 3.255 ( -0.153 3.339 -0.038) 3.343 3.341 ( -0.545 4.696 0.858) 4.805 3.373 ( -1.817 -0.585 -0.392) 1.949 3.492 ( 6.750 6.689 3.961) 10.295 3.594 ( -2.100 1.865 4.211) 5.062 3.677 ( 0.353 -1.420 0.182) 1.475 3.727 ( -3.794 0.763 1.437) 4.128 3.837 ( 3.386 -2.053 -4.744) 6.179 3.894 ( -3.186 4.051 -1.981) 5.521 4.140 ( 9.153 -4.229 -2.403) 10.365 4.265 ( 3.414 5.860 1.681) 6.987 4.306 ( -5.184 1.280 -5.634) 7.762 4.343 ( -4.846 1.981 -0.393) 5.250 4.907 ( 1.524 -1.840 1.359) 2.749 4.974 ( -4.621 -0.319 -1.489) 4.866 5.193 ( 1.072 -19.926 0.320) 19.958 5.214 ( -0.937 -19.775 -0.494) 19.804 6.103 ( 2.992 10.294 2.487) 11.005 6.144 ( -0.988 9.729 0.903) 9.821 6.421 ( 2.659 0.001 1.400) 3.005 6.469 ( -1.487 -0.458 -0.062) 1.557 6.804 ( 3.158 -3.631 2.570) 5.455 6.822 ( 1.680 -3.851 2.274) 4.777 6.863 ( -3.185 -3.097 4.570) 6.374 6.895 ( -4.715 -4.314 1.695) 6.611 7.095 ( 0.790 -0.945 0.885) 1.517 7.117 ( -1.290 -1.073 0.950) 1.928 7.283 ( 0.004 -6.880 -6.027) 9.147 7.288 ( -0.460 -7.043 -5.897) 9.198 8.736 ( 6.354 2.738 3.873) 7.929 8.839 ( -0.744 1.498 0.700) 1.813 8.923 ( 1.083 -0.510 0.300) 1.234 9.026 ( -6.075 -1.768 -3.043) 7.021 10.096 ( 0.267 10.343 0.661) 10.367 10.111 ( -1.307 10.650 -0.002) 10.730 10.499 ( 0.750 0.515 -0.283) 0.953 10.515 ( -0.733 1.089 -0.968) 1.631 12.582 ( 6.151 0.403 2.076) 6.505 12.672 ( -1.418 -0.270 -0.677) 1.594 12.749 ( 1.037 -3.197 -2.000) 3.911 12.787 ( -1.733 -2.326 -2.279) 3.689 14.926 ( 3.945 0.982 2.649) 4.852 14.999 ( -2.897 0.747 0.159) 2.996 15.308 ( 2.943 -11.660 -2.049) 12.199 15.363 ( -2.253 -11.189 -3.570) 11.959 20.074 ( 4.669 26.895 -0.479) 27.301 20.181 ( -5.796 29.051 -6.411) 30.309 21.142 ( 1.901 4.011 0.386) 4.455 21.206 ( -4.036 7.070 -3.113) 8.716 22.460 ( -0.083 8.618 6.931) 11.060 22.489 ( -3.040 11.150 7.166) 13.599 23.562 ( 5.653 -12.981 -2.683) 14.411 23.677 ( -5.598 -13.552 -6.865) 16.190 25.479 ( 4.920 -1.964 5.556) 7.677 25.575 ( 1.092 -3.360 1.811) 3.970 25.603 ( -4.075 -2.493 4.610) 6.639 25.673 ( -5.415 -3.485 2.644) 6.961 ======================= Grid point 119 (45/64) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 3.561 -6.443) 7.362 0.799 ( 0.000 -4.196 -9.615) 10.491 1.486 ( 0.000 5.524 -3.656) 6.624 1.619 ( 0.000 -6.171 -9.235) 11.107 1.874 ( 0.000 4.242 9.653) 10.544 2.012 ( 0.000 -7.229 6.346) 9.620 2.051 ( 0.000 2.614 -0.673) 2.700 2.113 ( 0.000 -2.251 -0.784) 2.384 2.436 ( 0.000 3.320 -1.339) 3.580 2.465 ( 0.000 1.157 5.367) 5.490 2.498 ( 0.000 10.099 -3.634) 10.733 2.675 ( 0.000 -6.123 -4.669) 7.700 2.950 ( 0.000 12.176 3.903) 12.786 3.122 ( 0.000 5.883 3.284) 6.738 3.139 ( 0.000 -7.105 -3.417) 7.884 3.220 ( 0.000 -3.402 5.311) 6.308 3.310 ( 0.000 9.772 -4.529) 10.770 3.367 ( 0.000 -1.287 0.742) 1.486 3.449 ( 0.000 11.078 2.688) 11.399 3.637 ( 0.000 -4.569 -4.720) 6.570 3.783 ( 0.000 7.170 -1.171) 7.265 3.800 ( 0.000 11.442 -6.361) 13.091 3.947 ( 0.000 8.766 2.743) 9.185 4.075 ( 0.000 -1.838 -4.461) 4.825 4.240 ( 0.000 14.772 6.013) 15.949 4.360 ( 0.000 0.984 5.849) 5.931 4.365 ( 0.000 -2.731 1.236) 2.998 4.572 ( 0.000 0.113 -7.101) 7.102 4.758 ( 0.000 -11.565 3.063) 11.964 4.834 ( 0.000 -12.667 1.446) 12.749 4.853 ( 0.000 -3.747 5.694) 6.816 4.963 ( 0.000 -8.917 -4.333) 9.914 6.118 ( 0.000 6.613 -5.924) 8.878 6.198 ( 0.000 -0.171 -8.691) 8.693 6.419 ( 0.000 1.792 0.851) 1.984 6.435 ( 0.000 -0.557 0.854) 1.020 6.668 ( 0.000 -1.883 0.597) 1.976 6.685 ( 0.000 -3.110 -0.230) 3.119 6.948 ( 0.000 -2.109 7.359) 7.656 6.964 ( 0.000 -3.538 5.870) 6.854 7.152 ( 0.000 1.487 -1.775) 2.316 7.162 ( 0.000 0.505 1.383) 1.472 7.192 ( 0.000 -2.382 0.807) 2.515 7.207 ( 0.000 -3.648 -3.662) 5.169 8.532 ( 0.000 2.088 3.710) 4.258 8.584 ( 0.000 -2.861 1.414) 3.192 9.141 ( 0.000 2.430 1.042) 2.644 9.193 ( 0.000 -2.486 -1.591) 2.952 10.290 ( 0.000 6.795 1.583) 6.977 10.369 ( 0.000 -0.042 -1.925) 1.925 10.510 ( 0.000 0.760 -0.482) 0.900 10.510 ( 0.000 0.288 -0.795) 0.845 12.279 ( 0.000 1.535 -0.031) 1.535 12.318 ( 0.000 -2.085 -1.748) 2.720 12.823 ( 0.000 0.361 0.319) 0.482 12.830 ( 0.000 -0.270 -0.036) 0.273 14.792 ( 0.000 1.436 0.733) 1.612 14.849 ( 0.000 -3.900 -1.933) 4.353 15.251 ( 0.000 -0.440 1.256) 1.331 15.284 ( 0.000 -3.544 -0.228) 3.551 20.372 ( 0.000 17.640 4.889) 18.305 20.597 ( 0.000 -1.915 -4.303) 4.710 21.634 ( 0.000 11.745 -11.522) 16.453 21.652 ( 0.000 9.656 -7.044) 11.952 22.522 ( 0.000 1.157 -0.594) 1.300 22.623 ( 0.000 -8.061 -7.364) 10.918 23.316 ( 0.000 5.599 8.123) 9.866 23.554 ( 0.000 -15.358 -3.715) 15.801 25.310 ( 0.000 0.833 2.690) 2.816 25.371 ( 0.000 -4.742 -0.320) 4.752 25.882 ( 0.000 0.474 9.593) 9.604 25.924 ( 0.000 -3.762 8.857) 9.623 ======================= Grid point 120 (46/64) ======================= q-point: ( 0.14 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 10.667 6.840 -4.380) 13.407 0.948 ( 12.524 -4.251 -8.198) 15.560 1.520 ( 3.297 2.725 -4.065) 5.901 1.616 ( -0.153 -5.793 -8.220) 10.058 1.871 ( -0.694 5.783 7.258) 9.306 2.009 ( -3.764 3.750 -0.114) 5.315 2.028 ( 0.802 -7.997 4.876) 9.401 2.092 ( -2.450 -3.708 0.113) 4.445 2.438 ( 0.503 6.939 -0.567) 6.980 2.496 ( 2.641 0.829 2.814) 3.947 2.515 ( 1.949 6.997 -3.547) 8.083 2.658 ( -1.421 -5.513 -4.592) 7.314 2.988 ( 3.877 10.097 3.833) 11.475 3.087 ( 0.363 1.100 0.551) 1.282 3.250 ( 5.158 -0.512 1.545) 5.409 3.269 ( 5.986 -1.766 0.848) 6.299 3.329 ( 2.276 8.611 -4.611) 10.029 3.397 ( 2.393 -1.553 -1.675) 3.308 3.471 ( 2.157 10.055 4.287) 11.141 3.633 ( -0.208 -3.646 -1.620) 3.995 3.757 ( -0.918 11.110 -1.514) 11.250 3.843 ( 1.937 4.017 -5.597) 7.156 3.905 ( -3.606 12.295 2.499) 13.054 4.079 ( -1.189 3.485 -5.426) 6.557 4.182 ( -2.710 7.112 5.515) 9.399 4.320 ( -2.459 2.772 6.851) 7.789 4.386 ( -0.590 -3.404 1.694) 3.847 4.504 ( -5.185 -3.526 -5.893) 8.605 4.747 ( -0.767 -11.315 3.244) 11.795 4.830 ( -0.995 -12.541 1.037) 12.623 4.892 ( 3.334 -2.078 2.295) 4.550 4.999 ( 2.414 -6.661 -2.578) 7.540 6.144 ( 2.451 6.582 -4.435) 8.307 6.218 ( 1.910 0.492 -6.874) 7.151 6.418 ( -0.507 1.189 0.881) 1.564 6.434 ( 0.411 -0.542 0.017) 0.680 6.678 ( 0.917 -1.766 0.572) 2.071 6.691 ( 0.651 -2.983 0.129) 3.056 6.930 ( -1.782 -1.852 6.385) 6.883 6.946 ( -1.730 -3.429 5.214) 6.475 7.130 ( -1.514 1.743 -0.781) 2.437 7.159 ( -0.835 0.560 0.939) 1.376 7.184 ( -0.490 -3.120 -0.274) 3.170 7.201 ( -0.552 -3.529 -3.512) 5.009 8.567 ( 3.406 2.159 3.387) 5.267 8.618 ( 3.321 -2.693 1.097) 4.414 9.116 ( -2.496 2.395 1.059) 3.618 9.167 ( -2.559 -2.446 -1.522) 3.853 10.290 ( 0.033 7.138 1.403) 7.275 10.363 ( -0.595 1.914 -2.028) 2.851 10.479 ( -1.526 0.739 0.713) 1.839 10.522 ( -0.090 -1.608 -1.439) 2.160 12.334 ( 5.169 1.663 0.155) 5.432 12.382 ( 5.783 -2.780 -2.007) 6.723 12.812 ( -1.102 0.359 0.266) 1.189 12.821 ( -0.923 -0.424 -0.168) 1.029 14.814 ( 2.153 1.664 0.878) 2.860 14.876 ( 2.625 -4.178 -2.036) 5.338 15.231 ( -1.968 -0.178 1.429) 2.438 15.273 ( -1.155 -4.147 -0.535) 4.338 20.400 ( 2.725 18.188 4.527) 18.940 20.624 ( 2.570 -0.765 -4.790) 5.489 21.481 ( -11.699 11.162 -5.979) 17.240 21.588 ( -7.735 3.569 -9.421) 12.701 22.566 ( 4.236 5.748 0.054) 7.140 22.699 ( 6.046 -3.732 -7.230) 10.137 23.283 ( -2.944 3.643 7.905) 9.188 23.522 ( -3.079 -16.139 -3.860) 16.878 25.324 ( 1.481 0.718 2.746) 3.201 25.382 ( 1.202 -4.590 -0.127) 4.747 25.835 ( -4.384 0.353 8.763) 9.805 25.870 ( -5.022 -3.027 8.160) 10.049 ======================= Grid point 121 (47/64) ======================= q-point: ( 0.29 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 13.197 10.050 -3.042) 16.864 