----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:21:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.030564200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.933942660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.553133990000000 Atomic positions (fractional): *1 O 0.91760951031366 0.52551924573672 0.81144320791356 15.999 2 O 0.08239048968634 0.02551924573672 0.18855679208644 15.999 3 O 0.58239048968634 0.47448075426328 0.31144320791356 15.999 4 O 0.41760951031366 0.97448075426328 0.68855679208644 15.999 5 O 0.08239048968634 0.47448075426328 0.18855679208644 15.999 6 O 0.91760951031366 0.97448075426328 0.81144320791356 15.999 7 O 0.41760951031366 0.52551924573672 0.68855679208644 15.999 8 O 0.58239048968634 0.02551924573672 0.31144320791356 15.999 *9 O 0.71083990751872 0.25000000000000 0.04533696385347 15.999 10 O 0.28916009248128 0.75000000000000 0.95466303614653 15.999 11 O 0.78916009248128 0.75000000000000 0.54533696385347 15.999 12 O 0.21083990751872 0.25000000000000 0.45466303614653 15.999 *13 O 0.41361262671905 0.25000000000000 0.07863780650126 15.999 14 O 0.58638737328095 0.75000000000000 0.92136219349874 15.999 15 O 0.08638737328095 0.75000000000000 0.57863780650126 15.999 16 O 0.91361262671905 0.25000000000000 0.42136219349874 15.999 *17 K 0.67723801338010 0.25000000000000 0.66196152439626 39.098 18 K 0.32276198661990 0.75000000000000 0.33803847560374 39.098 19 K 0.82276198661990 0.75000000000000 0.16196152439626 39.098 20 K 0.17723801338010 0.25000000000000 0.83803847560374 39.098 *21 Br 0.57149609944352 0.25000000000000 0.18433672781584 79.904 22 Br 0.42850390055648 0.75000000000000 0.81566327218416 79.904 23 Br 0.92850390055648 0.75000000000000 0.68433672781584 79.904 24 Br 0.07149609944352 0.25000000000000 0.31566327218416 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.030564200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.933942660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.553133990000000 Atomic positions (fractional): *1 O 0.91760951031366 0.52551924573672 0.81144320791356 15.999 > 1 2 O 0.08239048968634 0.02551924573672 0.18855679208644 15.999 > 2 3 O 0.58239048968634 0.47448075426328 0.31144320791356 15.999 > 3 4 O 0.41760951031366 0.97448075426328 0.68855679208644 15.999 > 4 5 O 0.08239048968634 0.47448075426328 0.18855679208644 15.999 > 5 6 O 0.91760951031366 0.97448075426328 0.81144320791356 15.999 > 6 7 O 0.41760951031366 0.52551924573672 0.68855679208644 15.999 > 7 8 O 0.58239048968634 0.02551924573672 0.31144320791356 15.999 > 8 *9 O 0.71083990751872 0.25000000000000 0.04533696385347 15.999 > 9 10 O 0.28916009248128 0.75000000000000 0.95466303614653 15.999 > 10 11 O 0.78916009248128 0.75000000000000 0.54533696385347 15.999 > 11 12 O 0.21083990751872 0.25000000000000 0.45466303614653 15.999 > 12 *13 O 0.41361262671905 0.25000000000000 0.07863780650126 15.999 > 13 14 O 0.58638737328095 0.75000000000000 0.92136219349874 15.999 > 14 15 O 0.08638737328095 0.75000000000000 0.57863780650126 15.999 > 15 16 O 0.91361262671905 0.25000000000000 0.42136219349874 15.999 > 16 *17 K 0.67723801338010 0.25000000000000 0.66196152439626 39.098 > 17 18 K 0.32276198661990 0.75000000000000 0.33803847560374 39.098 > 18 19 K 0.82276198661990 0.75000000000000 0.16196152439626 39.098 > 19 20 K 0.17723801338010 0.25000000000000 0.83803847560374 39.098 > 20 *21 Br 0.57149609944352 0.25000000000000 0.18433672781584 79.904 > 21 22 Br 0.42850390055648 0.75000000000000 0.81566327218416 79.904 > 22 23 Br 0.92850390055648 0.75000000000000 0.68433672781584 79.904 > 23 24 Br 0.07149609944352 0.25000000000000 0.31566327218416 79.904 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.030564200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.867885319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.106267980000000 Atomic positions (fractional): *1 O 0.91760951031366 0.26275962286836 0.40572160395678 15.999 > 1 2 O 0.91760951031366 0.76275962286836 0.40572160395678 15.999 > 1 3 O 0.91760951031366 0.26275962286836 0.90572160395678 15.999 > 1 4 O 0.91760951031366 0.76275962286836 0.90572160395678 15.999 > 1 5 O 0.08239048968634 0.01275962286836 0.09427839604322 15.999 > 2 6 O 0.08239048968634 0.51275962286836 0.09427839604322 15.999 > 2 7 O 0.08239048968634 0.01275962286836 0.59427839604322 15.999 > 2 8 O 0.08239048968634 0.51275962286836 0.59427839604322 15.999 > 2 9 O 0.58239048968634 0.23724037713164 0.15572160395678 15.999 > 3 10 O 0.58239048968634 0.73724037713164 0.15572160395678 15.999 > 3 11 O 0.58239048968634 0.23724037713164 0.65572160395678 15.999 > 3 12 O 0.58239048968634 0.73724037713164 0.65572160395678 15.999 > 3 13 O 0.41760951031366 0.48724037713164 0.34427839604322 15.999 > 4 14 O 0.41760951031366 0.98724037713164 0.34427839604322 15.999 > 4 15 O 0.41760951031366 0.48724037713164 0.84427839604322 15.999 > 4 16 O 0.41760951031366 0.98724037713164 0.84427839604322 15.999 > 4 17 O 0.08239048968634 0.23724037713164 0.09427839604322 15.999 > 5 18 O 0.08239048968634 0.73724037713164 0.09427839604322 15.999 > 5 19 O 0.08239048968634 0.23724037713164 0.59427839604322 15.999 > 5 20 O 0.08239048968634 0.73724037713164 0.59427839604322 15.999 > 5 21 O 0.91760951031366 0.48724037713164 0.40572160395678 15.999 > 6 22 O 0.91760951031366 0.98724037713164 0.40572160395678 15.999 > 6 23 O 0.91760951031366 0.48724037713164 0.90572160395678 15.999 > 6 24 O 0.91760951031366 0.98724037713164 0.90572160395678 15.999 > 6 25 O 0.41760951031366 0.26275962286836 0.34427839604322 15.999 > 7 26 O 0.41760951031366 0.76275962286836 0.34427839604322 15.999 > 7 27 O 0.41760951031366 0.26275962286836 0.84427839604322 15.999 > 7 28 O 0.41760951031366 0.76275962286836 0.84427839604322 15.999 > 7 29 O 0.58239048968634 0.01275962286836 0.15572160395678 15.999 > 8 30 O 0.58239048968634 0.51275962286836 0.15572160395678 15.999 > 8 31 O 0.58239048968634 0.01275962286836 0.65572160395678 15.999 > 8 32 O 0.58239048968634 0.51275962286836 0.65572160395678 15.999 > 8 *33 O 0.71083990751872 0.12500000000000 0.02266848192673 15.999 > 9 34 O 0.71083990751872 0.62500000000000 0.02266848192673 15.999 > 9 35 O 0.71083990751872 0.12500000000000 0.52266848192673 15.999 > 9 36 O 0.71083990751872 0.62500000000000 0.52266848192673 15.999 > 9 37 O 0.28916009248128 0.37500000000000 0.47733151807327 15.999 > 10 38 O 0.28916009248128 0.87500000000000 0.47733151807327 15.999 > 10 39 O 0.28916009248128 0.37500000000000 0.97733151807327 15.999 > 10 40 O 0.28916009248128 0.87500000000000 0.97733151807327 15.999 > 10 41 O 0.78916009248128 0.37500000000000 0.27266848192673 15.999 > 11 42 O 0.78916009248128 0.87500000000000 0.27266848192673 15.999 > 11 43 O 0.78916009248128 0.37500000000000 0.77266848192673 15.999 > 11 44 O 0.78916009248128 0.87500000000000 0.77266848192673 15.999 > 11 45 O 0.21083990751872 0.12500000000000 0.22733151807327 15.999 > 12 46 O 0.21083990751872 0.62500000000000 0.22733151807327 15.999 > 12 47 O 0.21083990751872 0.12500000000000 0.72733151807327 15.999 > 12 48 O 0.21083990751872 0.62500000000000 0.72733151807327 15.999 > 12 *49 O 0.41361262671905 0.12500000000000 0.03931890325063 15.999 > 13 50 O 0.41361262671905 0.62500000000000 0.03931890325063 15.999 > 13 51 O 0.41361262671905 0.12500000000000 0.53931890325063 15.999 > 13 52 O 0.41361262671905 0.62500000000000 0.53931890325063 15.999 > 13 53 O 0.58638737328095 0.37500000000000 0.46068109674937 15.999 > 14 54 O 0.58638737328095 0.87500000000000 0.46068109674937 15.999 > 14 55 O 0.58638737328095 0.37500000000000 0.96068109674937 15.999 > 14 56 O 0.58638737328095 0.87500000000000 0.96068109674937 15.999 > 14 57 O 0.08638737328095 0.37500000000000 0.28931890325063 15.999 > 15 58 O 0.08638737328095 0.87500000000000 0.28931890325063 15.999 > 15 59 O 0.08638737328095 0.37500000000000 0.78931890325063 15.999 > 15 60 O 0.08638737328095 0.87500000000000 0.78931890325063 15.999 > 15 61 O 0.91361262671905 0.12500000000000 0.21068109674937 15.999 > 16 62 O 0.91361262671905 0.62500000000000 0.21068109674937 15.999 > 16 63 O 0.91361262671905 0.12500000000000 0.71068109674937 15.999 > 16 64 O 0.91361262671905 0.62500000000000 0.71068109674937 15.999 > 16 *65 K 0.67723801338010 0.12500000000000 0.33098076219813 39.098 > 17 66 K 0.67723801338010 0.62500000000000 0.33098076219813 39.098 > 17 67 K 0.67723801338010 0.12500000000000 0.83098076219813 39.098 > 17 68 K 0.67723801338010 0.62500000000000 0.83098076219813 39.098 > 17 69 K 0.32276198661990 0.37500000000000 0.16901923780187 39.098 > 18 70 K 0.32276198661990 0.87500000000000 0.16901923780187 39.098 > 18 71 K 0.32276198661990 0.37500000000000 0.66901923780187 39.098 > 18 72 K 0.32276198661990 0.87500000000000 0.66901923780187 39.098 > 18 73 K 0.82276198661990 0.37500000000000 0.08098076219813 39.098 > 19 74 K 0.82276198661990 0.87500000000000 0.08098076219813 39.098 > 19 75 K 0.82276198661990 0.37500000000000 0.58098076219813 39.098 > 19 76 K 0.82276198661990 0.87500000000000 0.58098076219813 39.098 > 19 77 K 0.17723801338010 0.12500000000000 0.41901923780187 39.098 > 20 78 K 0.17723801338010 0.62500000000000 0.41901923780187 39.098 > 20 79 K 0.17723801338010 0.12500000000000 0.91901923780187 39.098 > 20 80 K 0.17723801338010 0.62500000000000 0.91901923780187 39.098 > 20 *81 Br 0.57149609944352 0.12500000000000 0.09216836390792 79.904 > 21 82 Br 0.57149609944352 0.62500000000000 0.09216836390792 79.904 > 21 83 Br 0.57149609944352 0.12500000000000 0.59216836390792 79.904 > 21 84 Br 0.57149609944352 0.62500000000000 0.59216836390792 79.904 > 21 85 Br 0.42850390055648 0.37500000000000 0.40783163609208 79.904 > 22 86 Br 0.42850390055648 0.87500000000000 0.40783163609208 79.904 > 22 87 Br 0.42850390055648 0.37500000000000 0.90783163609208 79.904 > 22 88 Br 0.42850390055648 0.87500000000000 0.90783163609208 79.904 > 22 89 Br 0.92850390055648 0.37500000000000 0.34216836390792 79.904 > 23 90 Br 0.92850390055648 0.87500000000000 0.34216836390792 79.904 > 23 91 Br 0.92850390055648 0.37500000000000 0.84216836390792 79.904 > 23 92 Br 0.92850390055648 0.87500000000000 0.84216836390792 79.904 > 23 93 Br 0.07149609944352 0.12500000000000 0.15783163609208 79.904 > 24 94 Br 0.07149609944352 0.62500000000000 0.15783163609208 79.904 > 24 95 Br 0.07149609944352 0.12500000000000 0.65783163609208 79.904 > 24 96 Br 0.07149609944352 0.62500000000000 0.65783163609208 79.904 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4856257 0.0000000 0.0000000 0.0000000 2.5013028 0.0000000 0.0000000 0.0000000 2.4867497 -------------------------- Born effective charges -------------------------- 1 O -0.7801539 -0.0086345 0.0664833 -0.0053129 -1.3686285 0.4141174 -0.0057033 0.3795892 -1.0329070 2 O -0.7801539 0.0086345 0.0664833 0.0053129 -1.3686285 -0.4141174 -0.0057033 -0.3795892 -1.0329070 3 O -0.7801539 -0.0086345 -0.0664833 -0.0053129 -1.3686285 -0.4141174 0.0057033 -0.3795892 -1.0329070 4 O -0.7801539 0.0086345 -0.0664833 0.0053129 -1.3686285 0.4141174 0.0057033 0.3795892 -1.0329070 5 O -0.7801539 -0.0086345 0.0664833 -0.0053129 -1.3686285 0.4141174 -0.0057033 0.3795892 -1.0329070 6 O -0.7801539 0.0086345 0.0664833 0.0053129 -1.3686285 -0.4141174 -0.0057033 -0.3795892 -1.0329070 7 O -0.7801539 -0.0086345 -0.0664833 -0.0053129 -1.3686285 -0.4141174 0.0057033 -0.3795892 -1.0329070 8 O -0.7801539 0.0086345 -0.0664833 0.0053129 -1.3686285 0.4141174 0.0057033 0.3795892 -1.0329070 9 O -1.1422399 0.0000000 0.3124009 0.0000000 -0.7486929 0.0000000 0.4266149 0.0000000 -1.1187451 10 O -1.1422399 0.0000000 0.3124009 0.0000000 -0.7486929 0.0000000 0.4266149 0.0000000 -1.1187451 11 O -1.1422399 0.0000000 -0.3124009 0.0000000 -0.7486929 0.0000000 -0.4266149 0.0000000 -1.1187451 12 O -1.1422399 0.0000000 -0.3124009 0.0000000 -0.7486929 0.0000000 -0.4266149 0.0000000 -1.1187451 13 O -1.4130896 0.0000000 -0.4365991 0.0000000 -0.7305821 0.0000000 -0.4104316 0.0000000 -0.9275593 14 O -1.4130896 0.0000000 -0.4365991 0.0000000 -0.7305821 0.0000000 -0.4104316 0.0000000 -0.9275593 15 O -1.4130896 0.0000000 0.4365991 0.0000000 -0.7305821 0.0000000 0.4104316 0.0000000 -0.9275593 16 O -1.4130896 0.0000000 0.4365991 0.0000000 -0.7305821 0.0000000 0.4104316 0.0000000 -0.9275593 17 K 1.2912123 0.0000000 -0.1668071 0.0000000 1.2666195 0.0000000 -0.1611975 0.0000000 1.2815352 18 K 1.2912123 0.0000000 -0.1668071 0.0000000 1.2666195 0.0000000 -0.1611975 0.0000000 1.2815352 19 K 1.2912123 0.0000000 0.1668071 0.0000000 1.2666195 0.0000000 0.1611975 0.0000000 1.2815352 20 K 1.2912123 0.0000000 0.1668071 0.0000000 1.2666195 0.0000000 0.1611975 0.0000000 1.2815352 21 Br 2.8244249 0.0000000 0.2063026 0.0000000 2.9499126 0.0000000 -0.0229881 0.0000000 2.8305831 22 Br 2.8244249 0.0000000 0.2063026 0.0000000 2.9499126 0.0000000 -0.0229881 0.0000000 2.8305831 23 Br 2.8244249 0.0000000 -0.2063026 0.0000000 2.9499126 0.0000000 0.0229881 0.0000000 2.8305831 24 Br 2.8244249 0.0000000 -0.2063026 0.0000000 2.9499126 0.0000000 0.0229881 0.0000000 2.8305831 ---------------------------------------------------------------------------- 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: 1418 Number of blocks in projector: 1418 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: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.555 Solver_block: 200 / 400 - Time: 1.567 Solver_block: 300 / 400 - Time: 1.559 Solver_block: 400 / 400 - Time: 1.565 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.289 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 1418 Number of blocks in projector: 1418 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: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:21:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:21:25]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.030564200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.933942660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.553133990000000 Atomic positions (fractional): 1 O 0.91760951031366 0.52551924573672 0.81144320791356 15.999 2 O 0.08239048968634 0.02551924573672 0.18855679208644 15.999 3 O 0.58239048968634 0.47448075426328 0.31144320791356 15.999 4 O 0.41760951031366 0.97448075426328 0.68855679208644 15.999 5 O 0.08239048968634 0.47448075426328 0.18855679208644 15.999 6 O 0.91760951031366 0.97448075426328 0.81144320791356 15.999 7 O 0.41760951031366 0.52551924573672 0.68855679208644 15.999 8 O 0.58239048968634 0.02551924573672 0.31144320791356 15.999 9 O 0.71083990751872 0.25000000000000 0.04533696385347 15.999 10 O 0.28916009248128 0.75000000000000 0.95466303614653 15.999 11 O 0.78916009248128 0.75000000000000 0.54533696385347 15.999 12 O 0.21083990751872 0.25000000000000 0.45466303614653 15.999 13 O 0.41361262671905 0.25000000000000 0.07863780650126 15.999 14 O 0.58638737328095 0.75000000000000 0.92136219349874 15.999 15 O 0.08638737328095 0.75000000000000 0.57863780650126 15.999 16 O 0.91361262671905 0.25000000000000 0.42136219349874 15.999 17 K 0.67723801338010 0.25000000000000 0.66196152439626 39.098 18 K 0.32276198661990 0.75000000000000 0.33803847560374 39.098 19 K 0.82276198661990 0.75000000000000 0.16196152439626 39.098 20 K 0.17723801338010 0.25000000000000 0.83803847560374 39.098 21 Br 0.57149609944352 0.25000000000000 0.18433672781584 79.904 22 Br 0.42850390055648 0.75000000000000 0.81566327218416 79.904 23 Br 0.92850390055648 0.75000000000000 0.68433672781584 79.904 24 Br 0.07149609944352 0.25000000000000 0.31566327218416 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.030564200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.867885319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.106267980000000 Atomic positions (fractional): 1 O 0.91760951031366 