1.218 ( 12.971 -2.190 -7.286) 15.038 1.604 ( 3.120 -1.699 -5.537) 6.579 1.621 ( 1.750 -4.083 -5.625) 7.168 1.833 ( -2.785 5.253 0.908) 6.014 1.909 ( -6.054 4.716 -0.185) 7.676 1.988 ( -4.821 -7.125 1.244) 8.692 2.034 ( -3.267 -5.169 1.354) 6.263 2.473 ( 3.210 7.528 0.246) 8.187 2.557 ( 3.021 1.617 0.182) 3.431 2.571 ( 2.992 3.846 -2.690) 5.566 2.636 ( -0.432 -3.413 -3.521) 4.923 3.100 ( 6.824 5.522 2.775) 9.206 3.140 ( 4.504 1.721 -0.645) 4.864 3.328 ( 1.638 4.607 -2.082) 5.314 3.348 ( 1.706 3.140 -1.717) 3.964 3.410 ( 3.963 3.127 0.875) 5.124 3.504 ( 7.989 -4.774 -0.955) 9.355 3.533 ( 4.271 10.100 3.863) 11.627 3.641 ( 1.630 -1.047 3.008) 3.578 3.751 ( -0.304 11.810 -1.314) 11.886 3.786 ( -5.577 8.456 0.350) 10.135 3.869 ( -2.138 7.860 -1.449) 8.273 4.026 ( -0.724 11.474 -4.450) 12.328 4.201 ( 2.863 -6.752 3.611) 8.175 4.229 ( -6.951 7.221 5.996) 11.680 4.342 ( -3.421 -3.967 0.267) 5.245 4.417 ( -2.708 -9.088 -5.478) 10.952 4.743 ( 0.786 -9.232 2.417) 9.575 4.815 ( -0.060 -13.060 -0.509) 13.070 4.932 ( -0.057 -0.366 1.504) 1.549 5.016 ( -1.364 -4.774 -1.536) 5.198 6.210 ( 3.903 6.440 -0.918) 7.586 6.270 ( 3.134 2.123 -3.102) 4.894 6.403 ( -0.783 1.218 1.245) 1.910 6.447 ( 0.499 -1.843 -0.992) 2.151 6.702 ( 1.536 -1.518 1.068) 2.409 6.713 ( 1.456 -2.643 0.840) 3.132 6.879 ( -3.178 -1.466 4.698) 5.858 6.895 ( -3.328 -3.028 3.835) 5.912 7.104 ( -0.854 1.983 -0.813) 2.307 7.134 ( -1.305 0.347 0.160) 1.360 7.175 ( -0.471 -3.505 -1.192) 3.732 7.187 ( -0.744 -3.854 -4.147) 5.710 8.663 ( 5.846 2.331 2.665) 6.834 8.712 ( 5.770 -2.335 0.370) 6.236 9.042 ( -4.710 2.314 1.166) 5.376 9.092 ( -4.771 -2.395 -1.319) 5.499 10.293 ( 0.372 8.009 1.040) 8.085 10.347 ( -0.982 6.450 -1.569) 6.710 10.457 ( -0.583 -2.243 1.141) 2.583 10.508 ( -1.218 -3.461 -1.375) 3.918 12.465 ( 7.138 1.775 0.371) 7.365 12.520 ( 7.129 -3.415 -2.221) 8.211 12.777 ( -2.452 0.417 0.179) 2.493 12.792 ( -1.952 -0.959 -0.562) 2.246 14.877 ( 3.991 2.271 1.168) 4.739 14.949 ( 4.348 -4.247 -2.240) 6.478 15.176 ( -3.391 -0.243 1.714) 3.808 15.235 ( -2.672 -5.486 -1.099) 6.200 20.482 ( 5.428 19.900 3.286) 20.888 20.694 ( 4.031 4.600 -6.270) 8.759 21.224 ( -12.432 5.814 -0.712) 13.743 21.384 ( -11.398 -4.245 -7.477) 14.278 22.670 ( 5.530 13.437 1.389) 14.597 22.815 ( 4.421 7.787 -5.115) 10.312 23.222 ( -2.232 -5.356 5.696) 8.131 23.436 ( -5.281 -17.948 -3.997) 19.131 25.372 ( 3.314 0.515 3.009) 4.506 25.422 ( 2.822 -4.088 0.499) 4.993 25.720 ( -6.682 0.180 6.864) 9.581 25.744 ( -6.889 -2.127 6.192) 9.504 ======================= Grid point 122 (48/64) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 11.544 10.535 -4.390) 16.234 1.439 ( 7.242 4.933 -7.573) 11.581 1.575 ( -2.948 0.675 -4.664) 5.558 1.658 ( -4.294 -3.909 -7.677) 9.626 1.793 ( 1.077 1.117 -0.050) 1.553 1.832 ( 0.955 -0.768 -1.944) 2.298 1.888 ( -4.078 -5.825 0.841) 7.160 1.938 ( -5.647 -5.898 -1.134) 8.244 2.548 ( 3.494 5.798 0.443) 6.783 2.592 ( -0.418 4.352 -0.144) 4.375 2.619 ( 1.921 0.914 -2.455) 3.248 2.638 ( 0.081 -0.884 -2.508) 2.660 3.237 ( 5.819 1.591 0.738) 6.078 3.244 ( 5.007 1.792 -1.061) 5.423 3.327 ( -2.576 1.077 -1.222) 3.048 3.330 ( -1.968 0.956 -1.939) 2.924 3.496 ( 4.865 10.007 3.580) 11.689 3.606 ( 0.302 0.398 1.685) 1.757 3.621 ( -0.257 0.062 0.909) 0.946 3.660 ( 1.742 17.903 4.794) 18.615 3.677 ( -0.892 1.494 -0.076) 1.741 3.761 ( -3.612 20.121 1.680) 20.512 3.871 ( 7.592 1.607 0.020) 7.760 4.055 ( -8.115 2.407 5.390) 10.035 4.080 ( 3.622 5.732 -5.156) 8.519 4.194 ( -5.419 -5.719 1.867) 8.097 4.321 ( 3.111 -5.708 -2.718) 7.046 4.380 ( -1.999 -10.383 -4.166) 11.364 4.789 ( 3.636 -5.570 1.335) 6.785 4.837 ( 1.542 -8.543 0.161) 8.682 4.893 ( -2.426 -3.510 0.104) 4.268 4.945 ( -4.909 -5.457 -1.300) 7.455 6.288 ( 3.409 6.774 1.377) 7.708 6.324 ( 0.843 6.188 0.083) 6.246 6.399 ( 1.106 -1.770 1.353) 2.487 6.438 ( -1.601 -2.693 0.002) 3.133 6.744 ( 2.647 -1.539 2.200) 3.771 6.752 ( 2.519 -2.185 1.623) 3.709 6.809 ( -3.498 -1.507 3.476) 5.157 6.819 ( -3.833 -2.495 2.612) 5.266 7.101 ( 0.439 1.703 -1.472) 2.293 7.114 ( -0.748 1.044 -1.212) 1.766 7.167 ( -0.150 -4.076 -2.798) 4.946 7.173 ( -0.640 -4.256 -4.091) 5.939 8.792 ( 6.698 2.604 1.919) 7.438 8.840 ( 6.347 -1.566 -0.356) 6.547 8.932 ( -5.850 1.721 1.415) 6.260 8.979 ( -6.237 -2.484 -0.927) 6.777 10.305 ( 0.825 9.012 0.552) 9.066 10.325 ( -1.084 9.141 -0.352) 9.212 10.458 ( 0.663 -4.570 0.252) 4.624 10.480 ( -1.393 -4.585 -0.745) 4.849 12.602 ( 6.117 1.614 0.307) 6.334 12.647 ( 5.027 -2.328 -1.832) 5.835 12.712 ( -3.840 0.247 0.154) 3.851 12.740 ( -3.315 -2.036 -1.170) 4.063 14.968 ( 4.656 3.185 1.173) 5.762 15.026 ( 1.339 0.760 -1.419) 2.094 15.113 ( -1.018 -5.190 1.015) 5.385 15.167 ( -3.888 -7.131 -1.364) 8.236 20.614 ( 7.398 22.921 0.374) 24.088 20.735 ( -2.257 20.857 -5.890) 21.790 21.058 ( -1.338 -9.900 1.468) 10.097 21.165 ( -9.478 -10.545 -4.017) 14.737 22.776 ( 4.708 19.631 2.223) 20.309 22.845 ( -1.529 20.458 0.144) 20.516 23.227 ( 2.996 -18.136 -0.140) 18.382 23.321 ( -5.675 -19.818 -3.396) 20.892 25.459 ( 5.277 0.364 3.692) 6.451 25.498 ( 4.643 -3.207 1.747) 5.908 25.581 ( -6.687 0.178 4.973) 8.336 25.609 ( -6.248 -2.351 3.728) 7.646 ======================= Grid point 147 (49/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 0.000 -8.996) 8.996 0.893 ( 0.000 0.000 8.996) 8.996 1.010 ( 0.000 0.000 -13.678) 13.678 1.010 ( 0.000 0.000 13.678) 13.678 1.558 ( 0.000 0.000 -16.835) 16.835 1.558 ( 0.000 0.000 16.835) 16.835 1.936 ( 0.000 0.000 -1.141) 1.141 1.936 ( 0.000 0.000 1.141) 1.141 2.105 ( 0.000 0.000 -1.075) 1.075 2.105 ( 0.000 0.000 1.075) 1.075 2.299 ( 0.000 0.000 -2.244) 2.244 2.299 ( 0.000 0.000 2.244) 2.244 2.813 ( 0.000 0.000 -5.072) 5.072 2.813 ( 0.000 0.000 5.072) 5.072 2.978 ( 0.000 0.000 -2.183) 2.183 2.978 ( 0.000 0.000 2.183) 2.183 3.040 ( 0.000 0.000 -22.255) 22.255 3.040 ( 0.000 0.000 22.255) 22.255 3.521 ( 0.000 0.000 -1.553) 1.553 3.521 ( 0.000 0.000 1.553) 1.553 3.650 ( 0.000 0.000 -8.821) 8.821 3.650 ( 0.000 0.000 8.821) 8.821 3.932 ( 0.000 0.000 -9.917) 9.917 3.932 ( 0.000 0.000 9.917) 9.917 4.197 ( 0.000 0.000 -13.874) 13.874 4.197 ( 0.000 0.000 13.874) 13.874 4.228 ( 0.000 0.000 -6.595) 6.595 4.228 ( 0.000 0.000 6.595) 6.595 4.916 ( 0.000 0.000 -6.831) 6.831 4.916 ( 0.000 0.000 6.831) 6.831 5.785 ( 0.000 0.000 -1.667) 1.667 5.785 ( 0.000 0.000 1.667) 1.667 5.806 ( 0.000 0.000 -9.849) 9.849 5.806 ( 0.000 0.000 9.849) 9.849 6.255 ( 0.000 0.000 -4.127) 4.127 6.255 ( 0.000 0.000 4.127) 4.127 6.865 ( 0.000 0.000 -1.085) 1.085 6.865 ( 0.000 0.000 1.085) 1.085 7.164 ( 0.000 0.000 -0.578) 0.578 7.164 ( 0.000 0.000 0.578) 0.578 7.336 ( 0.000 0.000 -4.471) 4.471 7.336 ( 0.000 0.000 4.471) 4.471 7.815 ( 0.000 0.000 -13.482) 13.482 7.815 ( 0.000 0.000 13.482) 13.482 8.511 ( 0.000 0.000 -5.915) 5.915 8.511 ( 0.000 0.000 5.915) 5.915 9.171 ( 0.000 0.000 -6.718) 6.718 9.171 ( 0.000 0.000 6.718) 6.718 9.795 ( 0.000 0.000 -1.377) 1.377 9.795 ( 0.000 0.000 1.377) 1.377 10.421 ( 0.000 0.000 -1.466) 1.466 10.421 ( 0.000 0.000 1.466) 1.466 12.336 ( 0.000 0.000 -3.532) 3.532 12.336 ( 0.000 0.000 3.532) 3.532 12.823 ( 0.000 0.000 -0.515) 0.515 12.823 ( 0.000 0.000 0.515) 0.515 14.910 ( 0.000 0.000 -6.043) 6.043 14.910 ( 0.000 0.000 6.043) 6.043 15.572 ( 0.000 0.000 -5.694) 5.694 15.572 ( 0.000 0.000 5.694) 5.694 19.346 ( 0.000 0.000 -0.206) 0.206 19.346 ( 0.000 0.000 0.206) 0.206 20.830 ( 0.000 0.000 -1.195) 1.195 20.830 ( 0.000 0.000 1.195) 1.195 22.808 ( 0.000 0.000 -8.707) 8.707 22.808 ( 0.000 0.000 