0.26275962286836 0.40572160395678 15.999 > 1 2 O 0.91760951031366 0.76275962286836 0.40572160395678 15.999 > 1 3 O 0.91760951031366 0.26275962286836 0.90572160395678 15.999 > 1 4 O 0.91760951031366 0.76275962286836 0.90572160395678 15.999 > 1 5 O 0.08239048968634 0.01275962286836 0.09427839604322 15.999 > 5 6 O 0.08239048968634 0.51275962286836 0.09427839604322 15.999 > 5 7 O 0.08239048968634 0.01275962286836 0.59427839604322 15.999 > 5 8 O 0.08239048968634 0.51275962286836 0.59427839604322 15.999 > 5 9 O 0.58239048968634 0.23724037713164 0.15572160395678 15.999 > 9 10 O 0.58239048968634 0.73724037713164 0.15572160395678 15.999 > 9 11 O 0.58239048968634 0.23724037713164 0.65572160395678 15.999 > 9 12 O 0.58239048968634 0.73724037713164 0.65572160395678 15.999 > 9 13 O 0.41760951031366 0.48724037713164 0.34427839604322 15.999 > 13 14 O 0.41760951031366 0.98724037713164 0.34427839604322 15.999 > 13 15 O 0.41760951031366 0.48724037713164 0.84427839604322 15.999 > 13 16 O 0.41760951031366 0.98724037713164 0.84427839604322 15.999 > 13 17 O 0.08239048968634 0.23724037713164 0.09427839604322 15.999 > 17 18 O 0.08239048968634 0.73724037713164 0.09427839604322 15.999 > 17 19 O 0.08239048968634 0.23724037713164 0.59427839604322 15.999 > 17 20 O 0.08239048968634 0.73724037713164 0.59427839604322 15.999 > 17 21 O 0.91760951031366 0.48724037713164 0.40572160395678 15.999 > 21 22 O 0.91760951031366 0.98724037713164 0.40572160395678 15.999 > 21 23 O 0.91760951031366 0.48724037713164 0.90572160395678 15.999 > 21 24 O 0.91760951031366 0.98724037713164 0.90572160395678 15.999 > 21 25 O 0.41760951031366 0.26275962286836 0.34427839604322 15.999 > 25 26 O 0.41760951031366 0.76275962286836 0.34427839604322 15.999 > 25 27 O 0.41760951031366 0.26275962286836 0.84427839604322 15.999 > 25 28 O 0.41760951031366 0.76275962286836 0.84427839604322 15.999 > 25 29 O 0.58239048968634 0.01275962286836 0.15572160395678 15.999 > 29 30 O 0.58239048968634 0.51275962286836 0.15572160395678 15.999 > 29 31 O 0.58239048968634 0.01275962286836 0.65572160395678 15.999 > 29 32 O 0.58239048968634 0.51275962286836 0.65572160395678 15.999 > 29 33 O 0.71083990751872 0.12500000000000 0.02266848192673 15.999 > 33 34 O 0.71083990751872 0.62500000000000 0.02266848192673 15.999 > 33 35 O 0.71083990751872 0.12500000000000 0.52266848192673 15.999 > 33 36 O 0.71083990751872 0.62500000000000 0.52266848192673 15.999 > 33 37 O 0.28916009248128 0.37500000000000 0.47733151807327 15.999 > 37 38 O 0.28916009248128 0.87500000000000 0.47733151807327 15.999 > 37 39 O 0.28916009248128 0.37500000000000 0.97733151807327 15.999 > 37 40 O 0.28916009248128 0.87500000000000 0.97733151807327 15.999 > 37 41 O 0.78916009248128 0.37500000000000 0.27266848192673 15.999 > 41 42 O 0.78916009248128 0.87500000000000 0.27266848192673 15.999 > 41 43 O 0.78916009248128 0.37500000000000 0.77266848192673 15.999 > 41 44 O 0.78916009248128 0.87500000000000 0.77266848192673 15.999 > 41 45 O 0.21083990751872 0.12500000000000 0.22733151807327 15.999 > 45 46 O 0.21083990751872 0.62500000000000 0.22733151807327 15.999 > 45 47 O 0.21083990751872 0.12500000000000 0.72733151807327 15.999 > 45 48 O 0.21083990751872 0.62500000000000 0.72733151807327 15.999 > 45 49 O 0.41361262671905 0.12500000000000 0.03931890325063 15.999 > 49 50 O 0.41361262671905 0.62500000000000 0.03931890325063 15.999 > 49 51 O 0.41361262671905 0.12500000000000 0.53931890325063 15.999 > 49 52 O 0.41361262671905 0.62500000000000 0.53931890325063 15.999 > 49 53 O 0.58638737328095 0.37500000000000 0.46068109674937 15.999 > 53 54 O 0.58638737328095 0.87500000000000 0.46068109674937 15.999 > 53 55 O 0.58638737328095 0.37500000000000 0.96068109674937 15.999 > 53 56 O 0.58638737328095 0.87500000000000 0.96068109674937 15.999 > 53 57 O 0.08638737328095 0.37500000000000 0.28931890325063 15.999 > 57 58 O 0.08638737328095 0.87500000000000 0.28931890325063 15.999 > 57 59 O 0.08638737328095 0.37500000000000 0.78931890325063 15.999 > 57 60 O 0.08638737328095 0.87500000000000 0.78931890325063 15.999 > 57 61 O 0.91361262671905 0.12500000000000 0.21068109674937 15.999 > 61 62 O 0.91361262671905 0.62500000000000 0.21068109674937 15.999 > 61 63 O 0.91361262671905 0.12500000000000 0.71068109674937 15.999 > 61 64 O 0.91361262671905 0.62500000000000 0.71068109674937 15.999 > 61 65 K 0.67723801338010 0.12500000000000 0.33098076219813 39.098 > 65 66 K 0.67723801338010 0.62500000000000 0.33098076219813 39.098 > 65 67 K 0.67723801338010 0.12500000000000 0.83098076219813 39.098 > 65 68 K 0.67723801338010 0.62500000000000 0.83098076219813 39.098 > 65 69 K 0.32276198661990 0.37500000000000 0.16901923780187 39.098 > 69 70 K 0.32276198661990 0.87500000000000 0.16901923780187 39.098 > 69 71 K 0.32276198661990 0.37500000000000 0.66901923780187 39.098 > 69 72 K 0.32276198661990 0.87500000000000 0.66901923780187 39.098 > 69 73 K 0.82276198661990 0.37500000000000 0.08098076219813 39.098 > 73 74 K 0.82276198661990 0.87500000000000 0.08098076219813 39.098 > 73 75 K 0.82276198661990 0.37500000000000 0.58098076219813 39.098 > 73 76 K 0.82276198661990 0.87500000000000 0.58098076219813 39.098 > 73 77 K 0.17723801338010 0.12500000000000 0.41901923780187 39.098 > 77 78 K 0.17723801338010 0.62500000000000 0.41901923780187 39.098 > 77 79 K 0.17723801338010 0.12500000000000 0.91901923780187 39.098 > 77 80 K 0.17723801338010 0.62500000000000 0.91901923780187 39.098 > 77 81 Br 0.57149609944352 0.12500000000000 0.09216836390792 79.904 > 81 82 Br 0.57149609944352 0.62500000000000 0.09216836390792 79.904 > 81 83 Br 0.57149609944352 0.12500000000000 0.59216836390792 79.904 > 81 84 Br 0.57149609944352 0.62500000000000 0.59216836390792 79.904 > 81 85 Br 0.42850390055648 0.37500000000000 0.40783163609208 79.904 > 85 86 Br 0.42850390055648 0.87500000000000 0.40783163609208 79.904 > 85 87 Br 0.42850390055648 0.37500000000000 0.90783163609208 79.904 > 85 88 Br 0.42850390055648 0.87500000000000 0.90783163609208 79.904 > 85 89 Br 0.92850390055648 0.37500000000000 0.34216836390792 79.904 > 89 90 Br 0.92850390055648 0.87500000000000 0.34216836390792 79.904 > 89 91 Br 0.92850390055648 0.37500000000000 0.84216836390792 79.904 > 89 92 Br 0.92850390055648 0.87500000000000 0.84216836390792 79.904 > 89 93 Br 0.07149609944352 0.12500000000000 0.15783163609208 79.904 > 93 94 Br 0.07149609944352 0.62500000000000 0.15783163609208 79.904 > 93 95 Br 0.07149609944352 0.12500000000000 0.65783163609208 79.904 > 93 96 Br 0.07149609944352 0.62500000000000 0.65783163609208 79.904 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4856257 0.0000000 0.0000000 0.0000000 2.5013028 0.0000000 0.0000000 0.0000000 2.4867497 -------------------------- Born effective charges -------------------------- 1 O -0.7801539 -0.0086345 0.0664833 -0.0053129 -1.3686285 0.4141174 -0.0057033 0.3795892 -1.0329070 2 O -0.7801539 0.0086345 0.0664833 0.0053129 -1.3686285 -0.4141174 -0.0057033 -0.3795892 -1.0329070 3 O -0.7801539 -0.0086345 -0.0664833 -0.0053129 -1.3686285 -0.4141174 0.0057033 -0.3795892 -1.0329070 4 O -0.7801539 0.0086345 -0.0664833 0.0053129 -1.3686285 0.4141174 0.0057033 0.3795892 -1.0329070 5 O -0.7801539 -0.0086345 0.0664833 -0.0053129 -1.3686285 0.4141174 -0.0057033 0.3795892 -1.0329070 6 O -0.7801539 0.0086345 0.0664833 0.0053129 -1.3686285 -0.4141174 -0.0057033 -0.3795892 -1.0329070 7 O -0.7801539 -0.0086345 -0.0664833 -0.0053129 -1.3686285 -0.4141174 0.0057033 -0.3795892 -1.0329070 8 O -0.7801539 0.0086345 -0.0664833 0.0053129 -1.3686285 0.4141174 0.0057033 0.3795892 -1.0329070 9 O -1.1422399 0.0000000 0.3124009 0.0000000 -0.7486929 0.0000000 0.4266149 0.0000000 -1.1187451 10 O -1.1422399 0.0000000 0.3124009 0.0000000 -0.7486929 0.0000000 0.4266149 0.0000000 -1.1187451 11 O -1.1422399 0.0000000 -0.3124009 0.0000000 -0.7486929 0.0000000 -0.4266149 0.0000000 -1.1187451 12 O -1.1422399 0.0000000 -0.3124009 0.0000000 -0.7486929 0.0000000 -0.4266149 0.0000000 -1.1187451 13 O -1.4130896 0.0000000 -0.4365991 0.0000000 -0.7305821 0.0000000 -0.4104316 0.0000000 -0.9275593 14 O -1.4130896 0.0000000 -0.4365991 0.0000000 -0.7305821 0.0000000 -0.4104316 0.0000000 -0.9275593 15 O -1.4130896 0.0000000 0.4365991 0.0000000 -0.7305821 0.0000000 0.4104316 0.0000000 -0.9275593 16 O -1.4130896 0.0000000 0.4365991 0.0000000 -0.7305821 0.0000000 0.4104316 0.0000000 -0.9275593 17 K 1.2912123 0.0000000 -0.1668071 0.0000000 1.2666195 0.0000000 -0.1611975 0.0000000 1.2815352 18 K 1.2912123 0.0000000 -0.1668071 0.0000000 1.2666195 0.0000000 -0.1611975 0.0000000 1.2815352 19 K 1.2912123 0.0000000 0.1668071 0.0000000 1.2666195 0.0000000 0.1611975 0.0000000 1.2815352 20 K 1.2912123 0.0000000 0.1668071 0.0000000 1.2666195 0.0000000 0.1611975 0.0000000 1.2815352 21 Br 2.8244249 0.0000000 0.2063026 0.0000000 2.9499126 0.0000000 -0.0229881 0.0000000 2.8305831 22 Br 2.8244249 0.0000000 0.2063026 0.0000000 2.9499126 0.0000000 -0.0229881 0.0000000 2.8305831 23 Br 2.8244249 0.0000000 -0.2063026 0.0000000 2.9499126 0.0000000 0.0229881 0.0000000 2.8305831 24 Br 2.8244249 0.0000000 -0.2063026 0.0000000 2.9499126 0.0000000 0.0229881 0.0000000 2.8305831 ---------------------------------------------------------------------------- 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[ 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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 (xzx) -0.00000007 (xzx) -0.00000007 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:21:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:21:41]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.030564200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.933942660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.553133990000000 Atomic positions (fractional): 1 O 0.91760951031366 0.52551924573672 0.81144320791356 15.999 2 O 0.08239048968634 0.02551924573672 0.18855679208644 15.999 3 O 0.58239048968634 0.47448075426328 0.31144320791356 15.999 4 O 0.41760951031366 0.97448075426328 0.68855679208644 15.999 5 O 0.08239048968634 0.47448075426328 0.18855679208644 15.999 6 O 0.91760951031366 0.97448075426328 0.81144320791356 15.999 7 O 0.41760951031366 0.52551924573672 0.68855679208644 15.999 8 O 0.58239048968634 0.02551924573672 0.31144320791356 15.999 9 O 0.71083990751872 0.25000000000000 0.04533696385347 15.999 10 O 0.28916009248128 0.75000000000000 0.95466303614653 15.999 11 O 0.78916009248128 0.75000000000000 0.54533696385347 15.999 12 O 0.21083990751872 0.25000000000000 0.45466303614653 15.999 13 O 0.41361262671905 0.25000000000000 0.07863780650126 15.999 14 O 0.58638737328095 0.75000000000000 0.92136219349874 15.999 15 O 0.08638737328095 0.75000000000000 0.57863780650126 15.999 16 O 0.91361262671905 0.25000000000000 0.42136219349874 15.999 17 K 0.67723801338010 0.25000000000000 0.66196152439626 39.098 18 K 0.32276198661990 0.75000000000000 0.33803847560374 39.098 19 K 0.82276198661990 0.75000000000000 0.16196152439626 39.098 20 K 0.17723801338010 0.25000000000000 0.83803847560374 39.098 21 Br 0.57149609944352 0.25000000000000 0.18433672781584 79.904 22 Br 0.42850390055648 0.75000000000000 0.81566327218416 79.904 23 Br 0.92850390055648 0.75000000000000 0.68433672781584 79.904 24 Br 0.07149609944352 0.25000000000000 0.31566327218416 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.030564200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.867885319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.106267980000000 Atomic positions (fractional): 1 O 0.91760951031366 0.26275962286836 0.40572160395678 15.999 > 1 2 O 0.91760951031366 0.76275962286836 0.40572160395678 15.999 > 1 3 O 0.91760951031366 0.26275962286836 0.90572160395678 15.999 > 1 4 O 0.91760951031366 0.76275962286836 0.90572160395678 15.999 > 1 5 O 0.08239048968634 0.01275962286836 0.09427839604322 15.999 > 5 6 O 0.08239048968634 0.51275962286836 0.09427839604322 15.999 > 5 7 O 0.08239048968634 0.01275962286836 0.59427839604322 15.999 > 5 8 O 0.08239048968634 0.51275962286836 0.59427839604322 15.999 > 5 9 O 0.58239048968634 0.23724037713164 0.15572160395678 15.999 > 9 10 O 0.58239048968634 0.73724037713164 0.15572160395678 15.999 > 9 11 O 0.58239048968634 0.23724037713164 0.65572160395678 15.999 > 9 12 O 0.58239048968634 0.73724037713164 0.65572160395678 15.999 > 9 13 O 0.41760951031366 0.48724037713164 0.34427839604322 15.999 > 13 14 O 0.41760951031366 0.98724037713164 0.34427839604322 15.999 > 13 15 O 0.41760951031366 0.48724037713164 0.84427839604322 15.999 > 13 16 O 0.41760951031366 0.98724037713164 0.84427839604322 15.999 > 13 17 O 0.08239048968634 0.23724037713164 0.09427839604322 15.999 > 17 18 O 0.08239048968634 0.73724037713164 0.09427839604322 15.999 > 17 19 O 0.08239048968634 0.23724037713164 0.59427839604322 15.999 > 17 20 O 0.08239048968634 0.73724037713164 0.59427839604322 15.999 > 17 21 O 0.91760951031366 0.48724037713164 0.40572160395678 15.999 > 21 22 O 0.91760951031366 0.98724037713164 0.40572160395678 15.999 > 21 23 O 0.91760951031366 0.48724037713164 0.90572160395678 15.999 > 21 24 O 0.91760951031366 0.98724037713164 0.90572160395678 15.999 > 21 25 O 0.41760951031366 0.26275962286836 0.34427839604322 15.999 > 25 26 O 0.41760951031366 0.76275962286836 0.34427839604322 15.999 > 25 27 O 0.41760951031366 0.26275962286836 0.84427839604322 15.999 > 25 28 O 0.41760951031366 0.76275962286836 0.84427839604322 15.999 > 25 29 O 0.58239048968634 0.01275962286836 0.15572160395678 15.999 > 29 30 O 0.58239048968634 0.51275962286836 0.15572160395678 15.999 > 29 31 O 0.58239048968634 0.01275962286836 0.65572160395678 15.999 > 29 32 O 0.58239048968634 0.51275962286836 0.65572160395678 15.999 > 29 33 O 0.71083990751872 0.12500000000000 0.02266848192673 15.999 > 33 34 O 0.71083990751872 0.62500000000000 0.02266848192673 15.999 > 33 35 O 0.71083990751872 0.12500000000000 0.52266848192673 15.999 > 33 36 O 0.71083990751872 0.62500000000000 0.52266848192673 15.999 > 33 37 O 0.28916009248128 0.37500000000000 0.47733151807327 15.999 > 37 38 O 0.28916009248128 0.87500000000000 0.47733151807327 15.999 > 37 39 O 0.28916009248128 0.37500000000000 0.97733151807327 15.999 > 37 40 O 0.28916009248128 0.87500000000000 0.97733151807327 15.999 > 37 41 O 0.78916009248128 0.37500000000000 0.27266848192673 15.999 > 41 42 O 0.78916009248128 0.87500000000000 0.27266848192673 15.999 > 41 43 O 0.78916009248128 0.37500000000000 0.77266848192673 15.999 > 41 44 O 0.78916009248128 0.87500000000000 0.77266848192673 15.999 > 41 45 O 0.21083990751872 0.12500000000000 0.22733151807327 15.999 > 45 46 O 0.21083990751872 0.62500000000000 0.22733151807327 15.999 > 45 47 O 0.21083990751872 0.12500000000000 0.72733151807327 15.999 > 45 48 O 0.21083990751872 0.62500000000000 0.72733151807327 15.999 > 45 49 O 0.41361262671905 0.12500000000000 0.03931890325063 15.999 > 49 50 O 0.41361262671905 0.62500000000000 0.03931890325063 15.999 > 49 51 O 0.41361262671905 0.12500000000000 0.53931890325063 15.999 > 49 52 O 0.41361262671905 0.62500000000000 0.53931890325063 15.999 > 49 53 O 0.58638737328095 0.37500000000000 0.46068109674937 15.999 > 53 54 O 0.58638737328095 0.87500000000000 0.46068109674937 15.999 > 53 55 O 0.58638737328095 0.37500000000000 0.96068109674937 15.999 > 53 56 O 0.58638737328095 0.87500000000000 0.96068109674937 15.999 > 53 57 O 0.08638737328095 0.37500000000000 0.28931890325063 15.999 > 57 58 O 0.08638737328095 0.87500000000000 0.28931890325063 15.999 > 57 59 O 0.08638737328095 0.37500000000000 0.78931890325063 15.999 > 57 60 O 0.08638737328095 0.87500000000000 0.78931890325063 15.999 > 57 61 O 0.91361262671905 0.12500000000000 0.21068109674937 15.999 > 61 62 O 0.91361262671905 0.62500000000000 0.21068109674937 15.999 > 61 63 O 0.91361262671905 0.12500000000000 0.71068109674937 15.999 > 61 64 O 0.91361262671905 0.62500000000000 0.71068109674937 15.999 > 61 65 K 0.67723801338010 0.12500000000000 0.33098076219813 39.098 > 65 66 K 0.67723801338010 0.62500000000000 0.33098076219813 39.098 > 65 67 K 0.67723801338010 0.12500000000000 0.83098076219813 39.098 > 65 68 K 0.67723801338010 0.62500000000000 0.83098076219813 39.098 > 65 69 K 0.32276198661990 0.37500000000000 0.16901923780187 39.098 > 69 70 K 0.32276198661990 0.87500000000000 0.16901923780187 39.098 > 69 71 K 0.32276198661990 0.37500000000000 0.66901923780187 39.098 > 69 72 K 0.32276198661990 0.87500000000000 0.66901923780187 39.098 > 69 73 K 0.82276198661990 0.37500000000000 0.08098076219813 39.098 > 73 74 K 0.82276198661990 0.87500000000000 0.08098076219813 39.098 > 73 75 K 0.82276198661990 0.37500000000000 0.58098076219813 39.098 > 73 76 K 0.82276198661990 0.87500000000000 0.58098076219813 39.098 > 73 77 K 0.17723801338010 0.12500000000000 0.41901923780187 39.098 > 77 78 K 0.17723801338010 0.62500000000000 0.41901923780187 39.098 > 77 79 K 0.17723801338010 0.12500000000000 0.91901923780187 39.098 > 77 80 K 0.17723801338010 0.62500000000000 0.91901923780187 39.098 > 77 81 Br 0.57149609944352 0.12500000000000 0.09216836390792 79.904 > 81 82 Br 0.57149609944352 0.62500000000000 0.09216836390792 79.904 > 81 83 Br 0.57149609944352 0.12500000000000 0.59216836390792 79.904 > 81 84 Br 0.57149609944352 0.62500000000000 0.59216836390792 79.904 > 81 85 Br 0.42850390055648 0.37500000000000 0.40783163609208 79.904 > 85 86 Br 0.42850390055648 0.87500000000000 0.40783163609208 79.904 > 85 87 Br 0.42850390055648 0.37500000000000 0.90783163609208 79.904 > 85 88 Br 0.42850390055648 0.87500000000000 0.90783163609208 79.904 > 85 89 Br 0.92850390055648 0.37500000000000 0.34216836390792 79.904 > 89 90 Br 0.92850390055648 0.87500000000000 0.34216836390792 79.904 > 89 91 Br 0.92850390055648 0.37500000000000 0.84216836390792 79.904 > 89 92 Br 0.92850390055648 0.87500000000000 0.84216836390792 79.904 > 89 93 Br 0.07149609944352 0.12500000000000 0.15783163609208 79.904 > 93 94 Br 0.07149609944352 0.62500000000000 0.15783163609208 79.904 > 93 95 Br 0.07149609944352 0.12500000000000 0.65783163609208 79.904 > 93 96 Br 0.07149609944352 0.62500000000000 0.65783163609208 79.904 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4856257 0.0000000 0.0000000 0.0000000 2.5013028 0.0000000 0.0000000 0.0000000 2.4867497 -------------------------- Born effective charges -------------------------- 1 O -0.7801539 -0.0086345 0.0664833 -0.0053129 -1.3686285 0.4141174 -0.0057033 0.3795892 -1.0329070 2 O -0.7801539 0.0086345 0.0664833 0.0053129 -1.3686285 -0.4141174 -0.0057033 -0.3795892 -1.0329070 3 O -0.7801539 -0.0086345 -0.0664833 -0.0053129 -1.3686285 -0.4141174 0.0057033 -0.3795892 -1.0329070 4 O -0.7801539 0.0086345 -0.0664833 0.0053129 -1.3686285 0.4141174 0.0057033 0.3795892 -1.0329070 5 O -0.7801539 -0.0086345 0.0664833 -0.0053129 -1.3686285 0.4141174 -0.0057033 0.3795892 -1.0329070 6 O -0.7801539 0.0086345 0.0664833 0.0053129 -1.3686285 -0.4141174 -0.0057033 -0.3795892 -1.0329070 7 O -0.7801539 -0.0086345 -0.0664833 -0.0053129 -1.3686285 -0.4141174 0.0057033 -0.3795892 -1.0329070 8 O -0.7801539 0.0086345 -0.0664833 0.0053129 -1.3686285 0.4141174 0.0057033 0.3795892 -1.0329070 9 O -1.1422399 0.0000000 0.3124009 0.0000000 -0.7486929 0.0000000 0.4266149 0.0000000 -1.1187451 10 O -1.1422399 0.0000000 0.3124009 0.0000000 -0.7486929 0.0000000 0.4266149 0.0000000 -1.1187451 11 O -1.1422399 0.0000000 -0.3124009 0.0000000 -0.7486929 0.0000000 -0.4266149 0.0000000 -1.1187451 12 O -1.1422399 0.0000000 -0.3124009 0.0000000 -0.7486929 0.0000000 -0.4266149 0.0000000 -1.1187451 13 O -1.4130896 0.0000000 -0.4365991 0.0000000 -0.7305821 0.0000000 -0.4104316 0.0000000 -0.9275593 14 O -1.4130896 0.0000000 -0.4365991 0.0000000 -0.7305821 0.0000000 -0.4104316 0.0000000 -0.9275593 15 O -1.4130896 0.0000000 0.4365991 0.0000000 -0.7305821 0.0000000 0.4104316 0.0000000 -0.9275593 16 O -1.4130896 0.0000000 0.4365991 0.0000000 -0.7305821 0.0000000 0.4104316 0.0000000 -0.9275593 17 K 1.2912123 0.0000000 -0.1668071 0.0000000 1.2666195 0.0000000 -0.1611975 0.0000000 1.2815352 18 K 1.2912123 0.0000000 -0.1668071 0.0000000 1.2666195 0.0000000 -0.1611975 0.0000000 1.2815352 19 K 1.2912123 0.0000000 0.1668071 0.0000000 1.2666195 0.0000000 0.1611975 0.0000000 1.2815352 20 K 1.2912123 0.0000000 0.1668071 0.0000000 1.2666195 0.0000000 0.1611975 0.0000000 1.2815352 21 Br 2.8244249 0.0000000 0.2063026 0.0000000 2.9499126 0.0000000 -0.0229881 0.0000000 2.8305831 22 Br 2.8244249 0.0000000 0.2063026 0.0000000 2.9499126 0.0000000 -0.0229881 0.0000000 2.8305831 23 Br 2.8244249 0.0000000 -0.2063026 0.0000000 2.9499126 0.0000000 0.0229881 0.0000000 2.8305831 24 Br 2.8244249 0.0000000 -0.2063026 0.0000000 2.9499126 0.0000000 0.0229881 0.0000000 2.8305831 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (xzx) -0.00000007 (xzx) -0.00000007 (xxz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 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 0.770 ( 0.000 0.000 0.000) 0.000 1.116 ( 0.000 0.000 0.000) 0.000 1.201 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 2.004 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.323 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 9.105 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.302 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 11.051 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 0.000) 0.000 11.504 ( 0.000 0.000 0.000) 0.000 11.515 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 11.882 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 0.000) 0.000 12.345 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 23.847 ( 0.000 0.000 0.000) 0.000 23.852 ( 0.000 0.000 0.000) 0.000 23.853 ( 0.000 0.000 0.000) 0.000 23.871 ( 0.000 0.000 0.000) 0.000 25.049 ( 0.000 0.000 0.000) 0.000 25.068 ( 0.000 0.000 0.000) 0.000 25.322 ( 0.000 0.000 0.000) 0.000 25.389 ( 0.000 0.000 0.000) 0.000 25.457 ( 0.000 0.000 0.000) 0.000 25.527 ( 0.000 0.000 0.000) 0.000 25.715 ( 0.000 0.000 0.000) 0.000 25.967 ( 0.000 0.000 0.000) 0.000 26.058 ( 0.000 0.000 0.000) 0.000 26.077 ( 0.000 0.000 0.000) 0.000 26.413 ( 0.000 0.000 0.000) 0.000 26.953 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 14.151 0.000 0.000) 14.151 0.320 ( 17.213 0.000 0.000) 17.213 0.487 ( 24.040 0.000 0.000) 24.040 0.773 ( 0.372 0.000 0.000) 0.372 1.152 ( 1.892 0.000 0.000) 1.892 1.210 ( 2.656 0.000 0.000) 2.656 1.247 ( -2.931 0.000 0.000) 2.931 1.356 ( -7.584 0.000 0.000) 7.584 1.534 ( 3.459 0.000 0.000) 3.459 1.596 ( -7.964 0.000 0.000) 7.964 1.638 ( -10.710 0.000 0.000) 10.710 1.754 ( -0.789 0.000 0.000) 0.789 1.794 ( 3.589 0.000 0.000) 3.589 1.959 ( -0.202 0.000 0.000) 0.202 1.962 ( -3.699 0.000 0.000) 3.699 1.989 ( 7.305 0.000 0.000) 7.305 2.122 ( -1.530 0.000 0.000) 1.530 2.250 ( -2.122 0.000 0.000) 2.122 2.335 ( 4.361 0.000 0.000) 4.361 2.411 ( 6.585 0.000 0.000) 6.585 2.455 ( -3.645 0.000 0.000) 3.645 2.659 ( -7.166 0.000 0.000) 7.166 2.910 ( -2.159 0.000 0.000) 2.159 2.930 ( 0.813 0.000 0.000) 0.813 2.935 ( -7.038 0.000 0.000) 7.038 3.053 ( 0.708 0.000 0.000) 0.708 3.075 ( 7.551 0.000 0.000) 7.551 3.134 ( -2.000 0.000 0.000) 2.000 3.175 ( -3.043 0.000 0.000) 3.043 3.187 ( 2.219 0.000 0.000) 2.219 3.312 ( 3.688 0.000 0.000) 3.688 3.349 ( 0.088 0.000 0.000) 0.088 3.624 ( -0.088 0.000 0.000) 0.088 3.676 ( -2.448 0.000 0.000) 2.448 4.231 ( 6.762 0.000 0.000) 6.762 4.684 ( -2.458 0.000 0.000) 2.458 9.113 ( 0.788 0.000 0.000) 0.788 9.215 ( -0.872 0.000 0.000) 0.872 9.219 ( 0.202 0.000 0.000) 0.202 9.253 ( 1.963 0.000 0.000) 1.963 9.295 ( -0.749 0.000 0.000) 0.749 9.327 ( 1.236 0.000 0.000) 1.236 9.432 ( -1.276 0.000 0.000) 1.276 9.585 ( -3.300 0.000 0.000) 3.300 11.059 ( 0.834 0.000 0.000) 0.834 11.154 ( -0.733 0.000 0.000) 0.733 11.477 ( -1.184 0.000 0.000) 1.184 11.508 ( -0.743 0.000 0.000) 0.743 11.516 ( 0.100 0.000 0.000) 0.100 11.538 ( -0.254 0.000 0.000) 0.254 11.576 ( 3.981 0.000 0.000) 3.981 11.866 ( -1.803 0.000 0.000) 1.803 12.004 ( 3.016 0.000 0.000) 3.016 12.301 ( -3.107 0.000 0.000) 3.107 12.396 ( 1.699 0.000 0.000) 1.699 12.414 ( 0.372 0.000 0.000) 0.372 23.834 ( -0.926 0.000 0.000) 0.926 23.838 ( -0.696 0.000 0.000) 0.696 23.874 ( 0.955 0.000 0.000) 0.955 23.879 ( 0.584 0.000 0.000) 0.584 25.050 ( 0.108 0.000 0.000) 0.108 25.066 ( -0.170 0.000 0.000) 0.170 25.327 ( 0.502 0.000 0.000) 0.502 25.385 ( -0.458 0.000 0.000) 0.458 25.464 ( 0.720 0.000 0.000) 0.720 25.524 ( -0.392 0.000 0.000) 0.392 25.732 ( 1.887 0.000 0.000) 1.887 25.992 ( 2.730 0.000 0.000) 2.730 26.031 ( -2.877 0.000 0.000) 2.877 26.373 ( -4.050 0.000 0.000) 4.050 26.977 ( 2.293 0.000 0.000) 2.293 27.114 ( -0.505 0.000 0.000) 0.505 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 12.423 0.000 0.000) 12.423 0.633 ( 16.672 0.000 0.000) 16.672 0.773 ( -1.066 0.000 0.000) 1.066 0.846 ( 14.909 0.000 0.000) 14.909 1.144 ( -1.357 0.000 0.000) 1.357 1.178 ( -3.902 0.000 0.000) 3.902 1.194 ( -11.644 0.000 0.000) 11.644 1.326 ( 8.254 0.000 0.000) 8.254 1.389 ( -15.242 0.000 0.000) 15.242 1.569 ( -1.277 0.000 0.000) 1.277 1.572 ( 8.526 0.000 0.000) 8.526 1.743 ( -0.125 0.000 0.000) 0.125 1.808 ( -1.633 0.000 0.000) 1.633 1.913 ( -0.521 0.000 0.000) 0.521 1.953 ( -0.549 0.000 0.000) 0.549 2.050 ( -7.043 0.000 0.000) 7.043 2.132 ( 7.935 0.000 0.000) 7.935 2.229 ( 0.147 0.000 0.000) 0.147 2.365 ( -5.633 0.000 0.000) 5.633 2.452 ( 7.885 0.000 0.000) 7.885 2.473 ( -11.741 0.000 0.000) 11.741 2.549 ( 8.160 0.000 0.000) 8.160 2.784 ( -8.934 0.000 0.000) 8.934 2.837 ( -5.842 0.000 0.000) 5.842 2.975 ( 3.558 0.000 0.000) 3.558 3.070 ( 1.043 0.000 0.000) 1.043 3.097 ( -2.310 0.000 0.000) 2.310 3.122 ( -2.283 0.000 0.000) 2.283 3.219 ( 7.451 0.000 0.000) 7.451 3.239 ( 3.208 0.000 0.000) 3.208 3.337 ( -1.444 0.000 0.000) 1.444 3.356 ( 0.775 0.000 0.000) 0.775 3.621 ( -0.162 0.000 0.000) 0.162 3.637 ( -1.518 0.000 0.000) 1.518 4.372 ( 7.941 0.000 0.000) 7.941 4.617 ( -4.778 0.000 0.000) 4.778 9.133 ( 1.416 0.000 0.000) 1.416 9.193 ( -1.496 0.000 0.000) 1.496 9.230 ( 0.964 0.000 0.000) 0.964 9.276 ( -1.245 0.000 0.000) 1.245 9.297 ( 2.729 0.000 0.000) 2.729 9.363 ( 2.659 0.000 0.000) 2.659 9.398 ( -2.309 0.000 0.000) 2.309 9.508 ( -4.649 0.000 0.000) 4.649 11.080 ( 1.401 0.000 0.000) 1.401 11.135 ( -1.300 0.000 0.000) 1.300 11.466 ( -0.070 0.000 0.000) 0.070 11.491 ( -1.057 0.000 0.000) 1.057 11.520 ( 0.234 0.000 0.000) 0.234 11.532 ( -0.388 0.000 0.000) 0.388 11.658 ( 4.730 0.000 0.000) 4.730 11.817 ( -3.371 0.000 0.000) 3.371 12.076 ( 4.493 0.000 0.000) 4.493 12.237 ( -3.834 0.000 0.000) 3.834 12.419 ( 0.826 0.000 0.000) 0.826 12.422 ( 0.437 0.000 0.000) 0.437 23.821 ( -0.433 0.000 0.000) 0.433 23.826 ( -0.577 0.000 0.000) 0.577 23.887 ( 0.517 0.000 0.000) 0.517 23.888 ( 0.411 0.000 0.000) 0.411 25.053 ( 0.205 0.000 0.000) 0.205 25.062 ( -0.264 0.000 0.000) 0.264 25.339 ( 0.847 0.000 0.000) 0.847 25.373 ( -0.803 0.000 0.000) 0.803 25.480 ( 0.995 0.000 0.000) 0.995 25.513 ( -0.705 0.000 0.000) 0.705 25.784 ( 3.757 0.000 0.000) 3.757 25.959 ( -4.725 0.000 0.000) 4.725 26.064 ( 4.863 0.000 0.000) 4.863 26.277 ( -5.892 0.000 0.000) 5.892 27.025 ( 2.687 0.000 0.000) 2.687 27.099 ( -1.173 0.000 0.000) 1.173 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -7.280 0.000 0.000) 7.280 0.701 ( 7.280 0.000 0.000) 7.280 0.929 ( -14.849 0.000 0.000) 14.849 0.929 ( 14.849 0.000 0.000) 14.849 1.111 ( -13.825 0.000 0.000) 13.825 1.111 ( 13.825 0.000 0.000) 13.825 1.132 ( -0.683 0.000 0.000) 0.683 1.132 ( 0.683 0.000 0.000) 0.683 1.479 ( -7.522 0.000 0.000) 7.522 1.479 ( 7.522 0.000 0.000) 7.522 1.751 ( -0.280 0.000 0.000) 0.280 1.751 ( 0.280 0.000 0.000) 0.280 1.846 ( -13.131 0.000 0.000) 13.131 1.846 ( 13.131 0.000 0.000) 13.131 1.934 ( -1.577 0.000 0.000) 1.577 1.934 ( 1.577 0.000 0.000) 1.577 2.268 ( -4.138 0.000 0.000) 4.138 2.268 ( 4.138 0.000 0.000) 4.138 2.280 ( -8.695 0.000 0.000) 8.695 2.280 ( 8.695 0.000 0.000) 8.695 2.614 ( -9.279 0.000 0.000) 9.279 2.614 ( 9.279 0.000 0.000) 9.279 2.703 ( -8.205 0.000 0.000) 8.205 2.703 ( 8.205 0.000 0.000) 8.205 3.043 ( -3.483 0.000 0.000) 3.483 3.043 ( 3.483 0.000 0.000) 3.483 3.091 ( -1.282 0.000 0.000) 1.282 3.091 ( 1.282 0.000 0.000) 1.282 3.297 ( -2.811 0.000 0.000) 2.811 3.297 ( 2.811 0.000 0.000) 2.811 3.328 ( -3.921 0.000 0.000) 3.921 3.328 ( 3.921 0.000 0.000) 3.921 3.621 ( -0.310 0.000 0.000) 0.310 3.621 ( 0.310 0.000 0.000) 0.310 4.510 ( -6.765 0.000 0.000) 6.765 4.510 ( 6.765 0.000 0.000) 6.765 9.163 ( -1.692 0.000 0.000) 1.692 9.163 ( 1.692 0.000 0.000) 1.692 9.252 ( -1.330 0.000 0.000) 1.330 9.252 ( 1.330 0.000 0.000) 1.330 9.350 ( -2.852 0.000 0.000) 2.852 9.350 ( 2.852 0.000 0.000) 2.852 9.425 ( -4.073 0.000 0.000) 4.073 9.425 ( 4.073 0.000 0.000) 4.073 11.108 ( -1.555 0.000 0.000) 1.555 11.108 ( 1.555 0.000 0.000) 1.555 11.473 ( -0.755 0.000 0.000) 0.755 11.473 ( 0.755 0.000 0.000) 0.755 11.525 ( -0.362 0.000 0.000) 0.362 11.525 ( 0.362 0.000 0.000) 0.362 11.744 ( -4.447 0.000 0.000) 4.447 11.744 ( 4.447 0.000 0.000) 4.447 12.160 ( -4.480 0.000 0.000) 4.480 12.160 ( 4.480 0.000 0.000) 4.480 12.427 ( -0.005 0.000 0.000) 0.005 12.427 ( 0.005 0.000 0.000) 0.005 23.819 ( -0.143 0.000 0.000) 0.143 23.819 ( 0.143 0.000 0.000) 0.143 23.892 ( -0.004 0.000 0.000) 0.004 23.892 ( 0.004 0.000 0.000) 0.004 25.057 ( -0.267 0.000 0.000) 0.267 25.057 ( 0.267 0.000 0.000) 0.267 25.356 ( -0.949 0.000 0.000) 0.949 25.356 ( 0.949 0.000 0.000) 0.949 25.498 ( -0.919 0.000 0.000) 0.919 25.498 ( 0.919 0.000 0.000) 0.919 25.867 ( -4.957 0.000 0.000) 4.957 25.867 ( 4.957 0.000 0.000) 4.957 26.166 ( -5.997 0.000 0.000) 5.997 26.166 ( 5.997 0.000 0.000) 5.997 27.070 ( -2.014 0.000 0.000) 2.014 27.070 ( 2.014 0.000 0.000) 2.014 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 0.000 15.086 0.000) 15.086 0.343 ( 0.000 17.192 0.000) 17.192 0.597 ( 0.000 26.729 0.000) 26.729 0.825 ( 0.000 4.758 0.000) 4.758 1.238 ( 0.000 -4.676 0.000) 4.676 1.319 ( 0.000 13.039 0.000) 13.039 1.410 ( 0.000 -0.730 0.000) 0.730 1.414 ( 0.000 -4.489 0.000) 4.489 1.426 ( 0.000 -2.813 0.000) 2.813 1.731 ( 0.000 2.316 0.000) 2.316 1.765 ( 0.000 1.920 0.000) 1.920 1.766 ( 0.000 -2.789 0.000) 2.789 1.786 ( 0.000 -0.802 0.000) 0.802 1.906 ( 0.000 5.136 0.000) 5.136 2.005 ( 0.000 -0.055 0.000) 0.055 2.070 ( 0.000 -2.689 0.000) 2.689 2.117 ( 0.000 10.040 0.000) 10.040 2.325 ( 0.000 -0.095 0.000) 0.095 2.352 ( 0.000 5.623 0.000) 5.623 2.387 ( 0.000 6.016 0.000) 6.016 2.468 ( 0.000 -2.005 0.000) 2.005 2.645 ( 0.000 -6.911 0.000) 6.911 2.824 ( 0.000 -10.758 0.000) 10.758 2.941 ( 0.000 1.293 0.000) 1.293 2.956 ( 0.000 -5.279 0.000) 5.279 3.023 ( 0.000 -0.306 0.000) 0.306 3.110 ( 0.000 0.223 0.000) 0.223 3.116 ( 0.000 -1.209 0.000) 1.209 3.240 ( 0.000 2.555 0.000) 2.555 3.256 ( 0.000 4.869 0.000) 4.869 3.363 ( 0.000 7.865 0.000) 7.865 3.659 ( 0.000 2.582 0.000) 2.582 3.677 ( 0.000 -2.434 0.000) 2.434 3.866 ( 0.000 -1.385 0.000) 1.385 4.102 ( 0.000 -4.932 0.000) 4.932 4.117 ( 0.000 -5.488 0.000) 5.488 9.095 ( 0.000 -0.788 0.000) 0.788 9.206 ( 0.000 -0.776 0.000) 0.776 9.228 ( 0.000 -0.113 0.000) 0.113 9.253 ( 0.000 1.294 0.000) 1.294 9.256 ( 0.000 -2.384 0.000) 2.384 9.377 ( 0.000 3.706 0.000) 3.706 9.469 ( 0.000 2.212 0.000) 2.212 9.587 ( 0.000 -2.665 0.000) 2.665 11.072 ( 0.000 1.959 0.000) 1.959 11.481 ( 0.000 -1.978 0.000) 1.978 11.498 ( 0.000 -0.589 0.000) 0.589 11.499 ( 0.000 -1.256 0.000) 1.256 11.545 ( 0.000 1.519 0.000) 1.519 11.574 ( 0.000 2.187 0.000) 2.187 11.665 ( 0.000 -0.460 0.000) 0.460 11.805 ( 0.000 -0.082 0.000) 0.082 11.870 ( 0.000 -1.210 0.000) 1.210 11.974 ( 0.000 -0.142 0.000) 0.142 12.333 ( 0.000 -1.003 0.000) 