8.707) 8.707 23.866 ( 0.000 0.000 -16.516) 16.516 23.866 ( 0.000 0.000 16.516) 16.516 25.552 ( 0.000 0.000 -5.340) 5.340 25.552 ( 0.000 0.000 5.340) 5.340 26.220 ( 0.000 0.000 -13.322) 13.322 26.220 ( 0.000 0.000 13.322) 13.322 ======================= Grid point 149 (50/64) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.296 0.000 -8.232) 8.238 0.889 ( -0.296 0.000 8.232) 8.238 1.030 ( 2.010 0.000 -18.306) 18.416 1.030 ( 2.010 0.000 18.306) 18.416 1.674 ( 9.808 0.000 -13.806) 16.935 1.674 ( 9.808 0.000 13.806) 16.935 1.940 ( 0.322 0.000 -2.471) 2.492 1.940 ( 0.322 0.000 2.471) 2.492 2.074 ( -3.180 0.000 -2.146) 3.836 2.074 ( -3.180 0.000 2.146) 3.836 2.252 ( -3.829 0.000 -1.777) 4.221 2.252 ( -3.829 0.000 1.777) 4.221 2.817 ( 1.036 0.000 -5.114) 5.218 2.817 ( 1.036 0.000 5.114) 5.218 2.986 ( 0.245 0.000 -1.907) 1.923 2.986 ( 0.245 0.000 1.907) 1.923 3.134 ( 8.930 0.000 -21.500) 23.281 3.134 ( 8.930 0.000 21.500) 23.281 3.498 ( -2.151 0.000 -3.004) 3.695 3.498 ( -2.151 0.000 3.004) 3.695 3.647 ( -0.299 0.000 -8.498) 8.503 3.647 ( -0.299 0.000 8.498) 8.503 3.942 ( 1.384 0.000 -8.359) 8.473 3.942 ( 1.384 0.000 8.359) 8.473 4.165 ( -3.252 0.000 -14.901) 15.251 4.165 ( -3.252 0.000 14.901) 15.251 4.278 ( 3.891 0.000 -7.083) 8.082 4.278 ( 3.891 0.000 7.083) 8.082 4.905 ( -1.045 0.000 -6.300) 6.387 4.905 ( -1.045 0.000 6.300) 6.387 5.775 ( -0.869 0.000 -1.609) 1.829 5.775 ( -0.869 0.000 1.609) 1.829 5.821 ( 1.311 0.000 -8.824) 8.921 5.821 ( 1.311 0.000 8.824) 8.921 6.277 ( 2.169 0.000 -3.865) 4.431 6.277 ( 2.169 0.000 3.865) 4.431 6.869 ( 0.501 0.000 -1.808) 1.876 6.869 ( 0.501 0.000 1.808) 1.876 7.137 ( -2.565 0.000 -0.708) 2.661 7.137 ( -2.565 0.000 0.708) 2.661 7.318 ( -1.515 0.000 -5.709) 5.907 7.318 ( -1.515 0.000 5.709) 5.907 7.726 ( -7.869 0.000 -11.923) 14.286 7.726 ( -7.869 0.000 11.923) 14.286 8.546 ( 3.437 0.000 -6.030) 6.941 8.546 ( 3.437 0.000 6.030) 6.941 9.139 ( -3.098 0.000 -6.790) 7.464 9.139 ( -3.098 0.000 6.790) 7.464 9.802 ( 0.656 0.000 -1.439) 1.581 9.802 ( 0.656 0.000 1.439) 1.581 10.420 ( -0.013 0.000 -1.354) 1.354 10.420 ( -0.013 0.000 1.354) 1.354 12.414 ( 6.726 0.000 -5.827) 8.898 12.414 ( 6.726 0.000 5.827) 8.898 12.821 ( -0.262 0.000 -0.644) 0.695 12.821 ( -0.262 0.000 0.644) 0.695 14.930 ( 1.737 0.000 -6.852) 7.069 14.930 ( 1.737 0.000 6.852) 7.069 15.576 ( 0.384 0.000 -6.246) 6.258 15.576 ( 0.384 0.000 6.246) 6.258 19.348 ( 0.206 0.000 -0.190) 0.280 19.348 ( 0.206 0.000 0.190) 0.280 20.829 ( -0.120 0.000 -1.077) 1.084 20.829 ( -0.120 0.000 1.077) 1.084 22.744 ( -5.863 0.000 -6.289) 8.598 22.744 ( -5.863 0.000 6.289) 8.598 23.853 ( -1.147 0.000 -15.067) 15.111 23.853 ( -1.147 0.000 15.067) 15.111 25.566 ( 1.278 0.000 -5.009) 5.170 25.566 ( 1.278 0.000 5.009) 5.170 26.117 ( -9.017 0.000 -9.575) 13.153 26.117 ( -9.017 0.000 9.575) 13.153 ======================= Grid point 151 (51/64) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -0.312 0.000 -5.878) 5.886 0.883 ( -0.312 0.000 5.878) 5.886 1.085 ( 3.175 0.000 -16.555) 16.857 1.085 ( 3.175 0.000 16.555) 16.857 1.833 ( 1.322 0.000 -11.379) 11.456 1.833 ( 1.322 0.000 11.379) 11.456 1.945 ( 0.180 0.000 -3.380) 3.384 1.945 ( 0.180 0.000 3.380) 3.384 2.030 ( 2.708 0.000 -7.506) 7.979 2.030 ( 2.708 0.000 7.506) 7.979 2.176 ( -3.209 0.000 -1.577) 3.576 2.176 ( -3.209 0.000 1.577) 3.576 2.868 ( 3.596 0.000 -4.078) 5.437 2.868 ( 3.596 0.000 4.078) 5.437 2.988 ( 0.032 0.000 -0.714) 0.714 2.988 ( 0.032 0.000 0.714) 0.714 3.361 ( 12.724 0.000 -20.098) 23.788 3.361 ( 12.724 0.000 20.098) 23.788 3.449 ( -2.297 0.000 -2.680) 3.529 3.449 ( -2.297 0.000 2.680) 3.529 3.630 ( -1.455 0.000 -9.935) 10.041 3.630 ( -1.455 0.000 9.935) 10.041 4.006 ( 5.282 0.000 -6.646) 8.489 4.006 ( 5.282 0.000 6.646) 8.489 4.064 ( -6.799 0.000 -17.004) 18.313 4.064 ( -6.799 0.000 17.004) 18.313 4.335 ( 0.787 0.000 -5.080) 5.140 4.335 ( 0.787 0.000 5.080) 5.140 4.880 ( -1.283 0.000 -4.611) 4.786 4.880 ( -1.283 0.000 4.611) 4.786 5.755 ( -1.036 0.000 -1.280) 1.647 5.755 ( -1.036 0.000 1.280) 1.647 5.849 ( 1.253 0.000 -6.063) 6.191 5.849 ( 1.253 0.000 6.063) 6.191 6.341 ( 3.918 0.000 -3.817) 5.470 6.341 ( 3.918 0.000 3.817) 5.470 6.887 ( 1.342 0.000 -2.343) 2.700 6.887 ( 1.342 0.000 2.343) 2.700 7.069 ( -3.833 0.000 -1.701) 4.194 7.069 ( -3.833 0.000 1.701) 4.194 7.283 ( -2.009 0.000 -6.702) 6.996 7.283 ( -2.009 0.000 6.702) 6.996 7.551 ( -8.236 0.000 -9.779) 12.785 7.551 ( -8.236 0.000 9.779) 12.785 8.642 ( 5.832 0.000 -6.249) 8.548 8.642 ( 5.832 0.000 6.249) 8.548 9.052 ( -5.342 0.000 -6.810) 8.655 9.052 ( -5.342 0.000 6.810) 8.655 9.817 ( 0.712 0.000 -1.198) 1.394 9.817 ( 0.712 0.000 1.198) 1.394 10.420 ( -0.002 0.000 -0.987) 0.987 10.420 ( -0.002 0.000 0.987) 0.987 12.558 ( 6.633 0.000 -6.964) 9.617 12.558 ( 6.633 0.000 6.964) 9.617 12.810 ( -0.839 0.000 -1.278) 1.529 12.810 ( -0.839 0.000 1.278) 1.529 14.966 ( 1.572 0.000 -6.395) 6.586 14.966 ( 1.572 0.000 6.395) 6.586 15.589 ( 0.863 0.000 -5.536) 5.603 15.589 ( 0.863 0.000 5.536) 5.603 19.353 ( 0.257 0.000 -0.138) 0.292 19.353 ( 0.257 0.000 0.138) 0.292 20.826 ( -0.149 0.000 -0.746) 0.761 20.826 ( -0.149 0.000 0.746) 0.761 22.607 ( -6.730 0.000 -2.156) 7.067 22.607 ( -6.730 0.000 2.156) 7.067 23.830 ( -0.916 0.000 -10.357) 10.397 23.830 ( -0.916 0.000 10.357) 10.397 25.600 ( 2.105 0.000 -4.387) 4.866 25.600 ( 2.105 0.000 4.387) 4.866 25.916 ( -9.627 0.000 -4.648) 10.690 25.916 ( -9.627 0.000 4.648) 10.690 ======================= Grid point 153 (52/64) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -0.118 0.000 -2.144) 2.147 0.878 ( -0.118 0.000 2.144) 2.147 1.140 ( 1.760 0.000 -6.739) 6.965 1.140 ( 1.760 0.000 6.739) 6.965 1.770 ( -3.247 0.000 -4.805) 5.799 1.770 ( -3.247 0.000 4.805) 5.799 1.946 ( -0.042 0.000 -1.693) 1.693 1.946 ( -0.042 0.000 1.693) 1.693 2.133 ( -1.045 0.000 -0.851) 1.348 2.133 ( -1.045 0.000 0.851) 1.348 2.139 ( 4.057 0.000 -3.199) 5.166 2.139 ( 4.057 0.000 3.199) 5.166 2.931 ( 1.904 0.000 -1.773) 2.602 2.931 ( 1.904 0.000 1.773) 2.602 2.988 ( 0.002 0.000 -0.195) 0.195 2.988 ( 0.002 0.000 0.195) 0.195 3.415 ( -0.889 0.000 -0.931) 1.288 3.415 ( -0.889 0.000 0.931) 1.288 3.599 ( -1.137 0.000 -3.937) 4.098 3.599 ( -1.137 0.000 3.937) 4.098 3.615 ( 11.253 0.000 -17.322) 20.656 3.615 ( 11.253 0.000 17.322) 20.656 3.898 ( -8.898 0.000 -16.476) 18.725 3.898 ( -8.898 0.000 16.476) 18.725 4.143 ( 7.349 0.000 -3.433) 8.111 4.143 ( 7.349 0.000 3.433) 8.111 4.292 ( -4.696 0.000 -2.371) 5.261 4.292 ( -4.696 0.000 2.371) 5.261 4.860 ( -0.560 0.000 -1.725) 1.814 4.860 ( -0.560 0.000 1.725) 1.814 5.739 ( -0.443 0.000 -0.504) 0.671 5.739 ( -0.443 0.000 0.504) 0.671 5.868 ( 0.489 0.000 -2.190) 2.244 5.868 ( 0.489 0.000 2.190) 2.244 6.412 ( 2.368 0.000 -2.107) 3.170 6.412 ( 2.368 0.000 2.107) 3.170 6.926 ( 2.554 0.000 -0.852) 2.692 6.926 ( 2.554 0.000 0.852) 2.692 6.995 ( -3.392 0.000 -2.183) 4.034 6.995 ( -3.392 0.000 2.183) 4.034 7.239 ( -1.856 0.000 -2.913) 3.454 7.239 ( -1.856 0.000 2.913) 3.454 7.434 ( -2.850 0.000 -4.215) 5.088 7.434 ( -2.850 0.000 4.215) 5.088 8.768 ( 6.043 0.000 -5.724) 8.323 8.768 ( 6.043 0.000 5.724) 8.323 8.934 ( -5.806 0.000 -5.929) 8.299 8.934 ( -5.806 0.000 5.929) 8.299 9.828 ( 0.285 0.000 -0.466) 0.546 9.828 ( 0.285 0.000 0.466) 0.546 10.420 ( 0.004 0.000 -0.366) 0.366 10.420 ( 0.004 0.000 0.366) 0.366 12.660 ( 3.095 0.000 -3.818) 4.915 12.660 ( 3.095 0.000 3.818) 4.915 12.788 ( -1.085 0.000 -1.511) 1.860 12.788 ( -1.085 0.000 1.511) 1.860 14.987 ( 0.495 0.000 -2.599) 2.646 