1.003 12.352 ( 0.000 -1.146 0.000) 1.146 23.849 ( 0.000 0.191 0.000) 0.191 23.851 ( 0.000 -0.082 0.000) 0.082 23.853 ( 0.000 -0.037 0.000) 0.037 23.869 ( 0.000 -0.205 0.000) 0.205 25.102 ( 0.000 3.062 0.000) 3.062 25.337 ( 0.000 1.308 0.000) 1.308 25.392 ( 0.000 0.240 0.000) 0.240 25.459 ( 0.000 0.216 0.000) 0.216 25.541 ( 0.000 1.338 0.000) 1.338 25.750 ( 0.000 3.247 0.000) 3.247 25.953 ( 0.000 -1.233 0.000) 1.233 26.066 ( 0.000 -0.967 0.000) 0.967 26.073 ( 0.000 1.090 0.000) 1.090 26.256 ( 0.000 -0.306 0.000) 0.306 26.383 ( 0.000 -2.387 0.000) 2.387 26.916 ( 0.000 -3.454 0.000) 3.454 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 5.917 12.088 0.000) 13.459 0.423 ( 10.019 8.744 0.000) 13.298 0.770 ( 14.368 19.670 0.000) 24.359 0.809 ( -1.561 2.837 0.000) 3.238 1.233 ( -1.019 -2.640 0.000) 2.830 1.297 ( -3.972 2.540 0.000) 4.715 1.333 ( -6.221 1.088 0.000) 6.315 1.414 ( 1.455 10.107 0.000) 10.211 1.444 ( 0.771 -3.373 0.000) 3.460 1.585 ( -7.383 -2.356 0.000) 7.750 1.701 ( -4.810 4.152 0.000) 6.355 1.773 ( -1.854 -0.729 0.000) 1.993 1.815 ( -2.479 7.368 0.000) 7.774 1.955 ( -3.908 -0.392 0.000) 3.928 1.969 ( 9.989 0.261 0.000) 9.992 2.090 ( 0.931 -1.561 0.000) 1.817 2.092 ( -2.515 7.994 0.000) 8.381 2.274 ( -4.455 0.392 0.000) 4.472 2.400 ( 4.288 5.662 0.000) 7.102 2.440 ( 4.665 2.606 0.000) 5.344 2.449 ( -2.421 -1.384 0.000) 2.788 2.606 ( -4.194 -4.120 0.000) 5.879 2.825 ( -0.090 -8.831 0.000) 8.831 2.920 ( -4.110 -2.296 0.000) 4.708 2.952 ( -0.062 1.517 0.000) 1.518 3.037 ( 1.379 -0.646 0.000) 1.523 3.087 ( 1.229 0.402 0.000) 1.293 3.113 ( -0.473 -1.462 0.000) 1.537 3.226 ( -1.302 4.185 0.000) 4.383 3.278 ( 1.811 4.030 0.000) 4.419 3.400 ( 2.456 6.504 0.000) 6.952 3.483 ( -12.383 8.964 0.000) 15.287 3.658 ( -1.510 -1.523 0.000) 2.145 3.690 ( -2.316 5.185 0.000) 5.679 4.159 ( 5.431 -6.208 0.000) 8.248 4.380 ( 8.606 -18.430 0.000) 20.340 9.102 ( 0.756 -0.801 0.000) 1.101 9.200 ( -0.394 -0.624 0.000) 0.738 9.228 ( -0.079 0.463 0.000) 0.470 9.261 ( 0.486 -2.134 0.000) 2.189 9.282 ( 2.360 1.300 0.000) 2.695 9.375 ( -0.133 3.327 0.000) 3.330 9.458 ( -1.228 2.240 0.000) 2.555 9.558 ( -2.955 -2.409 0.000) 3.813 11.079 ( 0.707 1.853 0.000) 1.983 11.300 ( -11.519 6.839 0.000) 13.397 11.473 ( -1.697 -0.522 0.000) 1.775 11.478 ( -0.274 -1.890 0.000) 1.910 11.542 ( -0.327 1.464 0.000) 1.500 11.546 ( 0.163 1.125 0.000) 1.136 11.603 ( 2.869 2.200 0.000) 3.616 11.853 ( -1.715 -1.145 0.000) 2.062 12.002 ( 2.956 -0.244 0.000) 2.966 12.159 ( 13.545 -12.786 0.000) 18.627 12.294 ( -2.927 -0.653 0.000) 2.999 12.375 ( 1.094 -1.822 0.000) 2.126 23.833 ( -0.851 0.060 0.000) 0.853 23.840 ( -0.694 0.186 0.000) 0.719 23.871 ( 0.896 -0.235 0.000) 0.926 23.876 ( 0.550 -0.224 0.000) 0.594 25.107 ( 0.519 3.578 0.000) 3.616 25.344 ( 0.694 1.504 0.000) 1.656 25.388 ( -1.094 0.976 0.000) 1.466 25.445 ( -8.212 8.095 0.000) 11.531 25.499 ( -11.710 12.596 0.000) 17.198 25.535 ( -0.586 1.154 0.000) 1.295 25.765 ( 1.359 3.132 0.000) 3.414 25.982 ( 2.728 -0.785 0.000) 2.839 26.045 ( -2.921 1.050 0.000) 3.104 26.348 ( -3.651 -2.007 0.000) 4.166 26.775 ( 17.366 -18.692 0.000) 25.514 26.933 ( 1.619 -4.033 0.000) 4.346 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 8.875 3.814 0.000) 9.660 0.649 ( 13.682 2.074 0.000) 13.838 0.769 ( -3.087 -0.712 0.000) 3.168 0.991 ( 7.639 9.141 0.000) 11.913 1.163 ( -11.000 0.318 0.000) 11.005 1.194 ( -3.074 -1.094 0.000) 3.263 1.243 ( -1.218 3.572 0.000) 3.774 1.382 ( -7.292 2.954 0.000) 7.868 1.469 ( 3.464 11.123 0.000) 11.650 1.573 ( 7.780 -0.899 0.000) 7.832 1.647 ( -2.554 5.586 0.000) 6.142 1.741 ( -0.218 -0.740 0.000) 0.772 1.780 ( -1.218 2.158 0.000) 2.478 1.888 ( -3.143 -2.428 0.000) 3.972 2.036 ( -3.068 6.074 0.000) 6.805 2.073 ( -4.222 2.310 0.000) 4.812 2.157 ( 9.086 2.033 0.000) 9.311 2.195 ( -1.942 -2.948 0.000) 3.530 2.358 ( -5.140 -1.462 0.000) 5.344 2.487 ( -6.179 0.498 0.000) 6.199 2.517 ( 6.867 5.818 0.000) 9.000 2.556 ( 5.635 1.167 0.000) 5.755 2.788 ( -4.301 -4.543 0.000) 6.256 2.808 ( -7.547 1.916 0.000) 7.786 2.972 ( 2.884 0.220 0.000) 2.892 3.067 ( 1.765 -0.063 0.000) 1.767 3.090 ( -2.016 -1.107 0.000) 2.300 3.127 ( 0.607 -0.611 0.000) 0.861 3.239 ( 2.372 1.510 0.000) 2.812 3.289 ( 0.785 6.378 0.000) 6.426 3.377 ( -1.265 3.266 0.000) 3.502 3.424 ( -0.164 4.856 0.000) 4.859 3.638 ( -0.477 0.122 0.000) 0.493 3.658 ( -1.381 2.914 0.000) 3.225 4.273 ( 6.298 -8.658 0.000) 10.706 4.434 ( -1.039 -14.888 0.000) 14.924 9.122 ( 1.388 -0.805 0.000) 1.605 9.182 ( -1.495 -0.603 0.000) 1.612 9.239 ( 1.111 0.583 0.000) 1.255 9.269 ( 0.094 -0.995 0.000) 0.999 9.328 ( 2.672 2.126 0.000) 3.415 9.380 ( 1.006 1.764 0.000) 2.030 9.425 ( -2.218 2.303 0.000) 3.197 9.489 ( -4.114 -1.665 0.000) 4.439 11.097 ( 1.281 1.634 0.000) 2.077 11.175 ( -3.750 3.177 0.000) 4.915 11.456 ( -0.312 -0.936 0.000) 0.986 11.470 ( -0.614 -1.598 0.000) 1.712 11.537 ( -0.119 1.282 0.000) 1.287 11.544 ( -0.314 1.069 0.000) 1.115 11.669 ( 3.965 0.911 0.000) 4.069 11.808 ( -3.103 -0.865 0.000) 3.221 12.073 ( 4.441 -0.308 0.000) 4.452 12.232 ( -3.750 -0.448 0.000) 3.777 12.309 ( 4.647 -8.401 0.000) 9.601 12.384 ( -0.195 -3.046 0.000) 3.052 23.822 ( -0.365 0.134 0.000) 0.389 23.828 ( -0.585 0.204 0.000) 0.620 23.884 ( 0.483 -0.334 0.000) 0.588 23.885 ( 0.368 -0.303 0.000) 0.477 25.123 ( 1.258 5.191 0.000) 5.342 25.236 ( -6.548 13.207 0.000) 14.741 25.360 ( 1.025 1.932 0.000) 2.187 25.389 ( -0.409 1.789 0.000) 1.835 25.487 ( 0.798 0.597 0.000) 0.997 25.521 ( -0.931 0.725 0.000) 1.180 25.808 ( 3.266 2.101 0.000) 3.883 25.972 ( -4.690 1.058 0.000) 4.808 26.054 ( 4.824 -0.760 0.000) 4.884 26.260 ( -5.516 -1.332 0.000) 5.674 26.946 ( 4.065 -12.190 0.000) 12.850 26.964 ( 1.495 -5.516 0.000) 5.715 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -6.481 -0.909 0.000) 6.545 0.682 ( 6.481 -0.909 0.000) 6.545 0.908 ( -13.908 -0.788 0.000) 13.930 0.908 ( 13.908 -0.788 0.000) 13.930 1.117 ( -5.207 -0.851 0.000) 5.276 1.117 ( 5.207 -0.851 0.000) 5.276 1.265 ( -3.674 10.552 0.000) 11.174 1.265 ( 3.674 10.552 0.000) 11.174 1.561 ( -5.766 6.665 0.000) 8.813 1.561 ( 5.766 6.665 0.000) 8.813 1.742 ( -2.916 -3.463 0.000) 4.527 1.742 ( 2.916 -3.463 0.000) 4.527 1.797 ( -6.776 -0.065 0.000) 6.776 1.797 ( 6.776 -0.065 0.000) 6.776 1.996 ( -0.237 5.246 0.000) 5.252 1.996 ( 0.237 5.246 0.000) 5.252 2.222 ( -2.925 -2.561 0.000) 3.888 2.222 ( 2.925 -2.561 0.000) 3.888 2.356 ( -6.524 3.774 0.000) 7.537 2.356 ( 6.524 3.774 0.000) 7.537 2.653 ( -5.510 2.390 0.000) 6.006 2.653 ( 5.510 2.390 0.000) 6.006 2.687 ( -4.115 0.164 0.000) 4.118 2.687 ( 4.115 0.164 0.000) 4.118 3.036 ( -3.444 -0.494 0.000) 3.479 3.036 ( 3.444 -0.494 0.000) 3.479 3.105 ( -2.006 0.454 0.000) 2.056 3.105 ( 2.006 0.454 0.000) 2.056 3.287 ( -2.018 1.420 0.000) 2.468 3.287 ( 2.018 1.420 0.000) 2.468 3.395 ( -2.501 4.031 0.000) 4.744 3.395 ( 2.501 4.031 0.000) 4.744 3.640 ( -0.584 1.542 0.000) 1.649 3.640 ( 0.584 1.542 0.000) 1.649 4.377 ( -4.678 -11.461 0.000) 12.379 4.377 ( 4.678 -11.461 0.000) 12.379 9.151 ( -1.711 -0.736 0.000) 1.863 9.151 ( 1.711 -0.736 0.000) 1.863 9.260 ( -0.984 0.364 0.000) 1.049 9.260 ( 0.984 0.364 0.000) 1.049 9.379 ( -2.723 2.351 0.000) 3.597 9.379 ( 2.723 2.351 0.000) 3.597 9.419 ( -3.165 -0.398 0.000) 3.190 9.419 ( 3.165 -0.398 0.000) 3.190 11.126 ( -1.909 1.713 0.000) 2.565 11.126 ( 1.909 1.713 0.000) 2.565 11.458 ( -0.513 -1.246 0.000) 1.348 11.458 ( 0.513 -1.246 0.000) 1.348 11.538 ( -0.251 1.119 0.000) 1.146 11.538 ( 0.251 1.119 0.000) 1.146 11.743 ( -3.897 -0.191 0.000) 3.902 11.743 ( 3.897 -0.191 0.000) 3.902 12.156 ( -4.434 -0.360 0.000) 4.448 12.156 ( 4.434 -0.360 0.000) 4.448 12.366 ( -1.855 -5.036 0.000) 5.367 12.366 ( 1.855 -5.036 0.000) 5.367 23.820 ( -0.181 0.189 0.000) 0.262 23.820 ( 0.181 0.189 0.000) 0.262 23.888 ( -0.014 -0.354 0.000) 0.354 23.888 ( 0.014 -0.354 0.000) 0.354 25.157 ( -2.668 8.180 0.000) 8.605 25.157 ( 2.668 8.180 0.000) 8.605 25.378 ( -0.820 2.127 0.000) 2.279 25.378 ( 0.820 2.127 0.000) 2.279 25.503 ( -0.944 0.417 0.000) 1.032 25.503 ( 0.944 0.417 0.000) 1.032 25.883 ( -4.711 1.358 0.000) 4.902 25.883 ( 4.711 1.358 0.000) 4.902 26.154 ( -5.810 -0.890 0.000) 5.877 26.154 ( 5.810 -0.890 0.000) 5.877 26.979 ( -0.149 -7.925 0.000) 7.927 26.979 ( 0.149 -7.925 0.000) 7.927 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 14.356 0.000) 14.356 0.731 ( 0.000 19.556 0.000) 19.556 0.939 ( 0.000 5.294 0.000) 5.294 1.078 ( 0.000 16.179 0.000) 16.179 1.105 ( 0.000 -5.873 0.000) 5.873 1.272 ( 0.000 -4.116 0.000) 4.116 1.344 ( 0.000 0.833 0.000) 0.833 1.424 ( 0.000 1.754 0.000) 1.754 1.678 ( 0.000 -8.413 0.000) 8.413 1.695 ( 0.000 3.202 0.000) 3.202 1.806 ( 0.000 15.381 0.000) 15.381 1.815 ( 0.000 4.109 0.000) 4.109 1.828 ( 0.000 3.833 0.000) 3.833 1.981 ( 0.000 3.001 0.000) 3.001 1.994 ( 0.000 -1.068 0.000) 1.068 2.057 ( 0.000 0.393 0.000) 0.393 2.288 ( 0.000 -4.472 0.000) 4.472 2.311 ( 0.000 8.406 0.000) 8.406 2.410 ( 0.000 -3.231 0.000) 3.231 2.486 ( 0.000 -6.207 0.000) 6.207 2.493 ( 0.000 3.414 0.000) 3.414 2.497 ( 0.000 -4.864 0.000) 4.864 2.586 ( 0.000 1.400 0.000) 1.400 2.797 ( 0.000 -9.394 0.000) 9.394 2.993 ( 0.000 3.671 0.000) 3.671 3.045 ( 0.000 1.893 0.000) 1.893 3.101 ( 0.000 -0.407 0.000) 0.407 3.107 ( 0.000 -0.647 0.000) 0.647 3.295 ( 0.000 2.197 0.000) 2.197 3.366 ( 0.000 5.225 0.000) 5.225 3.533 ( 0.000 7.688 0.000) 7.688 3.621 ( 0.000 -2.400 0.000) 2.400 3.702 ( 0.000 0.812 0.000) 0.812 3.828 ( 0.000 -2.112 0.000) 2.112 3.953 ( 0.000 -9.537 0.000) 9.537 3.982 ( 0.000 -5.656 0.000) 5.656 9.081 ( 0.000 -0.404 0.000) 0.404 9.195 ( 0.000 -0.240 0.000) 0.240 9.204 ( 0.000 -2.533 0.000) 2.533 9.225 ( 0.000 -0.255 0.000) 0.255 9.282 ( 0.000 1.421 0.000) 1.421 9.462 ( 0.000 4.079 0.000) 4.079 9.514 ( 0.000 -4.006 0.000) 4.006 9.524 ( 0.000 2.644 0.000) 2.644 11.128 ( 0.000 3.213 0.000) 3.213 11.430 ( 0.000 -2.849 0.000) 2.849 11.475 ( 0.000 -1.066 0.000) 1.066 11.481 ( 0.000 -0.964 0.000) 0.964 11.583 ( 0.000 2.154 0.000) 2.154 11.622 ( 0.000 2.159 0.000) 2.159 11.657 ( 0.000 -0.243 0.000) 0.243 11.807 ( 0.000 0.471 0.000) 0.471 11.832 ( 0.000 -2.339 0.000) 2.339 11.963 ( 0.000 -0.933 0.000) 0.933 12.308 ( 0.000 -1.241 0.000) 1.241 12.322 ( 0.000 -1.535 0.000) 1.535 23.850 ( 0.000 -0.056 0.000) 0.056 23.852 ( 0.000 -0.045 0.000) 0.045 23.854 ( 0.000 0.267 0.000) 0.267 23.864 ( 0.000 -0.174 0.000) 0.174 25.184 ( 0.000 4.317 0.000) 4.317 25.366 ( 0.000 1.090 0.000) 1.090 25.399 ( 0.000 0.515 0.000) 0.515 25.463 ( 0.000 0.016 0.000) 0.016 25.588 ( 0.000 3.329 0.000) 3.329 25.838 ( 0.000 4.589 0.000) 4.589 25.922 ( 0.000 -1.438 0.000) 1.438 26.043 ( 0.000 -0.928 0.000) 0.928 26.072 ( 0.000 -2.305 0.000) 2.305 26.242 ( 0.000 -1.153 0.000) 1.153 26.350 ( 0.000 0.454 0.000) 0.454 26.816 ( 0.000 -5.776 0.000) 5.776 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 1.959 11.597 0.000) 11.761 0.700 ( -2.159 16.381 0.000) 16.522 0.868 ( -6.059 2.407 0.000) 6.520 1.117 ( 0.172 6.796 0.000) 6.798 1.123 ( 0.848 -5.767 0.000) 5.829 1.221 ( -1.712 -1.454 0.000) 2.247 1.366 ( 0.362 5.480 0.000) 5.492 1.471 ( 3.900 4.353 0.000) 5.845 1.579 ( -7.114 1.488 0.000) 7.268 1.679 ( 0.250 -7.144 0.000) 7.148 1.740 ( -0.976 13.478 0.000) 13.513 1.801 ( -2.399 4.565 0.000) 5.157 1.939 ( -2.928 5.320 0.000) 6.072 1.941 ( -5.668 -1.611 0.000) 5.892 2.014 ( 10.329 3.752 0.000) 10.990 2.067 ( 1.435 -0.970 0.000) 1.732 2.249 ( -3.740 -1.933 0.000) 4.210 2.269 ( -3.725 7.170 0.000) 8.080 2.372 ( -3.270 -3.960 0.000) 5.136 2.472 ( 0.004 -0.722 0.000) 0.722 2.525 ( 3.765 -1.646 0.000) 4.109 2.554 ( 3.108 0.167 0.000) 3.112 2.656 ( 5.601 0.696 0.000) 5.644 2.809 ( 1.047 -7.840 0.000) 7.910 2.999 ( -0.589 3.127 0.000) 3.182 3.049 ( 0.323 1.342 0.000) 1.380 3.087 ( 0.198 -0.334 0.000) 0.388 3.095 ( -0.536 -0.290 0.000) 0.610 3.338 ( -2.281 5.896 0.000) 6.322 3.342 ( 3.765 2.199 0.000) 4.360 3.538 ( -0.207 5.567 0.000) 5.571 3.596 ( -8.856 2.209 0.000) 9.127 3.626 ( 0.822 -0.767 0.000) 1.124 3.772 ( -3.461 1.766 0.000) 3.885 4.009 ( 2.557 -7.057 0.000) 7.506 4.038 ( 5.083 -14.086 0.000) 14.975 9.088 ( 0.783 -0.376 0.000) 0.869 9.193 ( -0.288 -0.053 0.000) 0.293 9.212 ( 0.845 -2.472 0.000) 2.612 9.234 ( 0.538 0.058 0.000) 0.541 9.304 ( 2.528 0.977 0.000) 2.710 9.452 ( -0.980 3.747 0.000) 3.873 9.492 ( -2.149 -3.578 0.000) 4.174 9.512 ( -1.222 2.617 0.000) 2.888 11.132 ( 0.473 3.118 0.000) 3.154 11.379 ( -8.633 1.651 0.000) 8.790 11.430 ( -0.045 -2.739 0.000) 2.739 11.455 ( -1.959 -1.121 0.000) 2.257 11.578 ( -0.462 2.081 0.000) 2.131 11.584 ( -0.887 2.105 0.000) 2.284 11.653 ( 1.409 2.181 0.000) 2.597 11.818 ( -1.500 -2.240 0.000) 2.695 11.975 ( 10.030 -4.638 0.000) 11.051 11.993 ( 3.831 -1.441 0.000) 4.093 12.277 ( -2.514 -0.809 0.000) 2.641 12.329 ( -0.126 -2.295 0.000) 2.298 23.837 ( -0.643 0.246 0.000) 0.689 23.846 ( -0.614 0.331 0.000) 0.698 23.865 ( 0.674 -0.331 0.000) 0.751 23.871 ( 0.418 -0.259 0.000) 0.492 25.199 ( 1.691 4.742 0.000) 5.034 25.379 ( 1.343 1.433 0.000) 1.964 25.402 ( 0.236 0.795 0.000) 0.829 25.471 ( 0.792 0.245 0.000) 0.829 25.578 ( -1.121 3.085 0.000) 3.282 25.748 ( -13.414 6.531 0.000) 14.920 25.852 ( -1.453 3.810 0.000) 4.077 25.978 ( 2.570 1.385 0.000) 2.919 26.044 ( -2.824 -2.132 0.000) 3.538 26.323 ( -2.846 0.781 0.000) 2.952 26.479 ( 13.914 -10.270 0.000) 17.294 26.818 ( 0.135 -6.498 0.000) 6.499 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.176 9.107 0.000) 9.108 0.702 ( 1.836 1.524 0.000) 2.386 0.785 ( 0.497 3.789 0.000) 3.822 1.030 ( -5.748 -4.195 0.000) 7.116 1.112 ( -2.073 -4.523 0.000) 4.975 1.173 ( -7.664 0.353 0.000) 7.672 1.385 ( 3.858 8.820 0.000) 9.627 1.512 ( -0.843 4.305 0.000) 4.386 1.541 ( 2.074 1.436 0.000) 2.523 1.685 ( -0.347 -0.398 0.000) 0.528 1.741 ( 1.206 8.982 0.000) 9.063 1.775 ( 0.404 2.960 0.000) 2.987 1.825 ( -4.995 -2.063 0.000) 5.405 1.889 ( -2.234 8.810 0.000) 9.089 2.110 ( 3.225 -0.133 0.000) 3.228 2.118 ( -1.298 -2.098 0.000) 2.467 2.167 ( -4.634 2.352 0.000) 5.197 2.260 ( 2.534 9.877 0.000) 10.197 2.304 ( -1.113 -2.599 0.000) 2.827 2.474 ( -0.912 -1.373 0.000) 1.648 2.599 ( 2.036 1.973 0.000) 2.835 2.605 ( 4.044 -1.889 0.000) 4.464 2.736 ( 2.476 3.653 0.000) 4.413 2.816 ( -0.885 -2.499 0.000) 2.651 2.984 ( 0.435 0.568 0.000) 0.715 3.051 ( -0.637 -0.933 0.000) 1.130 3.090 ( 0.527 1.030 0.000) 1.157 3.120 ( 1.578 0.501 0.000) 1.656 3.311 ( 0.044 4.990 0.000) 4.990 3.400 ( 1.377 3.263 0.000) 3.541 3.454 ( -4.865 3.083 0.000) 5.759 3.516 ( -1.971 3.159 0.000) 3.723 3.649 ( 1.376 1.230 0.000) 1.846 3.712 ( -2.853 1.549 0.000) 3.246 4.062 ( 2.791 -9.960 0.000) 10.343 4.100 ( 1.548 -14.887 0.000) 14.968 9.109 ( 1.495 -0.281 0.000) 1.522 9.175 ( -1.594 0.032 0.000) 1.594 9.234 ( 1.365 -2.157 0.000) 2.553 9.248 ( 0.906 0.133 0.000) 0.916 9.363 ( 3.501 1.099 0.000) 3.670 9.429 ( -1.280 2.642 0.000) 2.936 9.446 ( -2.399 -2.167 0.000) 3.233 9.480 ( -2.309 2.454 0.000) 3.369 11.146 ( 1.082 2.932 0.000) 3.126 11.244 ( -5.333 3.145 0.000) 6.191 11.427 ( -0.202 -2.432 0.000) 2.441 11.429 ( -0.774 -1.527 0.000) 1.712 11.570 ( -0.308 1.916 0.000) 1.940 11.575 ( -0.380 1.831 0.000) 1.870 11.688 ( 2.223 0.702 0.000) 2.332 11.780 ( -2.436 -1.817 0.000) 3.039 12.062 ( 4.491 -0.701 0.000) 4.545 12.147 ( 7.291 -6.235 0.000) 9.593 12.221 ( -3.593 -0.557 0.000) 3.636 12.310 ( -1.992 -3.511 0.000) 4.037 23.828 ( -0.256 0.447 0.000) 0.515 23.835 ( -0.525 0.455 0.000) 0.695 23.875 ( 0.387 -0.504 0.000) 0.635 23.877 ( 0.237 -0.431 0.000) 0.492 25.247 ( 3.447 5.790 0.000) 6.738 25.396 ( -1.712 2.289 0.000) 2.858 25.412 ( 2.124 2.483 0.000) 3.267 25.487 ( 0.794 1.858 0.000) 2.020 25.539 ( -7.622 8.225 0.000) 11.214 25.550 ( -1.822 2.376 0.000) 2.994 25.856 ( 1.381 1.593 0.000) 2.108 25.976 ( -4.199 -1.537 0.000) 4.472 26.053 ( 5.000 1.512 0.000) 5.224 26.251 ( -4.812 1.339 0.000) 4.995 26.677 ( 7.665 -12.179 0.000) 14.391 26.813 ( -0.924 -8.276 0.000) 8.328 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.603 1.612 0.000) 1.721 0.689 ( 0.603 1.612 0.000) 1.721 0.908 ( -8.693 -0.597 0.000) 8.714 0.908 ( 8.693 -0.597 0.000) 8.714 1.077 ( -0.057 -0.984 0.000) 0.986 1.077 ( 0.057 -0.984 0.000) 0.986 1.456 ( -3.779 4.366 0.000) 5.774 1.456 ( 3.779 4.366 0.000) 5.774 1.619 ( -5.437 -0.840 0.000) 5.501 1.619 ( 5.437 -0.840 0.000) 5.501 1.768 ( -1.205 6.354 0.000) 6.468 1.768 ( 1.205 6.354 0.000) 6.468 1.839 ( -3.629 4.180 0.000) 5.535 1.839 ( 3.629 4.180 0.000) 5.535 2.099 ( -1.490 1.460 0.000) 2.086 2.099 ( 1.490 1.460 0.000) 2.086 2.189 ( -4.980 2.535 0.000) 5.588 2.189 ( 4.980 2.535 0.000) 5.588 2.410 ( -5.928 1.648 0.000) 6.153 2.410 ( 5.928 1.648 0.000) 6.153 2.635 ( -1.102 -1.400 0.000) 1.782 2.635 ( 1.102 -1.400 0.000) 1.782 2.776 ( -2.714 4.141 0.000) 4.951 2.776 ( 2.714 4.141 0.000) 4.951 3.018 ( -2.469 -1.290 0.000) 2.786 3.018 ( 2.469 -1.290 0.000) 2.786 3.116 ( -1.590 1.297 0.000) 2.052 3.116 ( 1.590 1.297 0.000) 2.052 3.346 ( -3.452 3.192 0.000) 4.702 3.346 ( 3.452 3.192 0.000) 4.702 3.470 ( -2.788 2.795 0.000) 3.948 3.470 ( 2.788 2.795 0.000) 3.948 3.673 ( -1.434 1.441 0.000) 2.033 3.673 ( 1.434 1.441 0.000) 2.033 4.101 ( -1.229 -12.876 0.000) 12.935 4.101 ( 1.229 -12.876 0.000) 12.935 9.141 ( -1.916 -0.111 0.000) 1.919 9.141 ( 1.916 -0.111 0.000) 1.919 9.254 ( -0.494 -1.060 0.000) 1.169 9.254 ( 0.494 -1.060 0.000) 1.169 9.414 ( -0.543 0.530 0.000) 0.759 9.414 ( 0.543 0.530 0.000) 0.759 9.431 ( -2.362 1.773 0.000) 2.953 9.431 ( 2.362 1.773 0.000) 2.953 11.176 ( -2.373 2.929 0.000) 3.770 11.176 ( 2.373 2.929 0.000) 3.770 11.424 ( -0.084 -2.006 0.000) 2.008 11.424 ( 0.084 -2.006 0.000) 2.008 11.569 ( -0.187 1.798 0.000) 1.808 11.569 ( 0.187 1.798 0.000) 1.808 11.733 ( -2.569 -0.830 0.000) 2.699 11.733 ( 2.569 -0.830 0.000) 2.699 12.146 ( -4.428 -0.548 0.000) 4.462 12.146 ( 4.428 -0.548 0.000) 4.462 12.253 ( -4.332 -4.994 0.000) 6.610 12.253 ( 4.332 -4.994 0.000) 6.610 23.828 ( -0.197 0.510 0.000) 0.547 23.828 ( 0.197 0.510 0.000) 0.547 23.879 ( -0.051 -0.533 0.000) 0.535 23.879 ( 0.051 -0.533 0.000) 0.535 25.325 ( -4.860 6.170 0.000) 7.854 25.325 ( 4.860 6.170 0.000) 7.854 25.453 ( -2.420 4.905 0.000) 5.470 25.453 ( 2.420 4.905 0.000) 5.470 25.516 ( -1.670 1.142 0.000) 2.023 25.516 ( 1.670 1.142 0.000) 2.023 25.902 ( -3.529 -0.345 0.000) 3.546 25.902 ( 3.529 -0.345 0.000) 3.546 26.153 ( -5.589 1.617 0.000) 5.818 26.153 ( 5.589 1.617 0.000) 5.818 26.776 ( -3.399 -10.487 0.000) 11.024 26.776 ( 3.399 -10.487 0.000) 11.024 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 11.291 0.000) 11.291 1.032 ( 0.000 -1.226 0.000) 1.226 1.035 ( 0.000 4.435 0.000) 4.435 1.111 ( 0.000 10.053 0.000) 10.053 1.172 ( 0.000 -1.166 0.000) 1.166 1.262 ( 0.000 9.201 0.000) 9.201 1.437 ( 0.000 -7.290 0.000) 7.290 1.529 ( 0.000 1.859 0.000) 1.859 1.554 ( 0.000 12.431 0.000) 12.431 1.714 ( 0.000 1.274 0.000) 1.274 1.853 ( 0.000 0.296 0.000) 0.296 1.861 ( 0.000 -4.100 0.000) 4.100 1.968 ( 0.000 -0.554 0.000) 0.554 2.022 ( 0.000 0.695 0.000) 0.695 2.045 ( 0.000 -1.842 0.000) 1.842 2.063 ( 0.000 -1.303 0.000) 1.303 2.158 ( 0.000 -11.242 0.000) 11.242 2.206 ( 0.000 1.211 0.000) 1.211 2.339 ( 0.000 -3.722 0.000) 3.722 2.466 ( 0.000 0.738 0.000) 0.738 2.521 ( 0.000 -0.598 0.000) 0.598 2.556 ( 0.000 15.898 0.000) 15.898 2.578 ( 0.000 -10.886 0.000) 10.886 2.809 ( 0.000 11.000 0.000) 11.000 3.073 ( 0.000 -2.879 0.000) 2.879 3.075 ( 0.000 2.882 0.000) 2.882 3.082 ( 0.000 1.367 0.000) 1.367 3.098 ( 0.000 0.126 0.000) 0.126 3.327 ( 0.000 1.484 0.000) 1.484 3.463 ( 0.000 3.864 0.000) 3.864 3.570 ( 0.000 -1.819 0.000) 1.819 3.631 ( 0.000 -9.356 0.000) 9.356 3.689 ( 0.000 6.153 0.000) 6.153 3.786 ( 0.000 -1.624 0.000) 1.624 3.790 ( 0.000 -3.267 0.000) 3.267 3.881 ( 0.000 -4.033 0.000) 4.033 9.083 ( 0.000 0.636 0.000) 0.636 9.152 ( 0.000 -2.388 0.000) 2.388 9.196 ( 0.000 0.318 0.000) 0.318 9.217 ( 0.000 -0.448 0.000) 0.448 9.315 ( 0.000 1.787 0.000) 1.787 9.429 ( 0.000 -3.760 0.000) 3.760 9.538 ( 0.000 2.930 0.000) 2.930 9.569 ( 0.000 1.438 0.000) 1.438 11.203 ( 0.000 3.756 0.000) 3.756 11.362 ( 0.000 -3.549 0.000) 3.549 11.457 ( 0.000 -0.603 0.000) 0.603 11.461 ( 0.000 -0.782 0.000) 0.782 11.637 ( 0.000 2.912 0.000) 2.912 11.655 ( 0.000 0.856 0.000) 0.856 11.657 ( 0.000 0.169 0.000) 0.169 11.773 ( 0.000 -3.147 0.000) 3.147 11.832 ( 0.000 1.913 0.000) 1.913 11.932 ( 0.000 -2.019 0.000) 2.019 12.286 ( 0.000 -0.720 0.000) 0.720 12.294 ( 0.000 -1.070 0.000) 1.070 23.849 ( 0.000 0.012 0.000) 0.012 23.851 ( 0.000 -0.041 0.000) 0.041 23.859 ( 0.000 0.184 0.000) 0.184 23.862 ( 0.000 -0.051 0.000) 0.051 25.272 ( 0.000 3.853 0.000) 3.853 25.372 ( 0.000 -0.601 0.000) 0.601 25.415 ( 0.000 0.930 0.000) 0.930 25.456 ( 0.000 -0.646 0.000) 0.646 25.684 ( 0.000 5.634 0.000) 5.634 25.901 ( 0.000 -0.417 0.000) 0.417 25.908 ( 0.000 1.187 0.000) 1.187 25.969 ( 0.000 -6.666 0.000) 6.666 26.054 ( 0.000 2.622 0.000) 2.622 26.203 ( 0.000 -2.602 0.000) 2.602 26.415 ( 0.000 5.102 0.000) 5.102 26.682 ( 0.000 -6.687 0.000) 6.687 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -6.200 7.506 0.000) 9.736 0.909 ( -6.294 1.801 0.000) 6.547 1.008 ( -8.460 9.378 0.000) 12.630 1.061 ( 1.505 1.989 0.000) 2.494 1.095 ( -7.555 -2.049 0.000) 7.828 1.272 ( -0.391 7.570 0.000) 7.580 1.477 ( -1.367 -9.494 0.000) 9.592 1.581 ( -2.263 8.278 0.000) 8.582 1.591 ( 9.231 4.217 0.000) 10.149 1.621 ( -3.102 2.685 0.000) 4.103 1.813 ( -4.580 -4.948 0.000) 6.742 1.845 ( -3.353 -0.526 0.000) 3.394 1.933 ( -3.072 2.654 0.000) 4.059 1.998 ( 1.940 -6.219 0.000) 6.515 2.066 ( 3.104 0.436 0.000) 3.135 2.122 ( 2.332 8.878 0.000) 9.179 2.194 ( 3.531 -6.971 0.000) 7.814 2.232 ( 1.202 1.614 0.000) 2.012 2.400 ( 5.582 -5.208 0.000) 7.635 2.454 ( -0.923 -0.866 0.000) 1.266 2.542 ( -1.327 14.707 0.000) 14.767 2.549 ( 2.891 -1.453 0.000) 3.235 2.621 ( 4.066 -8.889 0.000) 9.775 2.825 ( 1.442 9.061 0.000) 9.175 3.030 ( -3.693 -1.684 0.000) 4.059 3.075 ( -0.901 1.066 0.000) 1.396 3.096 ( -0.167 0.146 0.000) 0.222 3.104 ( 2.707 2.181 0.000) 3.477 3.369 ( 3.684 0.657 0.000) 3.742 3.453 ( -1.057 4.630 0.000) 4.749 3.564 ( -5.790 -6.187 0.000) 8.474 3.566 ( -0.553 -1.262 0.000) 1.378 3.691 ( 0.319 5.214 0.000) 5.223 3.766 ( -2.246 -1.531 0.000) 2.718 3.822 ( 2.698 -5.074 0.000) 5.746 3.885 ( 0.353 -4.758 0.000) 4.771 9.091 ( 0.854 0.665 0.000) 1.083 9.160 ( 0.918 -2.383 0.000) 2.553 9.199 ( 0.039 0.577 0.000) 0.579 9.229 ( 0.895 -0.481 0.000) 1.016 9.327 ( 1.627 1.277 0.000) 2.069 9.418 ( -1.011 -3.232 0.000) 3.386 9.523 ( -1.588 2.767 0.000) 3.190 9.556 ( -1.421 1.308 0.000) 1.931 11.206 ( 0.352 3.735 0.000) 3.751 11.364 ( 0.186 -3.469 0.000) 3.473 11.399 ( -5.327 0.605 0.000) 5.361 11.431 ( -2.375 -1.062 0.000) 2.602 11.628 ( -0.664 2.029 0.000) 2.135 11.630 ( -0.659 2.803 0.000) 2.880 11.681 ( 0.657 0.270 0.000) 0.710 11.761 ( -1.228 -3.029 0.000) 3.268 11.916 ( 7.294 -0.805 0.000) 7.338 11.965 ( 3.376 -1.637 0.000) 3.752 12.264 ( -2.086 -0.372 0.000) 2.119 12.287 ( -1.112 -1.577 0.000) 1.930 23.843 ( -0.305 0.329 0.000) 0.449 23.853 ( -0.403 0.355 0.000) 0.537 23.858 ( 0.376 -0.341 0.000) 0.507 23.865 ( 0.174 -0.233 0.000) 0.290 25.293 ( 2.220 3.952 0.000) 4.533 25.391 ( 1.959 -0.418 0.000) 2.003 25.423 ( 0.799 1.135 0.000) 1.388 25.468 ( 1.151 -0.574 0.000) 1.286 25.670 ( -1.453 5.555 0.000) 5.742 25.833 ( -7.180 2.353 0.000) 7.556 25.881 ( -1.806 -0.245 0.000) 1.823 25.948 ( -2.161 -6.341 0.000) 6.699 26.060 ( 2.460 5.320 0.000) 5.861 26.306 ( 8.006 -6.746 0.000) 10.469 26.392 ( -2.450 5.247 0.000) 5.791 26.672 ( -1.226 -7.201 0.000) 7.304 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -4.744 2.289 0.000) 5.267 0.850 ( -1.917 -0.261 0.000) 1.935 0.854 ( -7.718 5.398 0.000) 9.419 0.941 ( -7.761 -3.014 0.000) 8.326 1.091 ( 1.743 4.233 0.000) 4.578 1.220 ( -4.897 5.485 0.000) 7.353 1.435 ( -2.061 -8.167 0.000) 8.423 1.480 ( -4.484 0.383 0.000) 4.500 1.618 ( -0.124 3.644 0.000) 3.646 1.700 ( -2.614 -0.526 0.000) 2.667 1.770 ( 2.953 -2.489 0.000) 3.862 1.798 ( -1.315 -3.482 0.000) 3.722 1.906 ( 2.256 8.874 0.000) 9.156 2.043 ( 1.791 0.881 0.000) 1.996 2.142 ( 0.041 11.635 0.000) 11.635 2.148 ( 5.134 2.321 0.000) 5.634 2.226 ( -1.599 3.443 0.000) 3.796 2.254 ( 2.158 -3.306 0.000) 3.948 2.444 ( -0.041 -1.626 0.000) 1.626 2.474 ( -0.220 2.209 0.000) 2.220 2.543 ( 3.522 4.716 0.000) 5.886 2.605 ( 2.267 -1.495 0.000) 2.715 2.708 ( 4.911 -6.420 0.000) 8.083 2.839 ( -0.821 2.880 0.000) 2.994 2.979 ( -0.693 0.008 0.000) 0.693 3.048 ( -1.990 0.711 0.000) 2.113 3.098 ( 0.677 -0.556 0.000) 0.876 3.147 ( 1.010 0.389 0.000) 1.083 3.429 ( -1.284 5.506 0.000) 5.654 3.430 ( 1.150 -0.153 0.000) 1.160 3.469 ( -1.912 -1.122 0.000) 2.217 3.545 ( -1.682 -0.108 0.000) 1.686 3.699 ( 0.411 3.316 0.000) 3.341 3.724 ( -1.810 0.528 0.000) 1.886 3.865 ( 1.753 -7.092 0.000) 7.306 3.890 ( 0.123 -6.270 0.000) 6.271 9.114 ( 1.643 0.750 0.000) 1.805 9.185 ( 1.707 -2.338 0.000) 2.895 9.185 ( -1.562 0.875 0.000) 1.791 9.239 ( -0.154 -1.004 0.000) 1.016 9.378 ( 3.522 0.460 0.000) 3.552 9.408 ( 0.529 -1.316 0.000) 1.418 9.483 ( -2.655 2.225 0.000) 3.464 9.517 ( -2.798 0.937 0.000) 2.951 11.217 ( 0.926 3.645 0.000) 3.761 11.304 ( -4.359 2.503 0.000) 5.027 11.368 ( 0.260 -3.186 0.000) 3.197 11.393 ( -1.528 -1.853 0.000) 2.401 11.617 ( -0.571 2.529 0.000) 2.593 11.618 ( -0.473 2.196 0.000) 2.247 11.690 ( 0.535 -0.612 0.000) 0.813 11.733 ( -1.672 -2.595 0.000) 3.087 12.044 ( 5.106 -0.917 0.000) 5.188 12.056 ( 7.004 -2.449 0.000) 7.420 12.212 ( -3.514 -0.175 0.000) 3.518 12.248 ( -3.109 -2.222 0.000) 3.822 23.839 ( -0.079 0.574 0.000) 0.579 23.846 ( -0.373 0.556 0.000) 0.670 23.863 ( 0.256 -0.548 0.000) 0.605 23.867 ( 0.038 -0.459 0.000) 0.460 25.350 ( 3.703 3.945 0.000) 5.411 25.436 ( 0.208 1.777 0.000) 1.789 25.440 ( 3.173 -0.049 0.000) 3.174 25.493 ( 1.280 -0.494 0.000) 1.372 25.635 ( -2.048 5.592 0.000) 5.955 25.695 ( -6.847 5.783 0.000) 8.963 25.850 ( -1.068 -1.857 0.000) 2.142 25.898 ( -2.945 -5.465 0.000) 6.208 26.134 ( 5.092 5.722 0.000) 7.660 26.328 ( -4.441 5.549 0.000) 7.107 26.449 ( 7.098 -9.434 0.000) 11.806 26.634 ( -2.907 -8.410 0.000) 8.898 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -4.324 2.248 0.000) 4.874 0.735 ( 4.324 2.248 0.000) 4.874 0.847 ( -2.121 -3.936 0.000) 4.471 0.847 ( 2.121 -3.936 0.000) 4.471 1.135 ( -3.467 5.788 0.000) 6.747 1.135 ( 3.467 5.788 0.000) 6.747 1.425 ( -1.292 -5.037 0.000) 5.200 1.425 ( 1.292 -5.037 0.000) 5.200 1.640 ( -2.586 1.744 0.000) 3.119 1.640 ( 2.586 1.744 0.000) 3.119 1.786 ( -0.075 -3.852 0.000) 3.853 1.786 ( 0.075 -3.852 0.000) 3.853 2.006 ( -5.591 9.386 0.000) 10.925 2.006 ( 5.591 9.386 0.000) 10.925 2.170 ( -2.795 7.636 0.000) 8.131 2.170 ( 2.795 7.636 0.000) 8.131 2.245 ( -3.192 -0.309 0.000) 3.207 2.245 ( 3.192 -0.309 0.000) 3.207 2.451 ( -0.905 1.401 0.000) 1.668 2.451 ( 0.905 1.401 0.000) 1.668 2.608 ( -2.051 -0.369 0.000) 2.084 2.608 ( 2.051 -0.369 0.000) 2.084 2.790 ( -3.849 -2.964 0.000) 4.858 2.790 ( 3.849 -2.964 0.000) 4.858 3.004 ( -2.486 0.834 0.000) 2.622 3.004 ( 2.486 0.834 0.000) 2.622 3.128 ( -2.256 -1.627 0.000) 2.781 3.128 ( 2.256 -1.627 0.000) 2.781 3.415 ( -0.013 3.733 0.000) 3.733 3.415 ( 0.013 3.733 0.000) 3.733 3.505 ( -2.604 0.485 0.000) 2.649 3.505 ( 2.604 0.485 0.000) 2.649 3.705 ( -0.433 1.964 0.000) 2.011 3.705 ( 0.433 1.964 0.000) 2.011 3.886 ( -0.623 -7.352 0.000) 7.378 3.886 ( 0.623 -7.352 0.000) 7.378 9.149 ( -2.086 0.863 0.000) 2.257 9.149 ( 2.086 0.863 0.000) 2.257 9.219 ( -1.772 -2.036 0.000) 2.699 9.219 ( 1.772 -2.036 0.000) 2.699 9.432 ( -2.638 1.071 0.000) 2.847 9.432 ( 2.638 1.071 0.000) 2.847 9.456 ( -3.682 0.444 0.000) 3.709 9.456 ( 3.682 0.444 0.000) 3.709 11.244 ( -2.190 3.360 0.000) 4.011 11.244 ( 2.190 3.360 0.000) 4.011 11.375 ( -0.564 -2.640 0.000) 2.699 11.375 ( 0.564 -2.640 0.000) 2.699 11.612 ( -0.075 2.266 0.000) 2.267 11.612 ( 0.075 2.266 0.000) 2.267 11.706 ( -1.176 -1.748 0.000) 2.106 11.706 ( 1.176 -1.748 0.000) 2.106 12.136 ( -4.682 -0.338 0.000) 4.694 12.136 ( 4.682 -0.338 0.000) 4.694 12.171 ( -5.281 -2.664 0.000) 5.915 12.171 ( 5.281 -2.664 0.000) 5.915 23.840 ( -0.187 0.648 0.000) 0.675 23.840 ( 0.187 0.648 0.000) 0.675 23.867 ( -0.106 -0.584 0.000) 0.593 23.867 ( 0.106 -0.584 0.000) 0.593 25.414 ( -2.692 3.034 0.000) 4.056 25.414 ( 2.692 3.034 0.000) 4.056 25.494 ( -1.870 -0.522 0.000) 1.942 25.494 ( 1.870 -0.522 0.000) 1.942 25.615 ( -0.968 6.732 0.000) 6.802 25.615 ( 0.968 6.732 0.000) 6.802 25.853 ( -1.487 -3.994 0.000) 4.262 25.853 ( 1.487 -3.994 0.000) 4.262 26.234 ( -5.491 5.757 0.000) 7.955 26.234 ( 5.491 5.757 0.000) 7.955 26.562 ( -5.009 -9.529 0.000) 10.765 26.562 ( 5.009 -9.529 0.000) 10.765 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 -0.882 0.000) 0.882 1.021 ( 0.000 0.882 0.000) 0.882 1.153 ( 0.000 -0.371 0.000) 0.371 1.153 ( 0.000 0.371 0.000) 0.371 1.214 ( 0.000 -11.233 0.000) 11.233 1.214 ( 0.000 11.233 0.000) 11.233 1.616 ( 0.000 -13.255 0.000) 13.255 1.616 ( 0.000 13.255 0.000) 13.255 1.680 ( 0.000 -9.767 0.000) 9.767 1.680 ( 0.000 9.767 0.000) 9.767 1.772 ( 0.000 -7.123 0.000) 7.123 1.772 ( 0.000 7.123 0.000) 7.123 1.925 ( 0.000 -6.809 0.000) 6.809 1.925 ( 0.000 6.809 0.000) 6.809 1.992 ( 0.000 -2.457 0.000) 2.457 1.992 ( 0.000 2.457 0.000) 2.457 2.238 ( 0.000 -5.864 0.000) 5.864 2.238 ( 0.000 5.864 0.000) 5.864 2.350 ( 0.000 -10.047 0.000) 10.047 2.350 ( 0.000 10.047 0.000) 10.047 2.495 ( 0.000 -1.622 0.000) 1.622 2.495 ( 0.000 1.622 0.000) 1.622 2.866 ( 0.000 -9.857 0.000) 9.857 2.866 ( 0.000 9.857 0.000) 9.857 3.058 ( 0.000 -3.894 0.000) 3.894 3.058 ( 0.000 3.894 0.000) 3.894 3.099 ( 0.000 -0.256 0.000) 0.256 3.099 ( 0.000 0.256 0.000) 0.256 3.418 ( 0.000 -8.075 0.000) 8.075 3.418 ( 0.000 8.075 0.000) 8.075 3.528 ( 0.000 -2.346 0.000) 2.346 3.528 ( 0.000 2.346 0.000) 2.346 3.767 ( 0.000 -0.061 0.000) 0.061 3.767 ( 0.000 0.061 0.000) 0.061 3.798 ( 0.000 -4.281 0.000) 4.281 3.798 ( 0.000 4.281 0.000) 4.281 9.108 ( 0.000 -1.700 0.000) 1.700 9.108 ( 0.000 1.700 0.000) 1.700 9.206 ( 0.000 -0.564 0.000) 0.564 9.206 ( 0.000 0.564 0.000) 0.564 9.361 ( 0.000 -2.680 0.000) 2.680 9.361 ( 0.000 2.680 0.000) 2.680 9.578 ( 0.000 -0.737 0.000) 0.737 9.578 ( 0.000 0.737 0.000) 0.737 11.283 ( 0.000 -3.850 0.000) 3.850 11.283 ( 0.000 3.850 0.000) 3.850 11.451 ( 0.000 -0.122 0.000) 0.122 11.451 ( 0.000 0.122 0.000) 0.122 11.661 ( 0.000 -0.135 0.000) 0.135 11.661 ( 0.000 0.135 0.000) 0.135 11.704 ( 0.000 -3.347 0.000) 3.347 11.704 ( 0.000 3.347 0.000) 3.347 11.882 ( 0.000 -2.606 0.000) 2.606 11.882 ( 0.000 2.606 0.000) 2.606 12.280 ( 0.000 -0.171 0.000) 0.171 12.280 ( 0.000 0.171 0.000) 0.171 23.850 ( 0.000 -0.040 0.000) 0.040 23.850 ( 0.000 0.040 0.000) 0.040 23.861 ( 0.000 -0.055 0.000) 0.055 23.861 ( 0.000 0.055 0.000) 0.055 25.340 ( 0.000 -2.457 0.000) 2.457 25.340 ( 0.000 2.457 0.000) 2.457 25.437 ( 0.000 -1.105 0.000) 1.105 25.437 ( 0.000 1.105 0.000) 1.105 25.820 ( 0.000 -7.074 0.000) 7.074 25.820 ( 0.000 7.074 0.000) 7.074 25.905 ( 0.000 -0.617 0.000) 0.617 25.905 ( 0.000 0.617 0.000) 0.617 26.133 ( 0.000 -3.972 0.000) 3.972 26.133 ( 0.000 3.972 0.000) 3.972 26.541 ( 0.000 -6.540 0.000) 6.540 26.541 ( 0.000 6.540 0.000) 6.540 ======================= Grid point 30 (18/80) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -7.775 -0.742 0.000) 7.810 0.925 ( -7.775 0.742 0.000) 7.810 1.073 ( -7.787 -0.427 0.000) 7.799 1.073 ( -7.787 0.427 0.000) 7.799 1.243 ( 1.027 -11.734 0.000) 11.779 1.243 ( 1.027 11.734 0.000) 11.779 1.546 ( -7.701 -12.168 0.000) 14.400 1.546 ( -7.701 12.168 0.000) 14.400 1.693 ( 1.493 -5.348 0.000) 5.553 1.693 ( 1.493 5.348 0.000) 5.553 1.705 ( -2.404 -4.689 0.000) 5.269 