14.987 ( 0.495 0.000 2.599) 2.646 15.605 ( 0.508 0.000 -2.185) 2.244 15.605 ( 0.508 0.000 2.185) 2.244 19.357 ( 0.114 0.000 -0.051) 0.125 19.357 ( 0.114 0.000 0.051) 0.125 20.823 ( -0.066 0.000 -0.266) 0.275 20.823 ( -0.066 0.000 0.266) 0.275 22.506 ( -2.760 0.000 -0.426) 2.793 22.506 ( -2.760 0.000 0.426) 2.793 23.818 ( -0.294 0.000 -3.615) 3.627 23.818 ( -0.294 0.000 3.615) 3.627 25.651 ( 2.970 0.000 -3.573) 4.646 25.651 ( 2.970 0.000 3.573) 4.646 25.757 ( -5.781 0.000 -3.097) 6.558 25.757 ( -5.781 0.000 3.097) 6.558 ======================= Grid point 161 (53/64) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 -5.632 -11.180) 12.518 0.941 ( 0.000 -5.632 11.180) 12.518 1.432 ( 0.000 31.790 -3.587) 31.992 1.432 ( 0.000 31.790 3.587) 31.992 1.545 ( 0.000 5.666 -15.677) 16.669 1.545 ( 0.000 5.666 15.677) 16.669 1.952 ( 0.000 0.590 -0.732) 0.940 1.952 ( 0.000 0.590 0.732) 0.940 2.125 ( 0.000 2.189 -0.764) 2.318 2.125 ( 0.000 2.189 0.764) 2.318 2.364 ( 0.000 6.315 -1.478) 6.486 2.364 ( 0.000 6.315 1.478) 6.486 2.760 ( 0.000 -2.694 -5.636) 6.247 2.760 ( 0.000 -2.694 5.636) 6.247 3.034 ( 0.000 1.869 -13.097) 13.229 3.034 ( 0.000 1.869 13.097) 13.229 3.189 ( 0.000 13.214 -3.792) 13.748 3.189 ( 0.000 13.214 3.792) 13.748 3.500 ( 0.000 -2.272 -0.330) 2.296 3.500 ( 0.000 -2.272 0.330) 2.296 3.680 ( 0.000 3.217 -7.195) 7.882 3.680 ( 0.000 3.217 7.195) 7.882 3.817 ( 0.000 -7.021 -3.023) 7.645 3.817 ( 0.000 -7.021 3.023) 7.645 4.177 ( 0.000 -2.794 -9.176) 9.592 4.177 ( 0.000 -2.794 9.176) 9.592 4.295 ( 0.000 5.772 -7.120) 9.166 4.295 ( 0.000 5.772 7.120) 9.166 4.969 ( 0.000 3.370 -3.623) 4.948 4.969 ( 0.000 3.370 3.623) 4.948 5.611 ( 0.000 -14.437 -1.540) 14.519 5.611 ( 0.000 -14.437 1.540) 14.519 5.855 ( 0.000 4.532 -8.511) 9.642 5.855 ( 0.000 4.532 8.511) 9.642 6.324 ( 0.000 4.524 -3.860) 5.947 6.324 ( 0.000 4.524 3.860) 5.947 6.844 ( 0.000 -2.152 -0.874) 2.323 6.844 ( 0.000 -2.152 0.874) 2.323 7.158 ( 0.000 -0.552 -0.487) 0.736 7.158 ( 0.000 -0.552 0.487) 0.736 7.293 ( 0.000 -3.933 -4.668) 6.104 7.293 ( 0.000 -3.933 4.668) 6.104 7.567 ( 0.000 -17.695 -4.846) 18.346 7.567 ( 0.000 -17.695 4.846) 18.346 8.568 ( 0.000 2.779 -6.572) 7.135 8.568 ( 0.000 2.779 6.572) 7.135 9.170 ( 0.000 -0.071 -5.879) 5.880 9.170 ( 0.000 -0.071 5.879) 5.880 9.935 ( 0.000 11.194 -2.303) 11.428 9.935 ( 0.000 11.194 2.303) 11.428 10.444 ( 0.000 1.946 -1.321) 2.352 10.444 ( 0.000 1.946 1.321) 2.352 12.326 ( 0.000 -0.863 -3.502) 3.606 12.326 ( 0.000 -0.863 3.502) 3.606 12.824 ( 0.000 0.075 -0.530) 0.535 12.824 ( 0.000 0.075 0.530) 0.535 14.895 ( 0.000 -1.429 -5.684) 5.861 14.895 ( 0.000 -1.429 5.684) 5.861 15.497 ( 0.000 -6.255 -4.484) 7.696 15.497 ( 0.000 -6.255 4.484) 7.696 19.585 ( 0.000 20.727 -5.112) 21.348 19.585 ( 0.000 20.727 5.112) 21.348 20.970 ( 0.000 12.472 -1.313) 12.541 20.970 ( 0.000 12.472 1.313) 12.541 22.762 ( 0.000 -4.336 -8.402) 9.454 22.762 ( 0.000 -4.336 8.402) 9.454 23.792 ( 0.000 -6.711 -16.601) 17.906 23.792 ( 0.000 -6.711 16.601) 17.906 25.516 ( 0.000 -3.258 -5.108) 6.059 25.516 ( 0.000 -3.258 5.108) 6.059 26.162 ( 0.000 -4.780 -10.190) 11.256 26.162 ( 0.000 -4.780 10.190) 11.256 ======================= Grid point 163 (54/64) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 2.362 -4.313 -16.273) 17.000 0.966 ( 2.362 -4.313 16.273) 17.000 1.433 ( 0.053 34.979 -3.587) 35.162 1.433 ( 0.053 34.979 3.587) 35.162 1.646 ( 8.590 0.772 -12.652) 15.312 1.646 ( 8.590 0.772 12.652) 15.312 1.922 ( -2.743 -0.974 -1.845) 3.446 1.922 ( -2.743 -0.974 1.845) 3.446 2.133 ( 0.387 4.538 -3.048) 5.480 2.133 ( 0.387 4.538 3.048) 5.480 2.329 ( -2.721 7.034 -0.705) 7.575 2.329 ( -2.721 7.034 0.705) 7.575 2.767 ( 1.351 -2.541 -4.311) 5.183 2.767 ( 1.351 -2.541 4.311) 5.183 3.113 ( 5.360 4.300 -6.201) 9.256 3.113 ( 5.360 4.300 6.201) 9.256 3.195 ( 2.392 9.777 -11.052) 14.948 3.195 ( 2.392 9.777 11.052) 14.948 3.471 ( -2.232 -2.619 -1.799) 3.883 3.471 ( -2.232 -2.619 1.799) 3.883 3.670 ( -0.852 2.630 -8.273) 8.723 3.670 ( -0.852 2.630 8.273) 8.723 3.855 ( 3.089 -5.492 -4.818) 7.932 3.855 ( 3.089 -5.492 4.818) 7.932 4.155 ( -2.135 -1.786 -10.346) 10.714 4.155 ( -2.135 -1.786 10.346) 10.714 4.315 ( 1.505 3.913 -5.196) 6.677 4.315 ( 1.505 3.913 5.196) 6.677 4.961 ( -0.728 3.679 -2.455) 4.482 4.961 ( -0.728 3.679 2.455) 4.482 5.601 ( -0.832 -14.448 -1.579) 14.558 5.601 ( -0.832 -14.448 1.579) 14.558 5.878 ( 2.013 5.007 -7.476) 9.220 5.878 ( 2.013 5.007 7.476) 9.220 6.338 ( 1.483 4.065 -3.616) 5.639 6.338 ( 1.483 4.065 3.616) 5.639 6.848 ( 0.499 -2.153 -1.733) 2.808 6.848 ( 0.499 -2.153 1.733) 2.808 7.128 ( -2.903 -0.900 -0.368) 3.061 7.128 ( -2.903 -0.900 0.368) 3.061 7.278 ( -1.244 -3.705 -5.737) 6.942 7.278 ( -1.244 -3.705 5.737) 6.942 7.517 ( -4.536 -15.232 -6.371) 17.122 7.517 ( -4.536 -15.232 6.371) 17.122 8.593 ( 2.583 2.534 -6.247) 7.219 8.593 ( 2.583 2.534 6.247) 7.219 9.141 ( -2.842 0.130 -5.870) 6.523 9.141 ( -2.842 0.130 5.870) 6.523 9.927 ( -0.680 10.193 -1.540) 10.331 9.927 ( -0.680 10.193 1.540) 10.331 10.447 ( 0.275 2.215 -1.069) 2.475 10.447 ( 0.275 2.215 1.069) 2.475 12.401 ( 6.509 -1.182 -5.185) 8.405 12.401 ( 6.509 -1.182 5.185) 8.405 12.820 ( -0.432 -0.082 -0.650) 0.785 12.820 ( -0.432 -0.082 0.650) 0.785 14.915 ( 1.815 -1.377 -6.322) 6.720 14.915 ( 1.815 -1.377 6.322) 6.720 15.497 ( 0.049 -6.589 -5.041) 8.296 15.497 ( 0.049 -6.589 5.041) 8.296 19.583 ( -0.197 20.498 -4.522) 20.992 19.583 ( -0.197 20.498 4.522) 20.992 20.966 ( -0.317 12.141 -1.299) 12.214 20.966 ( -0.317 12.141 1.299) 12.214 22.705 ( -5.164 -3.487 -6.304) 8.864 22.705 ( -5.164 -3.487 6.304) 8.864 23.782 ( -0.809 -6.449 -15.072) 16.413 23.782 ( -0.809 -6.449 15.072) 16.413 25.529 ( 1.271 -3.281 -4.819) 5.967 25.529 ( 1.271 -3.281 4.819) 5.967 26.072 ( -7.972 -3.738 -7.519) 11.578 26.072 ( -7.972 -3.738 7.519) 11.578 ======================= Grid point 165 (55/64) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 3.770 -2.233 -15.279) 15.895 1.030 ( 3.770 -2.233 15.279) 15.895 1.427 ( -0.897 35.176 -3.426) 35.354 1.427 ( -0.897 35.176 3.426) 35.354 1.776 ( -0.418 -2.399 -8.741) 9.074 1.776 ( -0.418 -2.399 8.741) 9.074 1.900 ( 4.386 -2.608 -5.988) 7.867 1.900 ( 4.386 -2.608 5.988) 7.867 2.123 ( -1.488 7.320 -4.454) 8.697 2.123 ( -1.488 7.320 4.454) 8.697 2.289 ( -0.606 8.615 -1.456) 8.758 2.289 ( -0.606 8.615 1.456) 8.758 2.829 ( 4.516 -1.835 -2.634) 5.540 2.829 ( 4.516 -1.835 2.634) 5.540 3.130 ( -1.361 10.337 -1.243) 10.500 3.130 ( -1.361 10.337 1.243) 10.500 3.366 ( 10.385 0.201 -16.374) 19.391 3.366 ( 10.385 0.201 16.374) 19.391 3.434 ( -0.173 -0.877 -0.493) 1.020 3.434 ( -0.173 -0.877 0.493) 1.020 3.646 ( -1.438 1.941 -8.398) 8.739 3.646 ( -1.438 1.941 8.398) 8.739 3.916 ( 1.733 -5.225 -1.577) 5.726 3.916 ( 1.733 -5.225 1.577) 5.726 4.103 ( -1.802 1.169 -9.700) 9.935 4.103 ( -1.802 1.169 9.700) 9.935 4.329 ( -0.681 0.820 -4.409) 4.536 4.329 ( -0.681 0.820 4.409) 4.536 4.939 ( -1.490 3.888 -0.388) 4.182 4.939 ( -1.490 3.888 0.388) 4.182 5.585 ( -0.639 -14.377 -1.376) 14.456 5.585 ( -0.639 -14.377 1.376) 14.456 5.922 ( 2.029 6.301 -4.916) 8.245 5.922 ( 2.029 6.301 4.916) 8.245 6.384 ( 2.946 2.836 -3.534) 5.405 6.384 ( 2.946 2.836 3.534) 5.405 6.866 ( 1.288 -2.183 -2.346) 3.454 6.866 ( 1.288 -2.183 2.346) 3.454 7.052 ( -4.226 -1.576 -1.315) 4.698 7.052 ( -4.226 -1.576 1.315) 4.698 7.250 ( -1.497 -2.941 -6.531) 7.317 7.250 ( -1.497 -2.941 6.531) 7.317 7.409 ( -5.380 -10.822 -7.664) 14.310 7.409 ( -5.380 -10.822 7.664) 14.310 8.672 ( 5.068 1.902 -5.824) 7.951 8.672 ( 5.068 1.902 5.824) 7.951 9.060 ( -5.034 0.563 -5.828) 7.722 9.060 ( -5.034 0.563 5.828) 7.722 9.915 ( -0.367 8.474 -0.784) 8.518 9.915 ( -0.367 8.474 0.784) 8.518 10.452 ( 0.180 2.572 -0.655) 2.660 10.452 ( 0.180 2.572 0.655) 2.660 12.544 ( 6.787 -1.284 -6.196) 9.279 12.544 ( 6.787 -1.284 6.196) 9.279 12.805 ( -1.099 -0.487 -1.210) 1.706 12.805 ( -1.099 -0.487 1.210) 1.706 14.955 ( 1.875 -0.969 -5.979) 6.341 14.955 ( 1.875 -0.969 5.979) 6.341 15.501 ( 0.377 -7.486 -4.692) 8.843 15.501 ( 0.377 -7.486 4.692) 8.843 19.578 ( -0.247 19.965 -2.995) 20.190 19.578 ( -0.247 19.965 2.995) 20.190 20.959 ( -0.386 11.407 -1.067) 11.463 20.959 ( -0.386 11.407 1.067) 11.463 22.584 ( -5.951 -1.703 -2.536) 6.689 22.584 ( -5.951 -1.703 2.536) 6.689 23.766 ( -0.667 -6.061 -10.351) 12.014 23.766 ( -0.667 -6.061 10.351) 12.014 25.566 ( 2.304 -3.117 -4.222) 5.731 25.566 ( 2.304 -3.117 4.222) 5.731 25.889 ( -9.067 -2.306 -3.898) 10.135 25.889 ( -9.067 -2.306 3.898) 10.135 ======================= Grid point 167 (56/64) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 2.605 -1.062 -6.628) 7.201 1.102 ( 2.605 -1.062 6.628) 7.201 1.397 ( -1.584 31.464 -1.905) 31.561 1.397 ( -1.584 31.464 1.905) 31.561 1.720 ( -2.165 1.465 -3.565) 4.420 1.720 ( -2.165 1.465 3.565) 4.420 2.007 ( 3.827 -4.212 -2.780) 6.334 2.007 ( 3.827 -4.212 2.780) 6.334 2.083 ( -2.038 7.540 -1.512) 7.956 2.083 ( -2.038 7.540 1.512) 7.956 2.301 ( 0.958 9.538 -0.886) 9.627 2.301 ( 0.958 9.538 0.886) 9.627 2.918 ( 3.195 -0.125 -1.157) 3.401 2.918 ( 3.195 -0.125 1.157) 3.401 3.097 ( -1.508 8.138 -0.733) 8.309 3.097 ( -1.508 8.138 0.733) 8.309 3.397 ( -0.608 -1.683 -1.127) 2.114 3.397 ( -0.608 -1.683 1.127) 2.114 3.614 ( 4.208 2.575 -4.985) 7.013 3.614 ( 4.208 2.575 4.985) 7.013 3.626 ( 5.902 0.515 -8.941) 10.726 3.626 ( 5.902 0.515 8.941) 10.726 3.851 ( -7.327 -3.574 -11.873) 14.402 3.851 ( -7.327 -3.574 11.873) 14.402 4.153 ( 5.810 0.182 -0.752) 5.862 4.153 ( 5.810 0.182 0.752) 5.862 4.276 ( -4.576 0.388 -3.689) 5.890 4.276 ( -4.576 0.388 3.689) 5.890 4.909 ( -1.106 3.100 -0.470) 3.325 4.909 ( -1.106 3.100 0.470) 3.325 5.578 ( -0.083 -14.068 -0.563) 14.079 5.578 ( -0.083 -14.068 0.563) 14.079 5.951 ( 0.735 7.430 -1.722) 7.662 5.951 ( 0.735 7.430 1.722) 7.662 6.440 ( 1.919 1.686 -1.955) 3.216 6.440 ( 1.919 1.686 1.955) 3.216 6.903 ( 2.459 -2.242 -1.185) 3.532 6.903 ( 2.459 -2.242 1.185) 3.532 6.971 ( -3.656 -2.173 -1.557) 4.529 6.971 ( -3.656 -2.173 1.557) 4.529 7.217 ( -1.399 -1.859 -2.842) 3.673 7.217 ( -1.399 -1.859 2.842) 3.673 7.332 ( -1.871 -8.219 -3.582) 9.158 7.332 ( -1.871 -8.219 3.582) 9.158 8.785 ( 5.382 1.206 -4.859) 7.351 8.785 ( 5.382 1.206 4.859) 7.351 8.949 ( -5.290 1.089 -4.912) 7.300 8.949 ( -5.290 1.089 4.912) 7.300 9.911 ( -0.070 7.463 -0.302) 7.469 9.911 ( -0.070 7.463 0.302) 7.469 10.454 ( 0.050 2.713 -0.225) 2.723 10.454 ( 0.050 2.713 0.225) 2.723 12.651 ( 3.399 -0.789 -3.607) 5.019 12.651 ( 3.399 -0.789 3.607) 5.019 12.777 ( -1.367 -1.041 -1.526) 2.298 12.777 ( -1.367 -1.041 1.526) 2.298 14.982 ( 0.680 -0.393 -2.502) 2.622 14.982 ( 0.680 -0.393 2.502) 2.622 15.509 ( 0.287 -8.312 -1.921) 8.536 15.509 ( 0.287 -8.312 1.921) 8.536 19.574 ( -0.110 19.520 -1.029) 19.547 19.574 ( -0.110 19.520 1.029) 19.547 20.953 ( -0.168 10.829 -0.426) 10.839 20.953 ( -0.168 10.829 0.426) 10.839 22.494 ( -2.457 -0.431 -0.501) 2.545 22.494 ( -2.457 -0.431 0.501) 2.545 23.757 ( -0.219 -5.878 -3.625) 6.910 23.757 ( -0.219 -5.878 3.625) 6.910 25.624 ( 3.505 -2.461 -3.422) 5.482 25.624 ( 3.505 -2.461 3.422) 5.482 25.733 ( -6.091 -2.148 -2.848) 7.059 25.733 ( -6.091 -2.148 2.848) 7.059 ======================= Grid point 175 (57/64) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.000 -7.092 -7.071) 10.014 0.799 ( 0.000 -7.092 7.071) 10.014 1.486 ( 0.000 -1.021 -9.642) 9.696 1.486 ( 0.000 -1.021 9.642) 9.696 1.961 ( 0.000 0.999 -3.933) 4.058 1.961 ( 0.000 0.999 3.933) 4.058 2.119 ( 0.000 9.708 -2.600) 10.050 2.119 ( 0.000 9.708 2.600) 10.050 2.199 ( 0.000 11.274 -6.060) 12.799 2.199 ( 0.000 11.274 6.060) 12.799 2.577 ( 0.000 8.612 -6.185) 10.603 2.577 ( 0.000 8.612 6.185) 10.603 2.782 ( 0.000 11.895 -4.790) 12.823 2.782 ( 0.000 11.895 4.790) 12.823 3.073 ( 0.000 2.032 -9.092) 9.317 3.073 ( 0.000 2.032 9.092) 9.317 3.396 ( 0.000 -0.446 -2.152) 2.198 3.396 ( 0.000 -0.446 2.152) 2.198 3.458 ( 0.000 4.128 -2.968) 5.084 3.458 ( 0.000 4.128 2.968) 5.084 3.686 ( 0.000 -1.770 -2.492) 3.057 3.686 ( 0.000 -1.770 2.492) 3.057 3.854 ( 0.000 8.801 -10.133) 13.421 3.854 ( 0.000 8.801 10.133) 13.421 4.168 ( 0.000 4.365 -9.441) 10.401 4.168 ( 0.000 4.365 9.441) 10.401 4.398 ( 0.000 3.370 -2.924) 4.462 4.398 ( 0.000 3.370 2.924) 4.462 4.997 ( 0.000 -1.293 -0.226) 1.313 4.997 ( 0.000 -1.293 0.226) 1.313 5.240 ( 0.000 -20.188 -1.346) 20.233 5.240 ( 0.000 -20.188 1.346) 20.233 5.977 ( 0.000 6.227 -6.076) 8.700 5.977 ( 0.000 6.227 6.076) 8.700 6.399 ( 0.000 2.519 -2.562) 3.593 6.399 ( 0.000 2.519 2.562) 3.593 6.769 ( 0.000 -4.798 -0.008) 4.798 6.769 ( 0.000 -4.798 0.008) 4.798 7.132 ( 0.000 -3.038 -1.289) 3.300 7.132 ( 0.000 -3.038 1.289) 3.300 7.181 ( 0.000 -5.569 -4.764) 7.329 7.181 ( 0.000 -5.569 4.764) 7.329 7.276 ( 0.000 -7.753 -1.457) 7.888 7.276 ( 0.000 -7.753 1.457) 7.888 8.593 ( 0.000 -0.019 -4.359) 4.359 8.593 ( 0.000 -0.019 4.359) 4.359 9.167 ( 0.000 -0.190 -3.907) 3.911 9.167 ( 0.000 -0.190 3.907) 3.911 10.172 ( 0.000 10.060 -4.397) 10.979 10.172 ( 0.000 10.060 4.397) 10.979 10.486 ( 0.000 1.680 -0.723) 1.829 10.486 ( 0.000 1.680 0.723) 1.829 12.305 ( 0.000 -0.995 -2.835) 3.005 12.305 ( 0.000 -0.995 2.835) 3.005 12.826 ( 0.000 0.106 -0.450) 0.462 12.826 ( 0.000 0.106 0.450) 0.462 14.854 ( 0.000 -2.229 -4.229) 4.780 14.854 ( 0.000 -2.229 4.229) 4.780 15.360 ( 0.000 -5.920 -2.664) 6.492 15.360 ( 0.000 -5.920 2.664) 6.492 20.089 ( 0.000 24.325 -11.119) 26.746 20.089 ( 0.000 24.325 11.119) 26.746 21.288 ( 0.000 16.005 -2.115) 16.144 21.288 ( 0.000 16.005 2.115) 16.144 22.642 ( 0.000 -6.365 -6.648) 9.204 22.642 ( 0.000 -6.365 6.648) 9.204 23.616 ( 0.000 -9.173 -14.466) 17.129 23.616 ( 0.000 -9.173 14.466) 17.129 25.429 ( 0.000 -4.526 -4.063) 6.082 25.429 ( 0.000 -4.526 4.063) 6.082 26.059 ( 0.000 -4.331 -5.124) 6.709 26.059 ( 0.000 -4.331 5.124) 6.709 ======================= Grid point 177 (58/64) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 6.715 -3.340 -10.939) 13.263 0.878 ( 6.715 -3.340 10.939) 13.263 1.545 ( 5.361 -3.112 -6.635) 9.080 1.545 ( 5.361 -3.112 6.635) 9.080 1.909 ( -4.896 1.831 -4.115) 6.652 1.909 ( -4.896 1.831 4.115) 6.652 2.108 ( -1.026 9.724 -0.735) 9.806 2.108 ( -1.026 9.724 0.735) 9.806 2.247 ( 4.104 9.818 -6.128) 12.280 2.247 ( 4.104 9.818 6.128) 12.280 2.548 ( -2.352 9.384 -6.045) 11.408 2.548 ( -2.352 9.384 6.045) 11.408 2.803 ( 2.395 12.180 -2.414) 12.646 2.803 ( 2.395 12.180 2.414) 12.646 3.153 ( 7.110 1.402 -9.642) 12.062 3.153 ( 7.110 1.402 9.642) 12.062 3.382 ( -0.727 -1.100 -3.048) 3.321 3.382 ( -0.727 -1.100 3.048) 3.321 3.440 ( -1.203 6.526 -2.555) 7.111 3.440 ( -1.203 6.526 2.555) 7.111 3.726 ( 2.301 0.000 -0.665) 2.396 3.726 ( 2.301 0.000 0.665) 2.396 3.828 ( -1.644 4.862 -9.584) 10.872 3.828 ( -1.644 4.862 9.584) 10.872 4.165 ( -0.242 5.062 -9.962) 11.177 4.165 ( -0.242 5.062 9.962) 11.177 4.394 ( -0.669 2.635 -4.412) 5.182 4.394 ( -0.669 2.635 4.412) 5.182 4.999 ( 0.090 -0.643 -2.872) 2.945 4.999 ( 0.090 -0.643 2.872) 2.945 5.228 ( -1.051 -20.280 -1.394) 20.355 5.228 ( -1.051 -20.280 1.394) 20.355 6.011 ( 3.074 