1.705 ( -2.404 4.689 0.000) 5.269 2.014 ( 2.457 -4.503 0.000) 5.130 2.014 ( 2.457 4.503 0.000) 5.130 2.038 ( 7.437 -7.560 0.000) 10.605 2.038 ( 7.437 7.560 0.000) 10.605 2.283 ( 4.246 -6.453 0.000) 7.725 2.283 ( 4.246 6.453 0.000) 7.725 2.355 ( 0.282 -8.238 0.000) 8.243 2.355 ( 0.282 8.238 0.000) 8.243 2.525 ( 3.228 -1.074 0.000) 3.403 2.525 ( 3.228 1.074 0.000) 3.403 2.831 ( -3.343 -9.983 0.000) 10.528 2.831 ( -3.343 9.983 0.000) 10.528 3.072 ( 0.750 -5.650 0.000) 5.699 3.072 ( 0.750 5.650 0.000) 5.699 3.093 ( -0.714 -0.559 0.000) 0.907 3.093 ( -0.714 0.559 0.000) 0.907 3.416 ( 0.256 -5.055 0.000) 5.062 3.416 ( 0.256 5.055 0.000) 5.062 3.527 ( -0.137 -2.521 0.000) 2.525 3.527 ( -0.137 2.521 0.000) 2.525 3.765 ( -0.164 -1.429 0.000) 1.438 3.765 ( -0.164 1.429 0.000) 1.438 3.793 ( -0.501 -4.391 0.000) 4.419 3.793 ( -0.501 4.391 0.000) 4.419 9.116 ( 0.905 -1.715 0.000) 1.939 9.116 ( 0.905 1.715 0.000) 1.939 9.215 ( 0.569 -0.834 0.000) 1.009 9.215 ( 0.569 0.834 0.000) 1.009 9.362 ( 0.359 -2.107 0.000) 2.137 9.362 ( 0.359 2.107 0.000) 2.137 9.562 ( -1.688 -0.821 0.000) 1.877 9.562 ( -1.688 0.821 0.000) 1.877 11.286 ( 0.312 -3.831 0.000) 3.844 11.286 ( 0.312 3.831 0.000) 3.844 11.412 ( -3.410 -0.726 0.000) 3.486 11.412 ( -3.410 0.726 0.000) 3.486 11.666 ( 0.137 -1.465 0.000) 1.471 11.666 ( 0.137 1.465 0.000) 1.471 11.694 ( -0.932 -3.218 0.000) 3.350 11.694 ( -0.932 3.218 0.000) 3.350 11.929 ( 4.676 -1.524 0.000) 4.918 11.929 ( 4.676 1.524 0.000) 4.918 12.265 ( -1.686 -0.506 0.000) 1.760 12.265 ( -1.686 0.506 0.000) 1.760 23.850 ( 0.045 -0.343 0.000) 0.346 23.850 ( 0.045 0.343 0.000) 0.346 23.860 ( -0.120 -0.285 0.000) 0.309 23.860 ( -0.120 0.285 0.000) 0.309 25.361 ( 2.204 -2.397 0.000) 3.257 25.361 ( 2.204 2.397 0.000) 3.257 25.448 ( 1.133 -1.192 0.000) 1.644 25.448 ( 1.133 1.192 0.000) 1.644 25.804 ( -1.631 -6.923 0.000) 7.113 25.804 ( -1.631 6.923 0.000) 7.113 25.866 ( -3.671 -1.063 0.000) 3.822 25.866 ( -3.672 1.063 0.000) 3.822 26.177 ( 4.320 -5.753 0.000) 7.195 26.177 ( 4.320 5.753 0.000) 7.195 26.523 ( -2.046 -6.806 0.000) 7.107 26.523 ( -2.046 6.806 0.000) 7.107 ======================= Grid point 32 (19/80) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -4.884 -3.351 0.000) 5.923 0.797 ( -4.884 3.351 0.000) 5.923 0.906 ( -9.164 -0.985 0.000) 9.217 0.906 ( -9.164 0.985 0.000) 9.217 1.247 ( 0.421 -8.983 0.000) 8.993 1.247 ( 0.421 8.983 0.000) 8.993 1.393 ( -7.616 -8.489 0.000) 11.404 1.393 ( -7.616 8.489 0.000) 11.404 1.686 ( -0.147 -4.124 0.000) 4.126 1.686 ( -0.147 4.124 0.000) 4.126 1.712 ( -0.100 -2.066 0.000) 2.068 1.712 ( -0.100 2.066 0.000) 2.068 2.090 ( 5.509 -7.045 0.000) 8.943 2.090 ( 5.509 7.045 0.000) 8.943 2.147 ( 4.096 -6.325 0.000) 7.535 2.147 ( 4.096 6.325 0.000) 7.535 2.356 ( 2.492 -8.294 0.000) 8.660 2.356 ( 2.492 8.294 0.000) 8.660 2.356 ( -0.029 -6.944 0.000) 6.944 2.356 ( -0.029 6.944 0.000) 6.944 2.603 ( 4.693 -2.798 0.000) 5.464 2.603 ( 4.693 2.798 0.000) 5.464 2.758 ( -4.231 -9.133 0.000) 10.066 2.758 ( -4.231 9.133 0.000) 10.066 3.068 ( -0.911 -6.584 0.000) 6.647 3.068 ( -0.911 6.584 0.000) 6.647 3.074 ( -1.187 -1.467 0.000) 1.887 3.074 ( -1.187 1.467 0.000) 1.888 3.441 ( 2.322 -1.469 0.000) 2.748 3.441 ( 2.322 1.469 0.000) 2.748 3.518 ( -1.028 -2.654 0.000) 2.846 3.518 ( -1.028 2.654 0.000) 2.846 3.764 ( 0.048 -3.231 0.000) 3.232 3.764 ( 0.048 3.231 0.000) 3.232 3.781 ( -0.711 -4.436 0.000) 4.493 3.781 ( -0.711 4.436 0.000) 4.493 9.141 ( 1.730 -1.754 0.000) 2.463 9.141 ( 1.730 1.754 0.000) 2.463 9.211 ( -1.200 -1.456 0.000) 1.887 9.211 ( -1.200 1.456 0.000) 1.887 9.389 ( 2.708 -0.626 0.000) 2.780 9.389 ( 2.708 0.626 0.000) 2.780 9.517 ( -3.102 -0.905 0.000) 3.231 9.517 ( -3.102 0.905 0.000) 3.231 11.295 ( 0.676 -3.676 0.000) 3.738 11.295 ( 0.676 3.676 0.000) 3.738 11.352 ( -2.769 -2.097 0.000) 3.473 11.352 ( -2.769 2.097 0.000) 3.473 11.663 ( -0.298 -1.875 0.000) 1.899 11.663 ( -0.298 1.875 0.000) 1.899 11.675 ( -1.026 -2.837 0.000) 3.017 11.675 ( -1.026 2.837 0.000) 3.017 12.033 ( 6.023 -0.158 0.000) 6.025 12.033 ( 6.023 0.158 0.000) 6.025 12.217 ( -3.465 -0.772 0.000) 3.550 12.217 ( -3.465 0.772 0.000) 3.550 23.852 ( 0.101 -0.572 0.000) 0.581 23.852 ( 0.101 0.572 0.000) 0.581 23.857 ( -0.177 -0.512 0.000) 0.542 23.857 ( -0.177 0.512 0.000) 0.542 25.415 ( 3.331 -2.219 0.000) 4.003 25.415 ( 3.331 2.219 0.000) 4.003 25.471 ( 0.964 -1.470 0.000) 1.758 25.471 ( 0.964 1.470 0.000) 1.758 25.767 ( -1.988 -6.568 0.000) 6.862 25.767 ( -1.988 6.568 0.000) 6.862 25.791 ( -3.802 -3.631 0.000) 5.257 25.791 ( -3.802 3.631 0.000) 5.257 26.274 ( 5.760 -7.406 0.000) 9.383 26.274 ( 5.760 7.406 0.000) 9.383 26.467 ( -3.968 -7.398 0.000) 8.395 26.467 ( -3.968 7.398 0.000) 8.395 ======================= Grid point 34 (20/80) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -3.385 -2.376 0.000) 4.135 0.780 ( 3.385 -2.376 0.000) 4.135 0.780 ( -3.385 2.376 0.000) 4.135 0.780 ( 3.385 2.376 0.000) 4.135 1.284 ( -3.923 -7.638 0.000) 8.586 1.284 ( 3.923 -7.638 0.000) 8.586 1.284 ( -3.923 7.638 0.000) 8.586 1.284 ( 3.923 7.638 0.000) 8.586 1.696 ( -1.091 -3.700 0.000) 3.858 1.696 ( 1.091 -3.700 0.000) 3.858 1.696 ( -1.091 3.700 0.000) 3.858 1.696 ( 1.091 3.700 0.000) 3.858 2.173 ( -1.896 -5.988 0.000) 6.281 2.173 ( 1.896 -5.988 0.000) 6.281 2.173 ( -1.896 5.988 0.000) 6.281 2.173 ( 1.896 5.988 0.000) 6.281 2.363 ( -0.816 -8.749 0.000) 8.787 2.363 ( 0.817 -8.749 0.000) 8.787 2.363 ( -0.817 8.749 0.000) 8.787 2.363 ( 0.817 8.749 0.000) 8.787 2.683 ( -3.991 -6.026 0.000) 7.228 2.683 ( 3.991 -6.026 0.000) 7.228 2.683 ( -3.991 6.026 0.000) 7.228 2.683 ( 3.991 6.026 0.000) 7.228 3.058 ( -0.188 -3.792 0.000) 3.797 3.058 ( 0.188 -3.792 0.000) 3.797 3.058 ( -0.188 3.792 0.000) 3.797 3.058 ( 0.188 3.792 0.000) 3.797 3.487 ( -2.286 -2.355 0.000) 3.282 3.487 ( 2.286 -2.355 0.000) 3.282 3.487 ( -2.286 2.355 0.000) 3.282 3.487 ( 2.286 2.355 0.000) 3.282 3.769 ( -0.529 -4.200 0.000) 4.233 3.769 ( 0.529 -4.200 0.000) 4.233 3.769 ( -0.529 4.200 0.000) 4.233 3.769 ( 0.529 4.200 0.000) 4.233 9.177 ( -2.113 -1.755 0.000) 2.747 9.177 ( 2.113 -1.755 0.000) 2.747 9.177 ( -2.113 1.755 0.000) 2.747 9.177 ( 2.113 1.755 0.000) 2.747 9.452 ( -3.753 -0.698 0.000) 3.818 9.452 ( -3.753 0.698 0.000) 3.818 9.452 ( 3.753 -0.698 0.000) 3.818 9.452 ( 3.753 0.698 0.000) 3.818 11.313 ( -1.425 -3.151 0.000) 3.459 11.313 ( 1.425 -3.151 0.000) 3.459 11.313 ( -1.425 3.151 0.000) 3.459 11.313 ( 1.425 3.151 0.000) 3.459 11.662 ( -0.296 -2.314 0.000) 2.333 11.662 ( 0.296 -2.314 0.000) 2.333 11.662 ( -0.296 2.314 0.000) 2.333 11.662 ( 0.296 2.314 0.000) 2.333 12.138 ( -5.135 -0.661 0.000) 5.178 12.138 ( -5.135 0.661 0.000) 5.178 12.138 ( 5.135 -0.661 0.000) 5.178 12.138 ( 5.135 0.661 0.000) 5.178 23.854 ( -0.158 -0.627 0.000) 0.647 23.854 ( 0.158 -0.627 0.000) 0.647 23.854 ( -0.158 0.627 0.000) 0.647 23.854 ( 0.158 0.627 0.000) 0.647 25.467 ( -1.746 -1.964 0.000) 2.628 25.467 ( 1.746 -1.964 0.000) 2.628 25.467 ( -1.746 1.964 0.000) 2.628 25.467 ( 1.746 1.964 0.000) 2.628 25.748 ( -0.483 -5.788 0.000) 5.808 25.748 ( 0.483 -5.788 0.000) 5.808 25.748 ( -0.483 5.788 0.000) 5.808 25.748 ( 0.483 5.788 0.000) 5.808 26.379 ( -5.406 -7.804 0.000) 9.494 26.379 ( 5.406 -7.804 0.000) 9.494 26.379 ( -5.406 7.804 0.000) 9.494 26.379 ( 5.406 7.804 0.000) 9.494 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( 0.000 0.000 13.112) 13.112 0.352 ( 0.000 0.000 18.124) 18.124 0.612 ( 0.000 0.000 31.350) 31.350 0.789 ( 0.000 0.000 2.131) 2.131 1.067 ( 0.000 0.000 -4.610) 4.610 1.243 ( 0.000 0.000 4.032) 4.032 1.288 ( 0.000 0.000 0.772) 0.772 1.401 ( 0.000 0.000 -7.582) 7.582 1.426 ( 0.000 0.000 -4.420) 4.420 1.438 ( 0.000 0.000 -1.285) 1.285 1.825 ( 0.000 0.000 3.205) 3.205 1.829 ( 0.000 0.000 2.416) 2.416 1.899 ( 0.000 0.000 7.142) 7.142 1.920 ( 0.000 0.000 3.981) 3.981 2.005 ( 0.000 0.000 0.135) 0.135 2.064 ( 0.000 0.000 8.535) 8.535 2.171 ( 0.000 0.000 3.947) 3.947 2.260 ( 0.000 0.000 -3.626) 3.626 2.288 ( 0.000 0.000 -0.865) 0.865 2.315 ( 0.000 0.000 -0.780) 0.780 2.477 ( 0.000 0.000 -0.985) 0.985 2.794 ( 0.000 0.000 -7.509) 7.509 2.829 ( 0.000 0.000 -8.895) 8.895 2.886 ( 0.000 0.000 -3.901) 3.901 3.059 ( 0.000 0.000 1.095) 1.095 3.128 ( 0.000 0.000 -3.253) 3.253 3.141 ( 0.000 0.000 7.073) 7.073 3.143 ( 0.000 0.000 5.795) 5.795 3.162 ( 0.000 0.000 -0.378) 0.378 3.217 ( 0.000 0.000 0.857) 0.857 3.348 ( 0.000 0.000 0.273) 0.273 3.396 ( 0.000 0.000 1.846) 1.846 3.625 ( 0.000 0.000 0.192) 0.192 3.860 ( 0.000 0.000 -2.133) 2.133 4.148 ( 0.000 0.000 -1.266) 1.266 4.352 ( 0.000 0.000 -5.130) 5.130 9.101 ( 0.000 0.000 -0.311) 0.311 9.209 ( 0.000 0.000 -1.389) 1.389 9.219 ( 0.000 0.000 -0.179) 0.179 9.228 ( 0.000 0.000 -0.150) 0.150 9.312 ( 0.000 0.000 0.968) 0.968 9.334 ( 0.000 0.000 1.425) 1.425 9.438 ( 0.000 0.000 -0.595) 0.595 9.600 ( 0.000 0.000 -1.723) 1.723 11.062 ( 0.000 0.000 1.174) 1.174 11.164 ( 0.000 0.000 0.281) 0.281 11.509 ( 0.000 0.000 -0.686) 0.686 11.510 ( 0.000 0.000 0.613) 0.613 11.532 ( 0.000 0.000 0.905) 0.905 11.534 ( 0.000 0.000 -0.707) 0.707 11.803 ( 0.000 0.000 -0.135) 0.135 11.894 ( 0.000 0.000 1.137) 1.137 11.957 ( 0.000 0.000 -1.563) 1.563 12.012 ( 0.000 0.000 -0.028) 0.028 12.349 ( 0.000 0.000 0.415) 0.415 12.370 ( 0.000 0.000 0.134) 0.134 23.852 ( 0.000 0.000 -0.069) 0.069 23.852 ( 0.000 0.000 0.016) 0.016 23.862 ( 0.000 0.000 0.044) 0.044 23.871 ( 0.000 0.000 -0.055) 0.055 25.058 ( 0.000 0.000 0.953) 0.953 25.074 ( 0.000 0.000 0.585) 0.585 25.317 ( 0.000 0.000 -0.499) 0.499 25.379 ( 0.000 0.000 -1.023) 1.023 25.464 ( 0.000 0.000 0.781) 0.781 25.686 ( 0.000 0.000 -2.694) 2.694 25.966 ( 0.000 0.000 -0.037) 0.037 26.038 ( 0.000 0.000 -1.490) 1.490 26.124 ( 0.000 0.000 4.097) 4.097 26.454 ( 0.000 0.000 4.096) 4.096 26.503 ( 0.000 0.000 -1.010) 1.010 27.034 ( 0.000 0.000 -3.409) 3.409 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 3.616 0.000 11.401) 11.961 0.364 ( 9.417 0.000 8.589) 12.746 0.796 ( 0.504 0.000 2.291) 2.346 0.845 ( 15.163 0.000 23.062) 27.600 1.083 ( 0.373 0.000 -5.549) 5.562 1.209 ( -0.875 0.000 -0.391) 0.958 1.296 ( 0.531 0.000 3.335) 3.377 1.325 ( -1.523 0.000 -0.412) 1.577 1.481 ( 6.811 0.000 -3.780) 7.790 1.531 ( -12.419 0.000 -4.007) 13.050 1.665 ( 5.734 0.000 -2.255) 6.162 1.757 ( -11.548 0.000 2.974) 11.925 1.892 ( -0.191 0.000 9.529) 9.531 1.956 ( -4.478 0.000 0.207) 4.483 2.032 ( 6.624 0.000 4.488) 8.001 2.044 ( -2.085 0.000 6.308) 6.644 2.177 ( -1.105 0.000 3.206) 3.391 2.262 ( -1.053 0.000 1.153) 1.562 2.302 ( 4.709 0.000 -2.892) 5.526 2.394 ( 6.298 0.000 -1.765) 6.541 2.441 ( -3.690 0.000 -1.062) 3.840 2.739 ( -9.620 0.000 -0.875) 9.660 2.785 ( -2.024 0.000 -7.226) 7.504 2.873 ( -1.757 0.000 -3.575) 3.984 3.011 ( -3.776 0.000 4.103) 5.576 3.063 ( 0.445 0.000 0.882) 0.988 3.124 ( -0.682 0.000 0.438) 0.810 3.160 ( -1.295 0.000 -0.910) 1.583 3.183 ( 1.005 0.000 6.396) 6.475 3.209 ( 0.714 0.000 1.683) 1.828 3.352 ( 0.031 0.000 0.192) 0.195 3.354 ( 0.587 0.000 2.857) 2.917 3.614 ( 0.006 0.000 0.585) 0.585 3.761 ( -4.740 0.000 4.894) 6.813 4.207 ( 5.619 0.000 -2.482) 6.143 4.496 ( 4.947 0.000 -13.752) 14.614 9.109 ( 0.696 0.000 -0.427) 0.817 9.196 ( -1.053 0.000 -1.391) 1.744 9.219 ( 0.299 0.000 0.014) 0.299 9.248 ( 1.639 0.000 -0.452) 1.700 9.306 ( -0.568 0.000 1.033) 1.179 9.335 ( 0.580 0.000 0.889) 1.061 9.426 ( -1.236 0.000 -0.557) 1.356 9.568 ( -3.168 0.000 -1.637) 3.566 11.070 ( 0.781 0.000 1.121) 1.366 11.158 ( -0.666 0.000 0.352) 0.753 11.488 ( -0.923 0.000 1.247) 1.552 11.509 ( 0.092 0.000 -0.698) 0.704 11.531 ( -0.261 0.000 -0.713) 0.760 11.568 ( 0.963 0.000 0.750) 1.221 11.627 ( -4.064 0.000 6.170) 7.388 11.863 ( -2.243 0.000 -0.315) 2.265 12.007 ( 3.570 0.000 0.309) 3.584 12.248 ( 7.065 0.000 -7.518) 10.317 12.328 ( 0.415 0.000 -0.720) 0.831 12.395 ( 1.457 0.000 -0.139) 1.463 23.835 ( -0.788 0.000 0.192) 0.811 23.848 ( -0.950 0.000 0.462) 1.056 23.871 ( 0.896 0.000 -0.250) 0.931 23.879 ( 0.485 0.000 -0.079) 0.492 25.059 ( 0.087 0.000 0.934) 0.938 25.072 ( -0.136 0.000 0.618) 0.633 25.321 ( 0.461 0.000 -0.541) 0.711 25.375 ( -0.428 0.000 -0.993) 1.081 25.470 ( 0.683 0.000 0.894) 1.126 25.689 ( -2.486 0.000 -0.021) 2.486 25.768 ( -8.349 0.000 11.111) 13.898 25.992 ( 2.079 0.000 0.168) 2.085 26.067 ( -2.657 0.000 3.338) 4.266 26.368 ( -4.226 0.000 -0.326) 4.239 26.831 ( 11.953 0.000 -9.408) 15.211 27.049 ( 0.977 0.000 -4.154) 4.267 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 17.529 0.000 -4.338) 18.058 0.555 ( 10.351 0.000 4.058) 11.118 0.792 ( -1.542 0.000 1.952) 2.487 1.038 ( 6.231 0.000 11.219) 12.833 1.073 ( -0.142 0.000 -5.034) 5.036 1.178 ( -3.534 0.000 -1.760) 3.948 1.201 ( -16.022 0.000 -0.024) 16.022 1.362 ( -5.807 0.000 0.611) 5.839 1.369 ( 7.302 0.000 3.826) 8.244 1.580 ( 1.762 0.000 1.165) 2.112 1.638 ( 4.044 0.000 4.000) 5.689 1.764 ( 5.090 0.000 1.617) 5.340 1.850 ( -4.002 0.000 5.529) 6.825 1.886 ( -1.308 0.000 -1.420) 1.930 1.995 ( -3.111 0.000 2.765) 4.162 2.094 ( -3.701 0.000 3.135) 4.851 2.177 ( 4.988 0.000 5.398) 7.350 2.252 ( 0.093 0.000 2.127) 2.129 2.355 ( -5.061 0.000 -0.659) 5.104 2.401 ( 4.237 0.000 -3.555) 5.531 2.529 ( 8.063 0.000 -2.035) 8.316 2.537 ( -9.450 0.000 3.914) 10.228 2.709 ( -6.133 0.000 -5.864) 8.485 2.808 ( -5.422 0.000 -2.918) 6.158 3.011 ( 2.388 0.000 2.247) 3.279 3.075 ( 0.878 0.000 0.542) 1.032 3.104 ( -1.571 0.000 1.273) 2.022 3.123 ( -1.952 0.000 0.006) 1.952 3.247 ( 5.159 0.000 2.370) 5.677 3.249 ( 2.897 0.000 1.022) 3.072 3.340 ( -1.366 0.000 0.261) 1.390 3.371 ( -0.002 0.000 1.132) 1.132 3.625 ( 1.016 0.000 1.654) 1.942 3.693 ( -2.873 0.000 4.118) 5.021 4.325 ( 6.604 0.000 -4.854) 8.196 4.510 ( -2.273 0.000 -10.288) 10.536 9.126 ( 1.157 0.000 -0.716) 1.361 9.175 ( -1.281 0.000 -1.491) 1.966 9.231 ( 1.018 0.000 0.151) 1.029 9.271 ( -0.059 0.000 -0.442) 0.446 9.305 ( 1.390 0.000 0.747) 1.578 9.361 ( 2.255 0.000 -0.075) 2.256 9.394 ( -2.217 0.000 -0.433) 2.259 9.495 ( -4.423 0.000 -1.304) 4.611 11.089 ( 1.307 0.000 0.973) 1.630 11.140 ( -1.192 0.000 0.534) 1.306 11.483 ( 0.290 0.000 1.717) 1.741 11.512 ( 0.228 0.000 -0.721) 0.756 11.525 ( -0.398 0.000 -0.727) 0.829 11.530 ( -2.291 0.000 3.184) 3.923 11.664 ( 4.115 0.000 0.735) 4.180 11.811 ( -3.315 0.000 -0.601) 3.369 12.085 ( 4.624 0.000 0.911) 4.713 12.240 ( -3.232 0.000 0.095) 3.234 12.384 ( 2.599 0.000 -3.141) 4.077 12.414 ( 0.553 0.000 -0.562) 0.788 23.824 ( -0.305 0.000 0.360) 0.472 23.833 ( -0.680 0.000 0.547) 0.873 23.884 ( 0.498 0.000 -0.348) 0.607 23.886 ( 0.316 0.000 -0.227) 0.389 25.061 ( 0.165 0.000 0.879) 0.895 25.069 ( -0.213 0.000 0.699) 0.731 25.333 ( 0.781 0.000 -0.650) 1.017 25.364 ( -0.749 0.000 -0.909) 1.178 25.490 ( 1.566 0.000 1.349) 2.067 25.588 ( -4.387 0.000 5.543) 7.069 25.787 ( 4.192 0.000 0.941) 4.296 25.976 ( -4.606 0.000 1.507) 4.847 26.074 ( 4.185 0.000 1.090) 4.325 26.275 ( -5.648 0.000 -0.365) 5.660 26.966 ( 4.572 0.000 -5.366) 7.050 27.054 ( -0.606 0.000 -3.994) 4.040 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -6.683 0.000 1.755) 6.910 0.718 ( 6.683 0.000 1.755) 6.910 0.849 ( -19.001 0.000 -5.167) 19.691 0.849 ( 19.001 0.000 -5.167) 19.691 1.105 ( -3.465 0.000 -2.665) 4.371 1.105 ( 3.465 0.000 -2.665) 4.371 1.194 ( -9.281 0.000 6.003) 11.053 1.194 ( 9.281 0.000 6.003) 11.053 1.515 ( -7.282 0.000 3.537) 8.095 1.515 ( 7.282 0.000 3.537) 8.095 1.759 ( -5.224 0.000 1.174) 5.355 1.759 ( 5.224 0.000 1.174) 5.355 1.927 ( -4.094 0.000 -0.794) 4.170 1.927 ( 4.094 0.000 -0.794) 4.170 1.938 ( -11.775 0.000 7.792) 14.120 1.938 ( 11.775 0.000 7.792) 14.120 2.277 ( -2.886 0.000 1.000) 3.054 2.277 ( 2.886 0.000 1.000) 3.054 2.304 ( -8.251 0.000 2.769) 8.703 2.304 ( 8.251 0.000 2.769) 8.703 2.576 ( -7.548 0.000 -3.382) 8.271 2.576 ( 7.548 0.000 -3.382) 8.271 2.680 ( -7.975 0.000 -2.343) 8.312 2.680 ( 7.975 