6.728 -5.389) 9.152 6.011 ( 3.074 6.728 5.389) 9.152 6.404 ( 0.534 2.041 -2.266) 3.096 6.404 ( 0.534 2.041 2.266) 3.096 6.774 ( 0.571 -4.681 -1.168) 4.858 6.774 ( 0.571 -4.681 1.168) 4.858 7.089 ( -3.755 -3.565 -0.879) 5.252 7.089 ( -3.755 -3.565 0.879) 5.252 7.177 ( -0.383 -4.710 -4.969) 6.857 7.177 ( -0.383 -4.710 4.969) 6.857 7.264 ( -1.313 -7.029 -2.565) 7.597 7.264 ( -1.313 -7.029 2.565) 7.597 8.620 ( 2.674 0.219 -4.210) 4.992 8.620 ( 2.674 0.219 4.210) 4.992 9.141 ( -2.556 -0.107 -3.866) 4.635 9.141 ( -2.556 -0.107 3.866) 4.635 10.153 ( -1.519 10.238 -3.251) 10.849 10.153 ( -1.519 10.238 3.251) 10.849 10.492 ( 0.429 1.491 -1.085) 1.894 10.492 ( 0.429 1.491 1.085) 1.894 12.372 ( 5.950 -1.412 -3.599) 7.096 12.372 ( 5.950 -1.412 3.599) 7.096 12.818 ( -0.807 -0.083 -0.558) 0.984 12.818 ( -0.807 -0.083 0.558) 0.984 14.876 ( 2.110 -2.095 -4.619) 5.494 14.876 ( 2.110 -2.095 4.619) 5.494 15.350 ( -0.870 -6.384 -3.219) 7.202 15.350 ( -0.870 -6.384 3.219) 7.202 20.090 ( 0.087 24.969 -10.196) 26.971 20.090 ( 0.087 24.969 10.196) 26.971 21.262 ( -2.389 13.835 -3.224) 14.405 21.262 ( -2.389 13.835 3.224) 14.405 22.623 ( -1.774 -3.355 -5.881) 6.999 22.623 ( -1.774 -3.355 5.881) 6.999 23.605 ( -0.980 -9.757 -13.420) 16.621 23.605 ( -0.980 -9.757 13.420) 16.621 25.443 ( 1.332 -4.490 -3.862) 6.071 25.443 ( 1.332 -4.490 3.862) 6.071 25.990 ( -6.285 -3.519 -3.995) 8.237 25.990 ( -6.285 -3.519 3.995) 8.237 ======================= Grid point 179 (59/64) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 7.403 2.470 -11.349) 13.773 1.026 ( 7.403 2.470 11.349) 13.773 1.653 ( 2.362 -4.823 -3.699) 6.521 1.653 ( 2.362 -4.823 3.699) 6.521 1.799 ( -3.102 1.475 -2.425) 4.205 1.799 ( -3.102 1.475 2.425) 4.205 2.068 ( -3.139 5.706 -1.400) 6.661 2.068 ( -3.139 5.706 1.400) 6.661 2.337 ( 4.226 11.858 -5.159) 13.604 2.337 ( 4.226 11.858 5.159) 13.604 2.506 ( -1.422 10.641 -4.851) 11.781 2.506 ( -1.422 10.641 4.851) 11.781 2.891 ( 6.318 12.520 -0.182) 14.025 2.891 ( 6.318 12.520 0.182) 14.025 3.279 ( 2.360 1.551 -4.473) 5.290 3.279 ( 2.360 1.551 4.473) 5.290 3.373 ( -0.928 2.955 -0.958) 3.242 3.373 ( -0.928 2.955 0.958) 3.242 3.464 ( 6.208 3.791 -6.964) 10.070 3.464 ( 6.208 3.791 6.964) 10.070 3.717 ( -2.229 3.804 -5.497) 7.046 3.717 ( -2.229 3.804 5.497) 7.046 3.834 ( 1.297 -1.992 -7.218) 7.599 3.834 ( 1.297 -1.992 7.218) 7.599 4.159 ( -0.353 5.863 -9.125) 10.852 4.159 ( -0.353 5.863 9.125) 10.852 4.364 ( -2.118 1.250 -4.537) 5.161 4.364 ( -2.118 1.250 4.537) 5.161 4.987 ( -1.645 0.163 -4.107) 4.427 4.987 ( -1.645 0.163 4.107) 4.427 5.208 ( -0.683 -20.507 -1.419) 20.567 5.208 ( -0.683 -20.507 1.419) 20.567 6.085 ( 3.732 8.185 -3.536) 9.665 6.085 ( 3.732 8.185 3.536) 9.665 6.424 ( 1.474 0.784 -2.504) 3.010 6.424 ( 1.474 0.784 2.504) 3.010 6.794 ( 1.448 -4.349 -1.600) 4.855 6.794 ( 1.448 -4.349 1.600) 4.855 7.001 ( -4.652 -3.380 -1.052) 5.846 7.001 ( -4.652 -3.380 1.052) 5.846 7.167 ( -0.544 -4.440 -5.383) 6.999 7.167 ( -0.544 -4.440 5.383) 6.999 7.223 ( -2.463 -5.347 -4.117) 7.183 7.223 ( -2.463 -5.347 4.117) 7.183 8.699 ( 4.968 0.615 -3.922) 6.360 8.699 ( 4.968 0.615 3.922) 6.360 9.067 ( -4.661 0.087 -3.789) 6.007 9.067 ( -4.661 0.087 3.789) 6.007 10.124 ( -1.217 10.412 -1.534) 10.594 10.124 ( -1.217 10.412 1.534) 10.594 10.498 ( 0.201 1.123 -1.088) 1.576 10.498 ( 0.201 1.123 1.088) 1.576 12.511 ( 7.045 -1.679 -4.218) 8.381 12.511 ( 7.045 -1.679 4.218) 8.381 12.793 ( -1.759 -0.621 -0.997) 2.116 12.793 ( -1.759 -0.621 0.997) 2.116 14.930 ( 2.893 -1.293 -4.717) 5.682 14.930 ( 2.893 -1.293 4.717) 5.682 15.328 ( -1.257 -7.880 -3.630) 8.766 15.328 ( -1.257 -7.880 3.630) 8.766 20.092 ( 0.084 26.488 -7.340) 27.487 20.092 ( 0.084 26.488 7.340) 27.487 21.205 ( -2.904 9.134 -3.636) 10.251 21.205 ( -2.904 9.134 3.636) 10.251 22.580 ( -2.167 2.870 -3.796) 5.229 22.580 ( -2.167 2.870 3.796) 5.229 23.583 ( -0.989 -11.090 -9.671) 14.748 23.583 ( -0.989 -11.090 9.671) 14.748 25.484 ( 2.855 -4.141 -3.362) 6.050 25.484 ( 2.855 -4.141 3.362) 6.050 25.836 ( -8.231 -2.426 -2.377) 8.904 25.836 ( -8.231 -2.426 2.377) 8.904 ======================= Grid point 181 (60/64) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 4.515 6.555 -5.294) 9.560 1.156 ( 4.515 6.555 5.294) 9.560 1.580 ( -4.725 -0.759 -3.174) 5.742 1.580 ( -4.725 -0.759 3.174) 5.742 1.861 ( 5.257 -4.124 -1.144) 6.779 1.861 ( 5.257 -4.124 1.144) 6.779 1.985 ( -4.576 1.988 -1.515) 5.214 1.985 ( -4.576 1.988 1.515) 5.214 2.401 ( 1.863 17.203 -2.419) 17.472 2.401 ( 1.863 17.203 2.419) 17.472 2.490 ( -0.353 8.252 -2.263) 8.564 2.490 ( -0.353 8.252 2.263) 8.564 3.032 ( 6.265 15.137 -1.173) 16.424 3.032 ( 6.265 15.137 1.173) 16.424 3.241 ( -4.003 5.486 -1.252) 6.905 3.241 ( -4.003 5.486 1.252) 6.905 3.360 ( -0.192 -0.863 -0.941) 1.291 3.360 ( -0.192 -0.863 0.941) 1.291 3.624 ( 5.500 -0.390 -5.986) 8.138 3.624 ( 5.500 -0.390 5.986) 8.138 3.693 ( 1.193 1.425 -5.492) 5.798 3.693 ( 1.193 1.425 5.492) 5.798 3.828 ( -2.207 4.050 -4.836) 6.683 3.828 ( -2.207 4.050 4.836) 6.683 4.153 ( -0.166 0.418 -5.413) 5.431 4.153 ( -0.166 0.418 5.413) 5.431 4.330 ( -0.816 3.734 -1.707) 4.186 4.330 ( -0.816 3.734 1.707) 4.186 4.941 ( -1.953 -0.413 -1.899) 2.756 4.941 ( -1.953 -0.413 1.899) 2.756 5.203 ( 0.043 -20.458 -0.611) 20.467 5.203 ( 0.043 -20.458 0.611) 20.467 6.141 ( 1.567 9.668 -1.251) 9.874 6.141 ( 1.567 9.668 1.251) 9.874 6.455 ( 1.179 -0.381 -1.589) 2.015 6.455 ( 1.179 -0.381 1.589) 2.015 6.836 ( 2.758 -3.871 -0.961) 4.849 6.836 ( 2.758 -3.871 0.961) 4.849 6.910 ( -4.159 -3.421 -0.434) 5.403 6.910 ( -4.159 -3.421 0.434) 5.403 7.161 ( 0.094 -4.640 -5.241) 7.000 7.161 ( 0.094 -4.640 5.241) 7.000 7.179 ( -1.648 -3.726 -4.796) 6.293 7.179 ( -1.648 -3.726 4.796) 6.293 8.808 ( 5.282 0.997 -3.255) 6.284 8.808 ( 5.282 0.997 3.255) 6.284 8.963 ( -5.104 0.083 -3.238) 6.045 8.963 ( -5.104 0.083 3.238) 6.045 10.107 ( -0.391 10.424 -0.423) 10.440 10.107 ( -0.391 10.424 0.423) 10.440 10.500 ( 0.026 0.851 -0.437) 0.957 10.500 ( 0.026 0.851 0.437) 0.957 12.632 ( 4.406 -0.947 -2.902) 5.360 12.632 ( 4.406 -0.947 2.902) 5.360 12.748 ( -2.384 -1.588 -1.512) 3.239 12.748 ( -2.384 -1.588 1.512) 3.239 14.978 ( 1.424 0.184 -2.300) 2.712 14.978 ( 1.424 0.184 2.300) 2.712 15.306 ( -0.670 -9.852 -1.855) 10.048 15.306 ( -0.670 -9.852 1.855) 10.048 20.093 ( 0.028 27.781 -2.703) 27.912 20.093 ( 0.028 27.781 2.703) 27.912 21.160 ( -1.260 5.521 -1.628) 5.892 21.160 ( -1.260 5.521 1.628) 5.892 22.547 ( -0.940 7.307 -1.254) 7.473 22.547 ( -0.940 7.307 1.254) 7.473 23.569 ( -0.375 -12.127 -3.504) 12.628 23.569 ( -0.375 -12.127 3.504) 12.628 25.560 ( 4.698 -3.238 -2.667) 6.298 25.560 ( 4.698 -3.238 2.667) 6.298 25.680 ( -6.851 -2.519 -2.060) 7.585 25.680 ( -6.851 -2.519 2.060) 7.585 ======================= Grid point 189 (61/64) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 -3.299 -2.515) 4.148 0.681 ( 0.000 -3.299 2.515) 4.148 1.472 ( 0.000 -0.374 -3.821) 3.839 1.472 ( 0.000 -0.374 3.821) 3.839 2.010 ( 0.000 3.688 -4.424) 5.760 2.010 ( 0.000 3.688 4.424) 5.760 2.099 ( 0.000 -3.993 -2.335) 4.626 2.099 ( 0.000 -3.993 2.335) 4.626 2.436 ( 0.000 8.189 -1.994) 8.428 2.436 ( 0.000 8.189 1.994) 8.428 2.570 ( 0.000 -4.215 -5.764) 7.140 2.570 ( 0.000 -4.215 5.764) 7.140 3.050 ( 0.000 2.372 -5.765) 6.234 3.050 ( 0.000 2.372 5.765) 6.234 3.207 ( 0.000 10.123 -4.762) 11.187 3.207 ( 0.000 10.123 4.762) 11.187 3.325 ( 0.000 -3.413 -4.473) 5.627 3.325 ( 0.000 -3.413 4.473) 5.627 3.560 ( 0.000 2.255 -6.184) 6.583 3.560 ( 0.000 2.255 6.184) 6.583 3.733 ( 0.000 5.558 -1.782) 5.837 3.733 ( 0.000 5.558 1.782) 5.837 3.999 ( 0.000 7.123 -2.984) 7.722 3.999 ( 0.000 7.123 2.984) 7.722 4.388 ( 0.000 10.967 -6.766) 12.886 4.388 ( 0.000 10.967 6.766) 12.886 4.402 ( 0.000 -2.021 -1.703) 2.642 4.402 ( 0.000 -2.021 1.703) 2.642 4.816 ( 0.000 -17.176 -3.077) 17.449 4.816 ( 0.000 -17.176 3.077) 17.449 4.936 ( 0.000 -3.309 -0.885) 3.425 4.936 ( 0.000 -3.309 0.885) 3.425 6.076 ( 0.000 2.572 -2.540) 3.615 6.076 ( 0.000 2.572 2.540) 3.615 6.436 ( 0.000 1.067 -0.608) 1.228 6.436 ( 0.000 1.067 0.608) 1.228 6.678 ( 0.000 -2.787 -0.474) 2.827 6.678 ( 0.000 -2.787 0.474) 2.827 7.037 ( 0.000 -2.943 -0.391) 2.969 7.037 ( 0.000 -2.943 0.391) 2.969 7.129 ( 0.000 -1.139 -1.303) 1.731 7.129 ( 0.000 -1.139 1.303) 1.731 7.196 ( 0.000 -1.282 -0.468) 1.365 7.196 ( 0.000 -1.282 0.468) 1.365 8.586 ( 0.000 -0.345 -1.468) 1.508 8.586 ( 0.000 -0.345 1.468) 1.508 9.164 ( 0.000 -0.112 -1.361) 1.366 9.164 ( 0.000 -0.112 1.361) 1.366 10.327 ( 0.000 4.279 -2.231) 4.826 10.327 ( 0.000 4.279 2.231) 4.826 10.503 ( 0.000 0.065 -0.075) 0.099 10.503 ( 0.000 0.065 0.075) 0.099 12.289 ( 0.000 -0.444 -1.112) 1.198 12.289 ( 0.000 -0.444 1.112) 1.198 12.828 ( 0.000 0.050 -0.180) 0.187 12.828 ( 0.000 0.050 0.180) 0.187 14.815 ( 0.000 -1.165 -1.550) 1.939 14.815 ( 0.000 -1.165 1.550) 1.939 15.273 ( 0.000 -2.139 -0.898) 2.320 15.273 ( 0.000 -2.139 0.898) 2.320 20.486 ( 0.000 11.120 -6.562) 12.912 20.486 ( 0.000 11.120 6.562) 12.912 21.550 ( 0.000 7.135 -1.964) 7.401 21.550 ( 0.000 7.135 1.964) 7.401 22.536 ( 0.000 -2.842 -2.217) 3.605 22.536 ( 0.000 -2.842 2.217) 3.605 23.454 ( 0.000 -4.965 -6.357) 8.066 23.454 ( 0.000 -4.965 6.357) 8.066 25.353 ( 0.000 -2.207 -1.631) 2.744 25.353 ( 0.000 -2.207 1.631) 2.744 25.996 ( 0.000 -1.524 -1.482) 2.126 25.996 ( 0.000 -1.524 1.482) 2.126 ======================= Grid point 191 (62/64) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 12.792 -0.792 -3.501) 13.286 0.836 ( 12.792 -0.792 3.501) 13.286 1.490 ( 1.851 -1.651 -2.696) 3.663 1.490 ( 1.851 -1.651 2.696) 3.663 1.978 ( -3.370 4.678 -3.780) 6.895 1.978 ( -3.370 4.678 3.780) 6.895 2.092 ( -1.277 -4.759 -1.635) 5.191 2.092 ( -1.277 -4.759 1.635) 5.191 2.449 ( 1.614 7.527 -2.409) 8.066 2.449 ( 1.614 7.527 2.409) 8.066 2.566 ( -0.026 -3.474 -4.451) 5.646 2.566 ( -0.026 -3.474 4.451) 5.646 3.074 ( 2.184 3.161 -3.682) 5.322 3.074 ( 2.184 3.161 3.683) 5.322 3.251 ( 4.061 7.427 -1.562) 8.607 3.251 ( 4.061 7.427 1.562) 8.607 3.335 ( 1.921 -1.987 -3.839) 4.730 3.335 ( 1.921 -1.987 3.839) 4.730 3.593 ( 2.534 4.666 -5.897) 7.935 3.593 ( 2.534 4.666 5.897) 7.935 3.747 ( 1.011 2.709 -3.647) 4.654 3.747 ( 1.011 2.709 3.647) 4.654 3.972 ( -2.653 11.091 -4.689) 12.330 3.972 ( -2.653 11.091 4.689) 12.330 4.315 ( -3.233 -1.145 -7.466) 8.216 4.315 ( -3.233 -1.145 7.466) 8.216 4.420 ( -1.561 5.042 -3.234) 6.190 4.420 ( -1.561 5.042 3.234) 6.190 4.802 ( -1.093 -16.176 -2.852) 16.461 4.802 ( -1.093 -16.176 2.852) 16.461 4.962 ( 1.966 -2.551 -2.740) 4.229 4.962 ( 1.966 -2.551 2.740) 4.229 6.118 ( 3.936 2.809 -2.372) 5.386 6.118 ( 3.936 2.809 2.372) 5.386 6.431 ( -0.348 0.761 -0.418) 0.936 6.431 ( -0.348 0.761 0.418) 0.936 6.688 ( 0.936 -2.604 -0.439) 2.802 6.688 ( 0.936 -2.604 0.439) 2.802 7.005 ( -2.902 -2.642 -0.479) 3.953 7.005 ( -2.902 -2.642 0.479) 3.953 7.126 ( -0.342 -1.006 -1.814) 2.103 7.126 ( -0.342 -1.006 1.814) 2.103 7.185 ( -1.195 -1.539 -0.730) 2.081 7.185 ( -1.195 -1.539 0.730) 2.081 8.617 ( 3.049 -0.218 -1.430) 3.375 8.617 ( 3.049 -0.218 1.430) 3.375 9.139 ( -2.475 -0.100 -1.346) 2.819 9.139 ( -2.475 -0.100 1.346) 2.819 10.323 ( -0.344 5.197 -2.005) 5.581 10.323 ( -0.344 5.197 2.005) 5.581 10.497 ( -0.617 -0.760 -1.139) 1.502 10.497 ( -0.617 -0.760 1.139) 1.502 12.349 ( 5.452 -0.634 -1.317) 5.644 12.349 ( 5.452 -0.634 1.317) 5.644 12.817 ( -1.106 -0.033 -0.226) 1.130 12.817 ( -1.106 -0.033 0.226) 1.130 14.839 ( 2.407 -1.103 -1.694) 3.143 14.839 ( 2.407 -1.103 1.694) 3.143 15.256 ( -1.623 -2.324 -1.156) 3.061 15.256 ( -1.623 -2.324 1.156) 3.061 20.508 ( 2.179 12.139 -6.470) 13.927 20.508 ( 2.179 12.139 6.470) 13.927 21.458 ( -8.232 4.086 -3.500) 9.834 21.458 ( -8.232 4.086 3.500) 9.834 22.599 ( 5.491 0.747 -3.313) 6.457 22.599 ( 5.491 0.747 3.313) 6.457 23.420 ( -3.172 -6.115 -6.414) 9.413 23.420 ( -3.172 -6.115 6.414) 9.413 25.367 ( 1.478 -2.162 -1.552) 3.044 25.367 ( 1.478 -2.162 1.552) 3.044 25.938 ( -5.395 -1.273 -1.204) 5.672 25.938 ( -5.395 -1.273 1.204) 5.672 ======================= Grid point 193 (63/64) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 12.756 3.513 -4.232) 13.891 1.106 ( 12.756 3.513 4.232) 13.891 1.542 ( 2.862 -4.051 -0.671) 5.005 1.542 ( 2.862 -4.051 0.671) 5.005 1.876 ( -6.084 5.267 -2.791) 8.518 1.876 ( -6.084 5.267 2.791) 8.518 2.027 ( -5.069 -5.638 -1.829) 7.799 2.027 ( -5.069 -5.638 1.829) 7.799 2.505 ( 3.597 5.475 -2.953) 7.185 2.505 ( 3.597 5.475 2.953) 7.185 2.581 ( 1.351 -1.218 -1.971) 2.682 2.581 ( 1.351 -1.218 1.971) 2.682 3.141 ( 4.545 3.226 -1.059) 5.673 3.141 ( 4.545 3.226 1.059) 5.673 3.306 ( 1.121 1.912 -1.416) 2.630 3.306 ( 1.121 1.912 1.416) 2.630 3.450 ( 7.954 1.508 -2.739) 8.546 3.450 ( 7.954 1.508 2.739) 8.546 3.650 ( 3.576 10.595 -5.134) 12.305 3.650 ( 3.576 10.595 5.135) 12.305 3.746 ( -2.024 -0.786 -2.997) 3.701 3.746 ( -2.024 -0.786 2.997) 3.701 3.914 ( -1.703 14.664 -5.395) 15.717 3.914 ( -1.703 14.664 5.395) 15.717 4.283 ( -0.649 -7.166 -4.266) 8.365 4.283 ( -0.649 -7.166 4.266) 8.365 4.337 ( -5.758 2.818 -3.684) 7.394 4.337 ( -5.758 2.818 3.684) 7.394 4.789 ( 0.171 -13.689 -2.149) 13.857 4.789 ( 0.171 -13.689 2.149) 13.857 4.978 ( -1.129 -1.537 -2.619) 3.239 4.978 ( -1.129 -1.537 2.619) 3.239 6.220 ( 5.582 3.749 -1.843) 6.972 6.220 ( 5.582 3.749 1.843) 6.972 6.426 ( -0.055 -0.132 -1.191) 1.199 6.426 ( -0.055 -0.132 1.191) 1.199 6.716 ( 1.933 -2.250 -0.373) 2.990 6.716 ( 1.933 -2.250 0.373) 2.990 6.932 ( -4.114 -2.211 -0.440) 4.691 6.932 ( -4.114 -2.211 0.440) 4.691 7.114 ( -0.738 -0.675 -2.341) 2.546 7.114 ( -0.738 -0.675 2.341) 2.546 7.152 ( -1.790 -1.974 -1.257) 2.946 7.152 ( -1.790 -1.974 1.257) 2.946 8.704 ( 5.390 0.051 -1.355) 5.557 8.704 ( 5.390 0.051 1.355) 5.557 9.066 ( -4.613 -0.089 -1.323) 4.800 9.066 ( -4.613 -0.089 1.323) 4.800 10.317 ( -0.156 7.159 -1.432) 7.302 10.317 ( -0.156 7.159 1.432) 7.302 10.481 ( -0.888 -2.601 -1.369) 3.071 10.481 ( -0.888 -2.601 1.369) 3.071 12.483 ( 7.166 -0.792 -1.506) 7.365 12.483 ( 7.166 -0.792 1.506) 7.365 12.782 ( -2.351 -0.282 -0.406) 2.402 12.782 ( -2.351 -0.282 0.406) 2.402 14.908 ( 4.194 -0.665 -1.955) 4.675 14.908 ( 4.194 -0.665 1.955) 4.675 15.208 ( -3.106 -3.048 -1.605) 4.638 15.208 ( -3.106 -3.048 1.605) 4.638 20.571 ( 3.853 15.727 -5.896) 17.232 20.571 ( 3.853 15.727 5.896) 17.232 21.264 ( -9.981 -2.300 -4.556) 11.210 21.264 ( -9.981 -2.300 4.556) 11.210 22.723 ( 6.127 8.362 -3.963) 11.099 22.723 ( 6.127 8.362 3.963) 11.099 23.337 ( -4.625 -10.108 -5.895) 12.582 23.337 ( -4.625 -10.108 5.895) 12.582 25.415 ( 3.413 -1.944 -1.336) 4.149 25.415 ( 3.413 -1.944 1.336) 4.149 25.799 ( -7.877 -0.954 -0.793) 7.974 25.799 ( -7.877 -0.954 0.793) 7.974 ======================= Grid point 195 (64/64) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 8.798 7.786 -3.031) 12.133 1.330 ( 8.798 7.786 3.031) 12.133 1.551 ( -3.275 -2.316 -2.481) 4.716 1.551 ( -3.275 -2.316 2.481) 4.716 1.802 ( 0.567 0.180 -1.086) 1.238 1.802 ( 0.567 0.180 1.086) 1.238 1.911 ( -5.524 -5.993 -1.471) 8.282 1.911 ( -5.524 -5.993 1.471) 8.282 2.572 ( 2.580 3.458 -2.010) 4.759 2.572 ( 2.580 3.458 2.010) 4.759 2.600 ( 0.072 1.375 -1.181) 1.814 2.600 ( 0.072 1.375 1.181) 1.814 3.241 ( 4.366 1.750 -0.458) 4.725 3.241 ( 4.366 1.750 0.458) 4.725 3.310 ( -0.752 -0.134 -0.436) 0.880 3.310 ( -0.752 -0.134 0.436) 0.880 3.565 ( 3.328 5.334 -3.441) 7.167 3.565 ( 3.328 5.334 3.441) 7.167 3.661 ( -4.196 2.503 -1.844) 5.222 3.661 ( -4.196 2.503 1.844) 5.222 3.750 ( 3.584 17.777 -3.805) 18.530 3.750 ( 3.584 17.777 3.805) 18.530 3.943 ( 4.367 5.968 -7.285) 10.381 3.943 ( 4.367 5.968 7.285) 10.381 4.168 ( -7.614 0.182 -4.877) 9.044 4.168 ( -7.614 0.182 4.877) 9.044 4.312 ( 0.784 -10.939 -2.429) 11.233 4.312 ( 0.784 -10.939 2.429) 11.233 4.822 ( 3.192 -8.772 -1.649) 9.480 4.822 ( 3.192 -8.772 1.649) 9.480 4.914 ( -4.534 -3.034 -1.802) 5.745 4.914 ( -4.534 -3.034 1.802) 5.745 6.314 ( 3.010 5.989 -1.063) 6.786 6.314 ( 3.010 5.989 1.063) 6.786 6.427 ( 0.022 -2.088 -1.248) 2.433 6.427 ( 0.022 -2.088 1.248) 2.433 6.768 ( 3.180 -1.965 -0.243) 3.746 6.768 ( 3.180 -1.965 0.243) 3.746 6.846 ( -4.240 -2.043 -0.187) 4.710 6.846 ( -4.240 -2.043 0.187) 4.710 7.100 ( -0.497 -0.553 -1.335) 1.528 7.100 ( -0.497 -0.553 1.335) 1.528 7.124 ( -0.806 -2.146 -0.825) 2.436 7.124 ( -0.806 -2.146 0.825) 2.436 8.825 ( 6.235 0.473 -1.275) 6.382 8.825 ( 6.235 0.473 1.275) 6.382 8.958 ( -5.876 -0.312 -1.273) 6.020 8.958 ( -5.876 -0.312 1.273) 6.020 10.316 ( 0.019 8.847 -0.548) 8.864 10.316 ( 0.019 8.847 0.548) 8.864 10.466 ( -0.441 -4.259 -0.612) 4.325 10.466 ( -0.441 -4.259 0.612) 4.325 12.617 ( 5.748 -0.417 -1.234) 5.894 12.617 ( 5.748 -0.417 1.234) 5.894 12.720 ( -3.797 -0.817 -0.758) 3.957 12.720 ( -3.797 -0.817 0.758) 3.957 14.995 ( 3.776 1.348 -1.627) 4.327 14.995 ( 3.776 1.348 1.627) 4.327 15.139 ( -3.252 -5.291 -1.499) 6.389 15.139 ( -3.252 -5.291 1.499) 6.389 20.647 ( 2.828 22.695 -3.148) 23.086 20.647 ( 2.828 22.695 3.148) 23.086 21.098 ( -5.244 -10.670 -2.785) 12.211 21.098 ( -5.244 -10.670 2.785) 12.211 22.822 ( 2.972 16.958 -2.208) 17.358 22.822 ( 2.972 16.958 2.208) 17.358 23.257 ( -2.602 -16.734 -2.900) 17.181 23.257 ( -2.602 -16.734 2.900) 17.181 25.507 ( 5.632 -1.501 -1.029) 5.919 25.507 ( 5.632 -1.501 1.029) 5.919 25.640 ( -7.480 -1.072 -0.758) 7.595 25.640 ( -7.480 -1.072 0.758) 7.595 =================== 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 3/21168 10.0 51.625 52.611 37.515 0.000 0.000 -0.000 3/21168 20.0 17.608 37.096 12.164 0.000 0.000 -0.000 3/21168 30.0 9.104 24.314 6.463 0.000 0.000 -0.000 3/21168 40.0 5.931 17.243 4.369 0.000 0.000 0.000 3/21168 50.0 4.378 13.274 3.338 0.000 0.000 0.000 3/21168 60.0 3.475 10.796 2.724 0.000 0.000 0.000 3/21168 70.0 2.887 9.109 2.313 0.000 0.000 0.000 3/21168 80.0 2.475 7.886 2.017 0.000 0.000 0.000 3/21168 90.0 2.170 6.959 1.792 0.000 0.000 0.000 3/21168 100.0 1.936 6.233 1.614 0.000 0.000 0.000 3/21168 110.0 1.751 5.649 1.471 0.000 0.000 0.000 3/21168 120.0 1.600 5.170 1.353 0.000 0.000 0.000 3/21168 130.0 1.476 4.771 1.254 0.000 0.000 0.000 3/21168 140.0 1.371 4.433 1.170 0.000 0.000 0.000 3/21168 150.0 1.282 4.145 1.097 0.000 0.000 0.000 3/21168 160.0 1.205 3.895 1.034 0.000 0.000 0.000 3/21168 170.0 1.138 3.678 0.979 0.000 0.000 0.000 3/21168 180.0 1.078 3.486 0.930 0.000 0.000 0.000 3/21168 190.0 1.026 3.316 0.887 0.000 0.000 0.000 3/21168 200.0 0.979 3.164 0.848 0.000 0.000 0.000 3/21168 210.0 0.936 3.026 0.813 0.000 0.000 0.000 3/21168 220.0 0.898 2.902 0.781 0.000 0.000 0.000 3/21168 230.0 0.863 2.789 0.752 0.000 0.000 0.000 3/21168 240.0 0.831 2.685 0.725 0.000 0.000 0.000 3/21168 250.0 0.801 2.590 0.701 0.000 0.000 0.000 3/21168 260.0 0.773 2.502 0.678 0.000 0.000 0.000 3/21168 270.0 0.748 2.420 0.657 0.000 0.000 0.000 3/21168 280.0 0.724 2.343 0.637 0.000 0.000 0.000 3/21168 290.0 0.702 2.272 0.618 0.000 0.000 0.000 3/21168 300.0 0.681 2.205 0.601 0.000 0.000 0.000 3/21168 310.0 0.662 2.143 0.584 0.000 0.000 0.000 3/21168 320.0 0.644 2.083 0.569 0.000 0.000 0.000 3/21168 330.0 0.626 2.028 0.554 0.000 0.000 0.000 3/21168 340.0 0.610 1.975 0.541 0.000 0.000 0.000 3/21168 350.0 0.594 1.925 0.527 0.000 0.000 0.000 3/21168 360.0 0.580 1.877 0.515 0.000 0.000 0.000 3/21168 370.0 0.566 1.832 0.503 0.000 0.000 0.000 3/21168 380.0 0.552 1.789 0.492 0.000 0.000 0.000 3/21168 390.0 0.539 1.748 0.481 0.000 0.000 0.000 3/21168 400.0 0.527 1.708 0.471 0.000 0.000 0.000 3/21168 410.0 0.516 1.671 0.461 0.000 0.000 0.000 3/21168 420.0 0.505 1.635 0.451 0.000 0.000 0.000 3/21168 430.0 0.494 1.601 0.442 0.000 0.000 0.000 3/21168 440.0 0.484 1.568 0.433 0.000 0.000 0.000 3/21168 450.0 0.474 1.536 0.425 0.000 0.000 0.000 3/21168 460.0 0.465 1.506 0.417 0.000 0.000 0.000 3/21168 470.0 0.455 1.476 0.409 0.000 0.000 0.000 3/21168 480.0 0.447 1.448 0.401 0.000 0.000 0.000 3/21168 490.0 0.438 1.421 0.394 0.000 0.000 0.000 3/21168 500.0 0.430 1.395 0.387 0.000 0.000 0.000 3/21168 510.0 0.423 1.370 0.380 0.000 0.000 0.000 3/21168 520.0 0.415 1.346 0.374 0.000 0.000 0.000 3/21168 530.0 0.408 1.322 0.367 0.000 0.000 0.000 3/21168 540.0 0.401 1.299 0.361 0.000 0.000 0.000 3/21168 550.0 0.394 1.278 0.355 0.000 0.000 0.000 3/21168 560.0 0.387 1.256 0.350 0.000 0.000 0.000 3/21168 570.0 0.381 1.236 0.344 0.000 0.000 0.000 3/21168 580.0 0.375 1.216 0.339 0.000 0.000 0.000 3/21168 590.0 0.369 1.197 0.333 0.000 0.000 0.000 3/21168 600.0 0.363 1.178 0.328 0.000 0.000 0.000 3/21168 610.0 0.358 1.160 0.323 0.000 0.000 0.000 3/21168 620.0 0.352 1.142 0.319 0.000 0.000 0.000 3/21168 630.0 0.347 1.125 0.314 0.000 0.000 0.000 3/21168 640.0 0.342 1.109 0.310 0.000 0.000 0.000 3/21168 650.0 0.337 1.093 0.305 0.000 0.000 0.000 3/21168 660.0 0.332 1.077 0.301 0.000 0.000 0.000 3/21168 670.0 0.327 1.062 0.297 0.000 0.000 0.000 3/21168 680.0 0.323 1.047 0.293 0.000 0.000 0.000 3/21168 690.0 0.318 1.033 0.289 0.000 0.000 0.000 3/21168 700.0 0.314 1.019 0.285 0.000 0.000 0.000 3/21168 710.0 0.310 1.005 0.281 0.000 0.000 0.000 3/21168 720.0 0.306 0.992 0.278 0.000 0.000 0.000 3/21168 730.0 0.302 0.979 0.274 0.000 0.000 0.000 3/21168 740.0 0.298 0.966 0.271 0.000 0.000 0.000 3/21168 750.0 0.294 0.954 0.267 0.000 0.000 0.000 3/21168 760.0 0.290 0.942 0.264 0.000 0.000 0.000 3/21168 770.0 0.287 0.930 0.261 0.000 0.000 0.000 3/21168 780.0 0.283 0.919 0.258 0.000 0.000 0.000 3/21168 790.0 0.280 0.908 0.254 0.000 0.000 0.000 3/21168 800.0 0.276 0.897 0.251 0.000 0.000 0.000 3/21168 810.0 0.273 0.886 0.249 0.000 0.000 0.000 3/21168 820.0 0.270 0.876 0.246 0.000 0.000 0.000 3/21168 830.0 0.267 0.865 0.243 0.000 0.000 0.000 3/21168 840.0 0.264 0.856 0.240 0.000 0.000 0.000 3/21168 850.0 0.261 0.846 0.237 0.000 0.000 0.000 3/21168 860.0 0.258 0.836 0.235 0.000 0.000 0.000 3/21168 870.0 0.255 0.827 0.232 0.000 0.000 0.000 3/21168 880.0 0.252 0.818 0.230 0.000 0.000 0.000 3/21168 890.0 0.250 0.809 0.227 0.000 0.000 0.000 3/21168 900.0 0.247 0.800 0.225 0.000 0.000 0.000 3/21168 910.0 0.244 0.792 0.223 0.000 0.000 0.000 3/21168 920.0 0.242 0.784 0.220 0.000 0.000 0.000 3/21168 930.0 0.239 0.775 0.218 0.000 0.000 0.000 3/21168 940.0 0.237 0.767 0.216 0.000 0.000 0.000 3/21168 950.0 0.234 0.760 0.214 0.000 0.000 0.000 3/21168 960.0 0.232 0.752 0.211 0.000 0.000 0.000 3/21168 970.0 0.230 0.744 0.209 0.000 0.000 0.000 3/21168 980.0 0.227 0.737 0.207 0.000 0.000 0.000 3/21168 990.0 0.225 0.730 0.205 0.000 0.000 0.000 3/21168 1000.0 0.223 0.723 0.203 0.000 0.000 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:18:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|