0.000 -2.343) 8.312 3.064 ( -2.761 0.000 1.938) 3.373 3.064 ( 2.761 0.000 1.938) 3.373 3.094 ( -1.196 0.000 0.349) 1.246 3.094 ( 1.196 0.000 0.349) 1.246 3.302 ( -2.630 0.000 0.552) 2.687 3.302 ( 2.630 0.000 0.552) 2.687 3.336 ( -3.778 0.000 0.697) 3.841 3.336 ( 3.778 0.000 0.697) 3.841 3.651 ( -1.775 0.000 2.921) 3.418 3.651 ( 1.775 0.000 2.921) 3.418 4.437 ( -5.268 0.000 -7.359) 9.051 4.437 ( 5.268 0.000 -7.359) 9.051 9.150 ( -1.384 0.000 -1.158) 1.805 9.150 ( 1.384 0.000 -1.158) 1.805 9.253 ( -1.278 0.000 0.167) 1.289 9.253 ( 1.278 0.000 0.167) 1.289 9.348 ( -2.643 0.000 -0.159) 2.648 9.348 ( 2.643 0.000 -0.159) 2.648 9.417 ( -3.768 0.000 -0.776) 3.847 9.417 ( 3.768 0.000 -0.776) 3.847 11.115 ( -1.441 0.000 0.762) 1.630 11.115 ( 1.441 0.000 0.762) 1.630 11.498 ( -1.293 0.000 2.317) 2.654 11.498 ( 1.293 0.000 2.317) 2.654 11.518 ( -0.365 0.000 -0.733) 0.819 11.518 ( 0.365 0.000 -0.733) 0.819 11.742 ( -4.112 0.000 -0.206) 4.117 11.742 ( 4.112 0.000 -0.206) 4.117 12.169 ( -4.319 0.000 0.861) 4.404 12.169 ( 4.319 0.000 0.861) 4.404 12.413 ( -0.734 0.000 -1.337) 1.525 12.413 ( 0.734 0.000 -1.337) 1.525 23.824 ( -0.240 0.000 0.491) 0.546 23.824 ( 0.240 0.000 0.491) 0.546 23.889 ( -0.046 0.000 -0.339) 0.342 23.889 ( 0.046 0.000 -0.339) 0.342 25.065 ( -0.216 0.000 0.796) 0.825 25.065 ( 0.216 0.000 0.796) 0.825 25.349 ( -0.881 0.000 -0.786) 1.180 25.349 ( 0.881 0.000 -0.786) 1.180 25.527 ( -2.482 0.000 2.732) 3.691 25.527 ( 2.482 0.000 2.732) 3.691 25.879 ( -5.457 0.000 1.231) 5.594 25.879 ( 5.457 0.000 1.231) 5.594 26.168 ( -5.670 0.000 0.215) 5.674 26.168 ( 5.670 0.000 0.215) 5.674 27.027 ( -2.283 0.000 -4.012) 4.615 27.027 ( 2.283 0.000 -4.012) 4.615 ======================= Grid point 70 (25/80) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 0.000 11.667 8.828) 14.631 0.488 ( 0.000 11.786 12.683) 17.314 0.829 ( 0.000 8.303 10.992) 13.776 0.873 ( 0.000 12.346 11.848) 17.111 1.205 ( 0.000 1.474 -2.794) 3.159 1.254 ( 0.000 1.607 -8.097) 8.255 1.313 ( 0.000 2.153 -2.319) 3.165 1.348 ( 0.000 5.922 -3.353) 6.805 1.424 ( 0.000 -0.867 0.220) 0.895 1.654 ( 0.000 11.563 -5.846) 12.957 1.781 ( 0.000 -3.060 4.021) 5.053 1.846 ( 0.000 -0.159 1.073) 1.085 1.908 ( 0.000 1.658 6.508) 6.715 1.933 ( 0.000 -1.422 9.825) 9.927 2.016 ( 0.000 1.091 1.257) 1.664 2.043 ( 0.000 -0.926 -1.444) 1.715 2.160 ( 0.000 3.541 2.873) 4.560 2.273 ( 0.000 1.179 -4.729) 4.873 2.349 ( 0.000 3.311 -0.704) 3.385 2.395 ( 0.000 5.128 -0.167) 5.130 2.476 ( 0.000 0.837 1.574) 1.783 2.619 ( 0.000 -12.734 -5.397) 13.831 2.796 ( 0.000 -0.102 -7.041) 7.042 2.831 ( 0.000 -5.772 1.193) 5.895 2.954 ( 0.000 -2.261 -1.547) 2.740 3.037 ( 0.000 -5.015 0.382) 5.030 3.129 ( 0.000 -0.230 1.540) 1.557 3.230 ( 0.000 -1.987 5.735) 6.069 3.242 ( 0.000 2.193 1.137) 2.470 3.278 ( 0.000 6.507 2.177) 6.862 3.363 ( 0.000 8.314 -0.082) 8.315 3.558 ( 0.000 4.038 -4.905) 6.353 3.661 ( 0.000 2.684 -0.176) 2.690 3.844 ( 0.000 -1.445 -2.177) 2.613 4.093 ( 0.000 -4.748 -1.071) 4.867 4.210 ( 0.000 -9.216 1.970) 9.424 9.093 ( 0.000 -0.684 -0.184) 0.709 9.189 ( 0.000 -1.141 -1.411) 1.814 9.228 ( 0.000 -0.020 -0.042) 0.047 9.242 ( 0.000 1.436 -0.693) 1.595 9.279 ( 0.000 -2.001 2.023) 2.845 9.378 ( 0.000 3.254 0.191) 3.259 9.462 ( 0.000 2.040 -0.799) 2.191 9.571 ( 0.000 -2.539 -1.590) 2.996 11.081 ( 0.000 1.683 0.866) 1.892 11.277 ( 0.000 5.219 -7.921) 9.486 11.495 ( 0.000 -1.192 -0.775) 1.422 11.503 ( 0.000 -1.360 0.180) 1.372 11.526 ( 0.000 1.229 0.387) 1.289 11.569 ( 0.000 1.838 -0.424) 1.886 11.803 ( 0.000 0.050 -0.004) 0.050 11.874 ( 0.000 -6.088 6.096) 8.615 11.883 ( 0.000 -1.034 1.297) 1.659 11.978 ( 0.000 -0.293 0.752) 0.807 12.338 ( 0.000 -0.982 0.446) 1.079 12.355 ( 0.000 -1.243 0.249) 1.268 23.851 ( 0.000 -0.115 -0.020) 0.117 23.851 ( 0.000 -0.216 0.093) 0.235 23.852 ( 0.000 -0.067 0.048) 0.082 23.868 ( 0.000 -0.198 -0.054) 0.205 25.104 ( 0.000 2.712 0.223) 2.721 25.281 ( 0.000 10.875 -12.122) 16.286 25.331 ( 0.000 1.254 -0.666) 1.419 25.387 ( 0.000 0.701 -0.564) 0.900 25.467 ( 0.000 0.262 0.817) 0.858 25.709 ( 0.000 2.081 -3.697) 4.243 25.962 ( 0.000 -0.492 0.424) 0.650 26.048 ( 0.000 0.442 -1.371) 1.440 26.119 ( 0.000 -0.042 4.007) 4.007 26.404 ( 0.000 -5.632 5.419) 7.815 26.428 ( 0.000 -2.105 4.428) 4.903 26.937 ( 0.000 -5.787 0.091) 5.787 ======================= Grid point 71 (26/80) ======================= q-point: ( 0.17 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 4.107 12.177 5.865) 14.126 0.501 ( 4.449 10.501 9.022) 14.542 0.823 ( -1.795 1.579 2.606) 3.536 0.980 ( 8.568 10.274 14.718) 19.889 1.173 ( -2.864 3.269 -5.163) 6.749 1.257 ( 1.332 1.893 -1.185) 2.600 1.346 ( 1.002 1.163 2.114) 2.612 1.392 ( 2.254 6.747 -1.281) 7.228 1.408 ( 0.374 1.631 -3.018) 3.451 1.591 ( -8.521 -1.177 2.052) 8.843 1.691 ( -1.001 6.735 -6.487) 9.404 1.795 ( -6.763 3.484 4.409) 8.793 1.898 ( -0.214 -1.321 7.409) 7.529 1.958 ( -3.370 0.943 0.576) 3.546 2.018 ( 5.384 -1.161 5.017) 7.451 2.075 ( 0.165 1.386 1.109) 1.783 2.134 ( -1.268 0.157 2.093) 2.452 2.272 ( -0.594 0.669 -1.952) 2.147 2.388 ( 1.741 3.930 -0.687) 4.353 2.420 ( 3.657 1.821 -1.947) 4.526 2.450 ( -1.866 1.991 0.809) 2.846 2.605 ( -1.810 -7.700 -1.793) 8.111 2.785 ( -1.235 -0.209 -6.344) 6.467 2.824 ( -1.445 -4.723 -0.961) 5.032 2.972 ( 1.755 -1.213 -0.354) 2.163 3.056 ( 1.778 -4.033 0.387) 4.425 3.122 ( -0.956 -0.073 2.234) 2.431 3.158 ( -2.956 0.197 3.518) 4.599 3.238 ( -1.470 4.870 1.670) 5.354 3.309 ( 2.185 3.172 2.614) 4.656 3.375 ( -1.275 7.508 -1.827) 7.832 3.473 ( -4.476 5.965 -0.008) 7.457 3.647 ( -0.515 1.978 0.530) 2.111 3.765 ( -4.247 0.824 3.725) 5.709 4.138 ( 4.480 -6.052 -2.172) 7.837 4.319 ( 5.596 -13.048 -6.017) 15.420 9.100 ( 0.707 -0.680 -0.236) 1.009 9.185 ( -0.441 -0.749 -1.370) 1.622 9.228 ( 0.153 0.528 0.048) 0.552 9.262 ( 1.404 0.642 -0.744) 1.713 9.283 ( 0.882 -1.153 1.297) 1.946 9.375 ( -0.267 2.981 0.056) 2.993 9.450 ( -1.220 2.044 -0.787) 2.507 9.543 ( -2.865 -2.276 -1.502) 3.955 11.086 ( 0.610 1.536 0.769) 1.823 11.226 ( -4.093 4.274 -3.924) 7.101 11.479 ( -1.159 -0.881 0.848) 1.685 11.491 ( -0.560 -1.715 -0.529) 1.880 11.539 ( 0.295 0.890 -0.375) 1.010 11.581 ( 0.045 1.016 0.695) 1.232 11.649 ( -3.029 1.888 5.130) 6.249 11.854 ( -2.031 -0.838 -0.015) 2.197 12.005 ( 3.516 -0.275 0.270) 3.537 12.133 ( 11.359 -8.067 -2.114) 14.091 12.305 ( -2.310 -1.062 0.967) 2.720 12.375 ( 0.933 -1.770 -0.048) 2.001 23.835 ( -0.758 0.045 0.170) 0.778 23.843 ( -0.667 -0.123 0.263) 0.727 23.868 ( 0.817 -0.224 -0.234) 0.879 23.875 ( 0.481 -0.268 -0.137) 0.567 25.108 ( 0.374 3.085 0.106) 3.109 25.244 ( -3.413 10.879 -8.589) 14.275 25.337 ( 0.625 1.401 -0.760) 1.712 25.387 ( -0.068 1.101 -0.630) 1.270 25.473 ( 0.732 0.307 0.959) 1.245 25.713 ( -1.318 2.049 -1.779) 3.017 25.816 ( -10.124 4.098 10.069) 14.855 25.986 ( 2.480 -0.433 0.415) 2.551 26.081 ( -2.973 1.184 3.261) 4.569 26.343 ( -3.672 -2.018 -0.218) 4.195 26.709 ( 13.908 -9.876 -3.791) 17.474 26.949 ( 1.048 -6.303 -0.462) 6.406 ======================= Grid point 72 (27/80) ======================= q-point: ( 0.33 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 9.015 5.271 1.320) 10.526 0.648 ( 10.477 6.589 2.600) 12.646 0.778 ( -3.067 -1.018 1.492) 3.560 1.067 ( 1.594 2.258 4.610) 5.375 1.109 ( -5.603 2.088 -2.512) 6.486 1.217 ( -9.889 -0.445 0.630) 9.919 1.326 ( 0.802 8.428 6.568) 10.715 1.357 ( -3.267 3.233 -0.760) 4.659 1.455 ( 3.899 9.120 -1.100) 9.979 1.595 ( 7.601 -0.434 1.138) 7.698 1.683 ( -3.112 2.352 3.440) 5.201 1.729 ( 2.527 0.769 -0.364) 2.666 1.864 ( -1.605 1.245 6.639) 6.943 1.891 ( -3.335 -1.160 0.289) 3.543 2.002 ( -4.047 1.560 -1.213) 4.504 2.102 ( -1.757 1.151 1.489) 2.575 2.171 ( 4.727 -0.619 1.586) 5.024 2.254 ( 0.095 0.254 5.363) 5.370 2.350 ( -3.509 -1.085 -0.738) 3.746 2.467 ( 0.238 4.560 -1.667) 4.861 2.505 ( 3.750 -0.648 -1.895) 4.252 2.569 ( 1.453 2.511 1.462) 3.248 2.733 ( -4.952 2.072 -5.690) 7.823 2.768 ( -4.328 -3.584 -1.934) 5.943 3.010 ( 2.291 0.083 2.148) 3.141 3.085 ( 1.149 -1.891 0.395) 2.248 3.095 ( -1.393 0.277 2.028) 2.476 3.142 ( -0.336 0.811 1.406) 1.658 3.243 ( 1.889 1.493 0.522) 2.464 3.304 ( -1.314 5.495 0.896) 5.720 3.361 ( 1.280 2.915 -0.288) 3.197 3.445 ( -1.120 4.662 1.319) 4.973 3.649 ( 0.640 1.541 1.782) 2.441 3.704 ( -2.601 1.195 3.456) 4.487 4.233 ( 5.293 -8.036 -4.079) 10.452 4.362 ( -0.479 -12.297 -7.139) 14.227 9.118 ( 1.213 -0.605 -0.443) 1.426 9.169 ( -1.237 -0.363 -1.179) 1.747 9.240 ( 1.086 0.572 0.145) 1.236 9.273 ( -0.053 -0.493 0.269) 0.564 9.321 ( 2.671 1.396 -0.457) 3.049 9.376 ( 0.756 1.630 -0.319) 1.825 9.418 ( -2.197 2.030 -0.740) 3.081 9.477 ( -3.928 -1.580 -1.214) 4.404 11.102 ( 1.111 1.225 0.523) 1.735 11.164 ( -2.543 1.988 -0.785) 3.322 11.467 ( -0.159 -1.299 1.019) 1.658 11.481 ( -0.541 -2.139 0.081) 2.208 11.539 ( -0.103 1.186 -0.281) 1.223 11.555 ( -1.346 1.541 2.067) 2.909 11.677 ( 3.399 1.077 0.921) 3.682 11.806 ( -3.049 -0.485 -0.223) 3.095 12.081 ( 4.552 -0.358 0.852) 4.644 12.229 ( -1.991 -1.285 -0.571) 2.437 12.302 ( 3.685 -6.054 -0.395) 7.098 12.381 ( -0.349 -2.879 -0.328) 2.919 23.825 ( -0.307 0.089 0.310) 0.446 23.831 ( -0.568 0.007 0.344) 0.664 23.880 ( 0.455 -0.328 -0.341) 0.657 23.882 ( 0.302 -0.329 -0.270) 0.522 25.119 ( 0.881 4.227 -0.289) 4.328 25.183 ( -2.838 8.841 -3.512) 9.927 25.353 ( 0.964 1.734 -0.932) 2.192 25.382 ( -0.428 1.766 -0.813) 1.991 25.496 ( 1.771 0.522 1.668) 2.488 25.614 ( -5.291 2.610 6.101) 8.487 25.807 ( 3.765 1.765 0.793) 4.233 25.992 ( -4.504 1.423 1.556) 4.973 26.065 ( 3.999 -0.698 1.314) 4.266 26.259 ( -5.235 -1.208 -0.212) 5.377 26.879 ( 5.620 -8.276 -4.554) 10.991 26.962 ( 0.095 -6.869 -1.755) 7.090 ======================= Grid point 73 (28/80) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -6.126 -0.906 1.357) 6.340 0.694 ( 6.126 -0.906 1.357) 6.340 0.888 ( -14.522 2.977 -1.092) 14.864 0.888 ( 14.522 2.977 -1.092) 14.864 1.110 ( -3.130 0.293 -0.186) 3.149 1.110 ( 3.130 0.293 -0.186) 3.149 1.319 ( -0.882 9.325 4.187) 10.260 1.319 ( 0.882 9.325 4.187) 10.260 1.561 ( -6.389 4.460 0.328) 7.798 1.561 ( 6.389 4.460 0.328) 7.798 1.765 ( -1.918 -2.180 1.405) 3.226 1.765 ( 1.918 -2.180 1.405) 3.226 1.834 ( -3.032 -1.589 2.877) 4.472 1.834 ( 3.032 -1.589 2.877) 4.472 2.015 ( -5.802 3.850 2.308) 7.336 2.015 ( 5.802 3.850 2.308) 7.336 2.230 ( -3.195 -2.455 1.368) 4.255 2.230 ( 3.195 -2.455 1.368) 4.255 2.380 ( -5.906 3.701 2.488) 7.400 2.380 ( 5.906 3.701 2.488) 7.400 2.609 ( -6.064 2.282 -3.816) 7.519 2.609 ( 6.064 2.282 -3.816) 7.519 2.671 ( -5.301 0.370 -1.692) 5.577 2.671 ( 5.301 0.370 -1.692) 5.577 3.056 ( -2.441 -0.614 1.739) 3.059 3.056 ( 2.441 -0.614 1.739) 3.059 3.118 ( -1.845 1.110 1.315) 2.523 3.118 ( 1.845 1.110 1.315) 2.523 3.283 ( -1.768 0.988 -0.320) 2.050 3.283 ( 1.768 0.988 -0.320) 2.050 3.404 ( -3.003 4.119 0.920) 5.180 3.404 ( 3.003 4.119 0.920) 5.180 3.668 ( -1.406 1.357 2.658) 3.299 3.668 ( 1.406 1.357 2.658) 3.299 4.319 ( -3.777 -10.165 -5.831) 12.312 4.319 ( 3.777 -10.165 -5.831) 12.312 9.143 ( -1.484 -0.452 -0.790) 1.741 9.143 ( 1.484 -0.452 -0.790) 1.741 9.262 ( -1.089 0.410 0.186) 1.178 9.262 ( 1.089 0.410 0.186) 1.178 9.371 ( -2.708 1.970 -0.681) 3.417 9.371 ( 2.708 1.970 -0.681) 3.417 9.411 ( -2.918 -0.416 -0.782) 3.050 9.411 ( 2.918 -0.416 -0.782) 3.050 11.127 ( -1.581 1.127 0.127) 1.945 11.127 ( 1.581 1.127 0.127) 1.945 11.471 ( -0.460 -1.856 0.737) 2.049 11.471 ( 0.460 -1.856 0.737) 2.049 11.541 ( -0.344 1.504 0.604) 1.657 11.541 ( 0.344 1.504 0.604) 1.657 11.744 ( -3.621 0.110 0.108) 3.625 11.744 ( 3.621 0.110 0.108) 3.625 12.164 ( -4.245 -0.433 0.773) 4.336 12.164 ( 4.245 -0.433 0.773) 4.336 12.359 ( -2.099 -4.533 -0.660) 5.039 12.359 ( 2.099 -4.533 -0.660) 5.039 23.824 ( -0.197 0.077 0.368) 0.424 23.824 ( 0.197 0.077 0.368) 0.424 23.885 ( -0.044 -0.360 -0.351) 0.505 23.885 ( 0.044 -0.360 -0.351) 0.505 25.142 ( -1.645 6.183 -1.209) 6.511 25.142 ( 1.645 6.183 -1.209) 6.511 25.370 ( -0.864 1.980 -0.986) 2.375 25.370 ( 0.864 1.980 -0.986) 2.375 25.540 ( -3.063 1.276 3.470) 4.801 25.540 ( 3.063 1.276 3.470) 4.801 25.895 ( -5.390 1.367 1.178) 5.684 25.895 ( 5.390 1.367 1.178) 5.684 26.158 ( -5.496 -0.750 0.391) 5.561 26.158 ( 5.496 -0.750 0.391) 5.561 26.946 ( -2.025 -7.161 -3.135) 8.075 26.946 ( 2.025 -7.161 -3.135) 8.075 ======================= Grid point 77 (29/80) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 14.472 4.684) 15.212 0.799 ( 0.000 16.485 6.204) 17.614 0.895 ( 0.000 1.600 -2.504) 2.971 1.104 ( 0.000 -6.311 0.447) 6.326 1.190 ( 0.000 10.094 7.379) 12.503 1.262 ( 0.000 -0.848 -0.304) 0.901 1.336 ( 0.000 8.364 1.861) 8.569 1.432 ( 0.000 1.517 0.633) 1.644 1.667 ( 0.000 -0.018 0.095) 0.096 1.778 ( 0.000 14.323 0.089) 14.323 1.809 ( 0.000 -5.466 6.369) 8.393 1.839 ( 0.000 5.560 -1.324) 5.715 1.860 ( 0.000 2.237 3.415) 4.083 1.935 ( 0.000 0.941 -1.487) 1.760 2.051 ( 0.000 1.896 5.430) 5.751 2.069 ( 0.000 -0.104 0.977) 0.983 2.247 ( 0.000 -5.931 -4.025) 7.167 2.277 ( 0.000 7.378 -3.058) 7.987 2.390 ( 0.000 -6.073 -5.566) 8.238 2.409 ( 0.000 -1.928 0.216) 1.940 2.488 ( 0.000 6.912 -3.064) 7.560 2.541 ( 0.000 2.415 3.400) 4.170 2.654 ( 0.000 -7.945 5.190) 9.490 2.751 ( 0.000 -5.391 -3.610) 6.488 2.933 ( 0.000 -0.395 -5.776) 5.790 2.970 ( 0.000 -0.035 -1.517) 1.518 3.130 ( 0.000 0.454 1.308) 1.385 3.212 ( 0.000 -0.062 4.750) 4.750 3.289 ( 0.000 1.789 1.110) 2.106 3.418 ( 0.000 6.365 4.082) 7.562 3.527 ( 0.000 5.539 -1.234) 5.675 3.578 ( 0.000 0.649 -1.207) 1.371 3.707 ( 0.000 1.337 -0.108) 1.341 3.804 ( 0.000 -2.135 -2.250) 3.102 3.978 ( 0.000 -5.378 -0.592) 5.411 4.010 ( 0.000 -9.901 3.391) 10.465 9.080 ( 0.000 -0.346 -0.011) 0.347 9.166 ( 0.000 -1.117 -1.614) 1.963 9.227 ( 0.000 -0.122 0.210) 0.243 9.239 ( 0.000 -1.628 2.287) 2.808 9.274 ( 0.000 1.555 -0.682) 1.698 9.456 ( 0.000 3.831 -0.531) 3.868 9.500 ( 0.000 -3.077 -1.453) 3.402 9.515 ( 0.000 1.770 -0.924) 1.997 11.129 ( 0.000 2.850 0.152) 2.854 11.341 ( 0.000 1.475 -6.842) 7.000 11.456 ( 0.000 -2.452 -1.324) 2.787 11.474 ( 0.000 -1.372 -0.210) 1.388 11.555 ( 0.000 1.394 -0.249) 1.416 11.606 ( 0.000 1.468 -1.391) 2.023 11.783 ( 0.000 -2.600 6.648) 7.138 11.810 ( 0.000 0.729 0.389) 0.826 11.852 ( 0.000 -1.872 1.805) 2.601 11.969 ( 0.000 -0.825 0.510) 0.970 12.313 ( 0.000 -1.267 0.455) 1.347 12.324 ( 0.000 -1.593 0.165) 1.601 23.849 ( 0.000 -0.069 -0.077) 0.104 23.851 ( 0.000 0.007 -0.100) 0.100 23.853 ( 0.000 0.187 -0.043) 0.192 23.864 ( 0.000 -0.165 -0.033) 0.168 25.175 ( 0.000 3.689 -0.746) 3.764 25.355 ( 0.000 0.692 -1.029) 1.240 25.407 ( 0.000 1.201 0.555) 1.323 25.439 ( 0.000 4.604 -9.315) 10.391 25.479 ( 0.000 1.613 -0.383) 1.658 25.759 ( 0.000 2.120 -6.642) 6.972 25.947 ( 0.000 -0.771 1.836) 1.991 26.028 ( 0.000 -2.239 0.215) 2.250 26.141 ( 0.000 1.750 4.029) 4.393 26.317 ( 0.000 -2.939 4.969) 5.773 26.390 ( 0.000 -0.665 4.202) 4.254 26.812 ( 0.000 -6.229 -0.604) 6.258 ======================= Grid point 78 (30/80) ======================= q-point: ( 0.17 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 2.812 12.239 5.331) 13.643 0.768 ( -2.608 14.750 6.303) 16.251 0.845 ( -4.211 0.752 -1.081) 4.412 1.104 ( -0.398 -2.803 0.113) 2.833 1.180 ( -3.262 -0.074 2.814) 4.309 1.273 ( 2.179 1.909 5.937) 6.606 1.350 ( 1.440 5.110 -0.537) 5.337 1.493 ( 3.947 5.052 1.952) 6.702 1.586 ( -6.320 1.287 2.595) 6.952 1.710 ( -0.582 9.925 -2.272) 10.198 1.770 ( -2.524 -0.432 4.711) 5.361 1.808 ( -3.178 5.244 -1.558) 6.327 1.929 ( -1.376 -0.486 1.561) 2.137 1.963 ( -5.272 1.483 0.891) 5.549 2.015 ( 6.418 2.325 0.865) 6.881 2.098 ( 2.297 0.034 3.838) 4.472 2.205 ( -2.063 4.510 -2.951) 5.771 2.275 ( -1.114 1.652 -1.603) 2.557 2.351 ( -3.425 -5.352 -1.461) 6.520 2.428 ( 1.397 -1.840 -3.137) 3.896 2.543 ( 3.754 2.988 0.615) 4.838 2.550 ( 2.095 1.504 -0.103) 2.581 2.686 ( 2.269 -3.525 2.612) 4.939 2.762 ( 0.973 -4.221 -3.840) 5.789 2.958 ( 2.522 -0.853 -3.274) 4.220 2.988 ( 1.593 -0.468 -1.845) 2.482 3.124 ( -0.779 0.521 1.288) 1.593 3.166 ( -2.152 0.534 4.045) 4.613 3.337 ( 2.108 2.902 1.723) 3.979 3.397 ( -0.710 5.945 3.344) 6.858 3.501 ( -3.683 2.543 -2.604) 5.178 3.570 ( -0.867 4.365 0.086) 4.451 3.674 ( -1.410 0.996 2.058) 2.686 3.789 ( -2.380 0.710 0.812) 2.613 3.982 ( 1.827 -8.336 -1.902) 8.744 4.050 ( 2.506 -11.202 0.040) 11.479 9.088 ( 0.786 -0.303 -0.002) 0.842 9.169 ( 0.235 -0.756 -1.541) 1.732 9.235 ( 0.822 -0.067 0.402) 0.917 9.240 ( -0.234 -1.422 1.709) 2.235 9.293 ( 2.365 1.142 -0.869) 2.766 9.446 ( -1.026 3.458 -0.578) 3.653 9.480 ( -2.000 -3.086 -1.289) 3.897 9.502 ( -1.317 2.227 -1.021) 2.781 11.132 ( 0.279 2.709 -0.035) 2.724 11.295 ( -4.452 2.396 -5.416) 7.409 11.440 ( -1.060 -2.954 -0.437) 3.169 11.454 ( -1.526 -1.458 0.026) 2.110 11.565 ( 0.569 1.396 -0.401) 1.560 11.605 ( -0.350 1.180 -0.010) 1.231 11.693 ( -1.915 2.027 3.889) 4.786 11.829 ( -1.617 -1.412 0.975) 2.357 11.979 ( 7.567 -3.306 0.222) 8.261 12.007 ( 5.309 -2.509 1.269) 6.007 12.284 ( -2.363 -0.964 0.636) 2.631 12.330 ( -0.193 -2.278 0.063) 2.287 23.838 ( -0.582 0.198 0.072) 0.619 23.846 ( -0.555 0.276 -0.013) 0.620 23.863 ( 0.603 -0.290 -0.183) 0.694 23.869 ( 0.344 -0.257 -0.156) 0.457 25.186 ( 1.152 3.940 -1.159) 4.265 25.362 ( 0.543 0.947 -1.495) 1.851 25.398 ( -1.467 2.933 -4.461) 5.537 25.435 ( -0.024 4.039 -4.982) 6.414 25.485 ( 0.884 1.248 1.191) 1.938 25.760 ( -0.297 1.963 -4.712) 5.113 25.892 ( -7.921 2.013 6.249) 10.288 25.986 ( 2.558 0.588 1.226) 2.897 26.104 ( -3.533 0.856 4.217) 5.568 26.313 ( -2.180 -0.041 -0.503) 2.238 26.510 ( 9.719 -7.997 2.592) 12.850 26.813 ( -0.093 -6.825 -0.790) 6.871 ======================= Grid point 79 (31/80) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -1.273 6.413 2.194) 6.896 0.750 ( -1.802 3.830 4.057) 5.863 0.825 ( 5.018 6.997 5.339) 10.131 1.075 ( -3.124 -2.056 3.926) 5.422 1.108 ( -2.791 -2.612 0.908) 3.929 1.206 ( -9.303 1.520 2.916) 9.867 1.403 ( 4.711 3.595 2.113) 6.291 1.513 ( -0.010 2.791 1.524) 3.179 1.591 ( 2.997 4.625 3.207) 6.376 1.698 ( -1.713 1.274 -0.303) 2.156 1.740 ( -0.491 10.183 -1.723) 10.339 1.776 ( 0.875 3.173 -0.363) 3.312 1.826 ( -6.429 -3.114 1.407) 7.280 1.926 ( -0.633 4.702 4.792) 6.744 2.057 ( 0.388 1.389 -3.929) 4.185 2.129 ( 1.099 0.109 1.364) 1.755 2.205 ( -3.082 6.318 -2.544) 7.476 2.250 ( -2.767 -1.349 3.514) 4.672 2.314 ( 4.407 -0.575 1.425) 4.667 2.459 ( 1.170 -1.719 -1.569) 2.605 2.573 ( 1.415 2.284 -2.074) 3.394 2.617 ( 2.265 -1.174 0.513) 2.602 2.718 ( 1.467 2.203 -1.594) 3.090 2.767 ( -0.775 0.065 -3.493) 3.579 2.998 ( 1.191 -1.011 0.998) 1.854 3.024 ( 1.730 -2.720 -1.929) 3.757 3.109 ( 0.375 0.962 1.650) 1.947 3.162 ( 0.683 1.405 3.229) 3.587 3.330 ( -0.787 5.823 1.936) 6.187 3.410 ( -5.028 3.069 -1.687) 6.128 3.430 ( 2.827 3.130 1.394) 4.442 3.539 ( -2.398 3.848 1.394) 4.743 3.676 ( 0.908 1.333 2.417) 2.906 3.733 ( -2.922 0.893 1.865) 3.580 4.031 ( 2.848 -10.092 -2.970) 10.899 4.081 ( 0.662 -12.370 -2.147) 12.573 9.108 ( 1.409 -0.150 -0.082) 1.420 9.165 ( -0.967 0.009 -0.961) 1.363 9.240 ( 0.629 -1.410 0.543) 1.637 9.253 ( 0.871 -0.380 0.577) 1.112 9.351 ( 3.455 1.183 -1.141) 3.826 9.422 ( -1.334 2.044 -0.755) 2.555 9.437 ( -2.236 -1.536 -0.891) 2.855 9.467 ( -2.408 2.259 -1.173) 3.504 11.141 ( 0.774 2.419 -0.478) 2.584 11.214 ( -3.729 2.594 -2.511) 5.190 11.427 ( -0.411 -2.940 -0.508) 3.012 11.432 ( -0.807 -2.003 0.109) 2.163 11.571 ( 0.223 1.739 -0.059) 1.755 11.591 ( -0.861 1.894 1.748) 2.717 11.700 ( 1.767 0.866 1.257) 2.335 11.790 ( -2.501 -1.084 0.826) 2.848 12.069 ( 4.585 -0.867 0.607) 4.706 12.145 ( 6.570 -5.363 -0.229) 8.484 12.231 ( -3.130 -1.120 1.063) 3.490 12.310 ( -1.997 -3.438 -0.021) 3.976 23.830 ( -0.239 0.364 0.146) 0.459 23.836 ( -0.485 0.373 0.080) 0.617 23.872 ( 0.351 -0.461 -0.289) 0.648 23.874 ( 0.190 -0.417 -0.270) 0.532 25.218 ( 2.305 4.571 -2.354) 5.635 25.334 ( -3.412 4.731 -5.885) 8.286 25.393 ( 1.284 1.709 -2.878) 3.585 25.436 ( -0.300 2.856 -2.213) 3.625 25.518 ( 2.833 2.051 3.283) 4.796 25.694 ( -6.178 4.483 5.602) 9.468 25.842 ( 2.327 0.835 0.356) 2.498 26.017 ( -5.116 -0.576 3.218) 6.071 26.062 ( 4.669 1.881 0.881) 5.110 26.250 ( -4.365 1.177 -0.104) 4.522 26.666 ( 6.736 -10.587 -0.885) 12.579 26.802 ( -1.277 -8.226 -1.256) 8.419 ======================= Grid point 80 (32/80) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -1.776 2.472 2.398) 3.875 0.710 ( 1.776 2.472 2.398) 3.875 0.962 ( -8.665 2.803 5.744) 10.768 0.962 ( 8.665 2.803 5.744) 10.768 1.094 ( -1.916 -0.543 1.702) 2.620 1.094 ( 1.916 -0.543 1.702) 2.620 1.478 ( -3.293 3.558 2.379) 5.401 1.478 ( 3.293 3.558 2.379) 5.401 1.656 ( -3.549 0.226 2.013) 4.086 1.656 ( 3.549 0.226 2.013) 4.086 1.733 ( -1.102 5.578 -2.578) 6.243 1.733 ( 1.102 5.578 -2.578) 6.243 1.865 ( -5.436 2.105 2.216) 6.236 1.865 ( 5.436 2.105 2.216) 6.236 2.114 ( -5.249 5.024 -0.779) 7.307 2.114 ( 5.249 5.024 -0.779) 7.307 2.176 ( -3.691 -1.344 1.191) 4.104 2.176 ( 3.691 -1.344 1.191) 4.104 2.425 ( -4.905 0.680 1.306) 5.121 2.425 ( 4.905 0.680 1.306) 5.121 2.614 ( -2.377 -0.794 -2.306) 3.406 2.614 ( 2.377 -0.794 -2.306) 3.406 2.744 ( -1.397 4.192 -2.264) 4.965 2.744 ( 1.397 4.192 -2.264) 4.965 3.020 ( -1.281 -2.562 -0.017) 2.864 3.020 ( 1.281 -2.562 -0.017) 2.864 3.148 ( -2.432 1.888 2.808) 4.167 3.148 ( 2.432 1.888 2.808) 4.167 3.342 ( -2.148 3.641 -0.224) 4.233 3.342 ( 2.148 3.641 -0.224) 4.233 3.485 ( -3.193 3.260 1.445) 4.787 3.485 ( 3.193 3.260 1.445) 4.787 3.695 ( -1.304 1.071 2.033) 2.642 3.695 ( 1.304 1.071 2.033) 2.642 4.073 ( -1.457 -11.572 -2.878) 12.013 4.073 ( 1.457 -11.572 -2.878) 12.013 9.138 ( -1.708 0.066 -0.342) 1.743 9.138 ( 1.708 0.066 -0.342) 1.743 9.256 ( -0.633 -1.073 0.239) 1.269 9.256 ( 0.633 -1.073 0.239) 1.269 9.407 ( -1.254 0.590 -0.708) 1.556 9.407 ( 1.254 0.590 -0.708) 1.556 9.417 ( -2.209 1.653 -1.262) 3.034 9.417 ( 2.209 1.653 -1.262) 3.034 11.164 ( -1.812 2.324 -1.129) 3.156 11.164 ( 1.812 2.324 -1.129) 3.156 11.424 ( -0.119 -2.582 -0.300) 2.602 11.424 ( 0.119 -2.582 -0.300) 2.602 11.578 ( -0.578 2.041 1.055) 2.369 11.578 ( 0.578 2.041 1.055) 2.369 11.742 ( -2.578 -0.437 0.805) 2.736 11.742 ( 2.578 -0.437 0.805) 2.736 12.152 ( -4.185 -0.692 0.518) 4.273 12.152 ( 4.185 -0.692 0.518) 4.273 12.254 ( -4.074 -4.810 0.152) 6.305 12.254 ( 4.074 -4.810 0.152) 6.305 23.829 ( -0.176 0.414 0.140) 0.471 23.829 ( 0.176 0.414 0.140) 0.471 23.876 ( -0.060 -0.502 -0.320) 0.598 23.876 ( 0.060 -0.502 -0.320) 0.598 25.270 ( -3.281 5.159 -4.229) 7.434 25.270 ( 3.281 5.159 -4.229) 7.434 25.420 ( -1.337 2.104 -2.674) 3.656 25.420 ( 1.337 2.104 -2.674) 3.656 25.589 ( -4.842 3.649 5.509) 8.192 25.589 ( 4.842 3.649 5.509) 8.192 25.917 ( -5.155 0.021 1.341) 5.327 25.917 ( 5.155 0.021 1.341) 5.327 26.159 ( -5.335 1.561 0.596) 5.590 26.159 ( 5.335 1.561 0.596) 5.590 26.759 ( -3.526 -9.805 -1.592) 10.541 26.759 ( 3.526 -9.805 -1.592) 10.541 ======================= Grid point 84 (33/80) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 1.244 -4.476) 4.645 0.966 ( 0.000 12.490 1.251) 12.553 0.973 ( 0.000 -3.034 -4.283) 5.249 1.140 ( 0.000 10.179 1.940) 10.362 1.274 ( 0.000 0.882 6.933) 6.988 1.316 ( 0.000 6.370 5.180) 8.210 1.476 ( 0.000 -3.562 2.752) 4.502 1.532 ( 0.000 1.170 1.778) 2.129 1.569 ( 0.000 9.512 1.618) 9.649 1.768 ( 0.000 0.476 4.696) 4.720 1.801 ( 0.000 -6.490 -3.921) 7.583 1.882 ( 0.000 -1.113 1.900) 2.202 1.988 ( 0.000 -3.791 -1.111) 3.951 2.048 ( 0.000 4.144 1.966) 4.587 2.072 ( 0.000 -3.474 5.133) 6.198 2.094 ( 0.000 6.167 2.241) 6.561 2.125 ( 0.000 2.131 -0.399) 2.168 2.273 ( 0.000 -5.111 3.633) 6.270 2.346 ( 0.000 -3.408 0.791) 3.499 2.450 ( 0.000 -1.458 -1.212) 1.896 2.469 ( 0.000 5.433 -6.097) 8.167 2.534 ( 0.000 -0.679 1.358) 1.519 2.603 ( 0.000 -4.313 0.264) 4.321 2.778 ( 0.000 11.363 -2.944) 11.738 2.907 ( 0.000 -2.726 -8.021) 8.472 3.016 ( 0.000 2.462 -3.296) 4.114 3.148 ( 0.000 1.186 0.142) 1.194 3.210 ( 0.000 -0.405 3.340) 3.365 3.313 ( 0.000 1.065 2.448) 2.670 3.504 ( 0.000 -4.209 -1.569) 4.492 3.534 ( 0.000 4.554 5.216) 6.924 3.684 ( 0.000 3.395 0.743) 3.475 3.707 ( 0.000 -0.259 1.730) 1.749 3.765 ( 0.000 -1.346 -1.938) 2.360 3.819 ( 0.000 -6.303 3.152) 7.047 3.882 ( 0.000 -3.794 -0.083) 3.795 9.082 ( 0.000 0.579 -0.014) 0.579 9.138 ( 0.000 -1.602 -1.070) 1.926 9.217 ( 0.000 -0.464 1.785) 1.844 9.222 ( 0.000 -0.281 0.530) 0.600 9.309 ( 0.000 1.849 -0.580) 1.938 9.421 ( 0.000 -3.587 -0.899) 3.698 9.528 ( 0.000 2.773 -0.972) 2.938 9.557 ( 0.000 1.396 -1.247) 1.872 11.197 ( 0.000 3.553 -0.473) 3.585 11.343 ( 0.000 -1.838 -2.143) 2.823 11.412 ( 0.000 -0.828 -3.924) 4.010 11.446 ( 0.000 -1.322 -1.272) 1.835 11.584 ( 0.000 1.402 -1.296) 1.910 11.623 ( 0.000 0.084 -2.293) 2.294 11.756 ( 0.000 -0.169 5.244) 5.247 11.808 ( 0.000 -2.100 2.758) 3.467 11.839 ( 0.000 2.036 0.727) 2.162 11.939 ( 0.000 -1.959 0.609) 2.052 12.290 ( 0.000 -0.810 0.334) 0.876 12.294 ( 0.000 -1.073 0.095) 1.078 23.849 ( 0.000 0.037 -0.060) 0.071 23.850 ( 0.000 -0.023 -0.036) 0.042 23.858 ( 0.000 0.197 -0.091) 0.217 23.862 ( 0.000 -0.063 -0.033) 0.071 25.250 ( 0.000 3.261 -1.842) 3.746 25.350 ( 0.000 -1.175 -1.891) 2.227 25.436 ( 0.000 1.432 1.609) 2.154 25.469 ( 0.000 0.135 0.478) 0.497 25.573 ( 0.000 5.549 -8.442) 10.103 25.769 ( 0.000 -1.766 -10.033) 10.187 25.936 ( 0.000 -0.153 2.980) 2.983 25.976 ( 0.000 -2.197 2.226) 3.128 26.174 ( 0.000 1.517 6.378) 6.556 26.264 ( 0.000 -2.370 4.385) 4.985 26.426 ( 0.000 3.962 1.514) 4.242 26.675 ( 0.000 -6.675 -0.696) 6.711 ======================= Grid point 85 (34/80) ======================= q-point: ( 0.17 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -6.347 1.370 -3.527) 7.389 0.911 ( -1.360 3.081 2.435) 4.156 1.024 ( 1.458 5.143 -0.176) 5.349 1.080 ( -6.071 7.679 5.137) 11.055 1.182 ( -6.236 0.768 6.815) 9.270 1.340 ( 0.335 5.936 5.717) 8.249 1.466 ( -5.917 -1.947 0.576) 6.255 1.525 ( 4.499 2.747 -1.973) 5.628 1.634 ( 2.746 0.097 0.569) 2.806 1.672 ( -2.949 2.937 4.159) 5.884 1.829 ( -4.453 -3.689 1.475) 5.967 1.857 ( -0.225 -0.939 0.325) 1.018 1.945 ( -2.667 0.031 3.375) 4.302 2.023 ( -1.514 -4.061 -1.442) 4.567 2.087 ( 2.360 5.673 0.992) 6.224 2.127 ( 1.162 5.641 3.063) 6.523 2.184 ( 5.801 -0.881 0.934) 5.941 2.252 ( -0.863 -1.111 1.240) 1.875 2.397 ( 2.481 -1.537 -2.041) 3.561 2.444 ( -0.078 1.418 -2.454) 2.835 2.491 ( 2.090 3.105 -1.936) 4.214 2.547 ( 1.406 -0.317 0.151) 1.449 2.623 ( 2.475 -6.461 -0.389) 6.930 2.800 ( 1.470 8.385 -2.398) 8.844 2.918 ( 1.585 -2.798 -5.892) 6.712 3.029 ( 0.964 2.125 -2.747) 3.604 3.138 ( -1.945 0.817 -0.462) 2.160 3.184 ( -0.286 1.272 4.595) 4.776 3.368 ( 4.261 0.424 1.560) 4.557 3.479 ( -2.545 -3.543 -1.109) 4.501 3.521 ( -1.442 4.846 4.398) 6.701 3.649 ( -3.011 0.783 2.045) 3.723 3.707 ( 0.481 3.018 1.645) 3.470 3.779 ( -2.710 -2.220 1.451) 3.792 3.804 ( 2.325 -5.279 -1.404) 5.937 3.890 ( 0.428 -4.924 0.294) 4.952 9.091 ( 0.900 0.626 0.038) 1.097 9.147 ( 0.915 -1.476 -1.042) 2.025 9.217 ( -0.121 -0.294 1.597) 1.628 9.233 ( 0.792 -0.361 0.408) 0.961 9.320 ( 1.513 1.384 -0.692) 2.165 9.409 ( -1.015 -3.075 -0.900) 3.361 9.514 ( -1.530 2.605 -0.916) 3.157 9.543 ( -1.454 1.287 -1.278) 2.325 11.198 ( 0.076 3.506 -0.729) 3.582 11.331 ( -1.982 0.436 -3.440) 3.994 11.374 ( -2.400 -2.400 -1.747) 3.818 11.421 ( -2.115 -1.697 -1.066) 2.914 11.595 ( 0.842 1.426 -1.019) 1.944 11.625 ( 0.271 0.533 -1.405) 1.527 11.729 ( -1.489 1.371 3.811) 4.315 11.797 ( -1.465 -1.665 2.748) 3.531 11.923 ( 6.962 -1.020 0.639) 7.065 11.971 ( 3.371 -1.754 0.613) 3.849 12.267 ( -2.060 -0.495 0.337) 2.145 12.288 ( -1.142 -1.574 0.085) 1.947 23.843 ( -0.292 0.309 -0.000) 0.425 23.853 ( -0.342 0.326 -0.080) 0.479 23.857 ( 0.283 -0.280 -0.082) 0.406 23.864 ( 0.124 -0.212 -0.125) 0.275 25.263 ( 1.436 3.300 -2.391) 4.321 25.361 ( 1.156 -1.017 -2.364) 2.821 25.439 ( -0.027 1.600 -0.169) 1.609 25.474 ( 0.278 0.252 -0.683) 0.779 25.569 ( 0.119 5.571 -5.329) 7.710 25.767 ( 0.072 -1.913 -7.631) 7.868 25.913 ( -3.802 0.892 5.041) 6.377 25.977 ( 1.257 -1.665 2.839) 3.524 26.143 ( -2.044 3.159 5.269) 6.474 26.313 ( 3.512 -2.842 0.007) 4.518 26.418 ( -0.327 1.595 2.860) 3.290 26.664 ( -1.251 -7.126 -0.728) 7.272 ======================= Grid point 86 (35/80) ======================= q-point: ( 0.33 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -2.312 2.320 1.755) 3.715 0.894 ( -2.466 1.100 4.389) 5.153 0.927 ( -5.465 3.568 7.332) 9.816 1.022 ( -5.621 -1.960 7.410) 9.505 1.112 ( 1.521 5.533 2.880) 6.420 1.280 ( -6.540 6.295 5.828) 10.787 1.418 ( 1.437 -3.669 1.073) 4.084 1.544 ( -3.788 0.130 2.433) 4.504 1.618 ( 0.654 0.528 0.694) 1.090 1.700 ( -1.179 -1.704 -0.509) 2.134 1.769 ( 0.845 -1.316 0.333) 1.599 1.819 ( -2.289 -0.747 1.385) 2.778 1.902 ( -0.400 1.925 1.555) 2.507 2.051 ( -0.539 5.213 -2.235) 5.697 2.110 ( 3.298 6.672 -3.627) 8.279 2.162 ( 2.494 4.212 3.850) 6.228 2.238 ( -0.948 2.387 0.883) 2.716 2.266 ( 1.549 -1.135 1.435) 2.397 2.415 ( 0.195 1.392 -4.206) 4.435 2.437 ( 0.031 2.723 -2.694) 3.830 2.551 ( 3.350 -1.419 0.123) 3.640 2.578 ( 1.433 -0.410 -1.992) 2.488 2.691 ( 4.506 -5.892 -1.228) 7.518 2.808 ( -0.639 2.408 -2.667) 3.650 2.961 ( 2.230 -1.553 -1.745) 3.229 3.030 ( -1.332 2.943 -0.796) 3.327 3.105 ( 0.181 -1.452 0.771) 1.655 3.197 ( 0.019 0.633 3.040) 3.105 3.424 ( -1.510 -0.279 -1.406) 2.082 3.441 ( 1.781 2.229 2.637) 3.885 3.491 ( -0.720 3.698 2.955) 4.788 3.591 ( -3.230 0.675 2.939) 4.419 3.716 ( 0.266 2.539 1.689) 3.061 3.732 ( -1.701 -0.269 0.822) 1.908 3.849 ( 2.122 -6.004 -1.383) 6.516 3.892 ( -0.267 -6.143 -0.055) 6.149 9.115 ( 1.636 0.772 0.079) 1.811 9.166 ( 0.630 -0.365 -0.970) 1.213 9.205 ( -0.617 -0.993 1.129) 1.625 9.241 ( -0.259 -1.039 0.258) 1.101 9.369 ( 3.463 0.627 -0.905) 3.634 9.399 ( 0.479 -1.217 -0.868) 1.570 9.474 ( -2.580 2.072 -0.793) 3.403 9.503 ( -2.807 0.981 -1.312) 3.250 11.203 ( 0.541 3.365 -1.312) 3.652 11.270 ( -3.432 2.744 -2.933) 5.283 11.357 ( -0.084 -3.577 -1.160) 3.761 11.384 ( -1.639 -2.499 -1.052) 3.169 11.610 ( 0.811 1.880 -0.069) 2.049 11.632 ( 0.261 1.701 0.835) 1.913 11.709 ( -0.431 0.117 2.048) 2.096 11.761 ( -2.279 -1.656 2.207) 3.579 12.046 ( 5.428 -1.149 0.149) 5.551 12.061 ( 6.417 -2.400 0.517) 6.871 12.216 ( -3.487 -0.369 0.394) 3.528 12.249 ( -3.099 -2.219 0.050) 3.812 23.839 ( -0.086 0.524 0.004) 0.532 23.845 ( -0.366 0.521 -0.038) 0.638 23.862 ( 0.220 -0.498 -0.184) 0.575 23.865 ( 0.008 -0.418 -0.200) 0.464 25.301 ( 2.634 3.365 -3.712) 5.660 25.387 ( 1.103 0.216 -3.304) 3.490 25.421 ( -1.410 1.582 -4.727) 5.180 25.469 ( -0.995 0.251 -3.004) 3.174 25.601 ( 3.498 5.272 1.961) 6.624 25.772 ( -1.224 1.345 0.361) 1.854 25.834 ( -2.117 -0.061 3.935) 4.468 25.965 ( -3.457 -3.442 4.436) 6.594 26.151 ( 3.426 5.640 1.353) 6.736 26.318 ( -3.087 4.584 -1.032) 5.623 26.463 ( 4.912 -8.186 1.367) 9.644 26.626 ( -2.924 -8.207 -0.806) 8.750 ======================= Grid point 87 (36/80) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -5.167 3.781 4.689) 7.936 0.782 ( 5.167 3.781 4.689) 7.936 0.934 ( -2.905 -3.796 8.386) 9.653 0.934 ( 2.905 -3.796 8.386) 9.653 1.174 ( -4.557 6.937 4.097) 9.256 1.174 ( 4.557 6.937 4.097) 9.256 1.464 ( -3.574 -3.795 3.687) 6.385 1.464 ( 3.574 -3.795 3.687) 6.385 1.649 ( -2.597 0.294 0.488) 2.659 1.649 ( 2.597 0.294 0.488) 2.659 1.792 ( -0.888 -3.986 0.714) 4.146 1.792 ( 0.888 -3.986 0.714) 4.146 1.967 ( -6.017 9.677 -3.422) 11.897 1.967 ( 6.017 9.677 -3.422) 11.897 2.202 ( -0.177 5.072 1.864) 5.407 2.202 ( 0.177 5.072 1.864) 5.407 2.223 ( -3.398 2.109 -1.272) 4.197 2.223 ( 3.398 2.109 -1.272) 4.197 2.432 ( -1.032 0.010 -1.706) 1.994 2.432 ( 1.032 0.010 -1.706) 1.994 2.588 ( -0.550 -0.878 -2.440) 2.651 2.588 ( 0.550 -0.878 -2.440) 2.651 2.771 ( -3.502 -2.676 -1.350) 4.609 2.771 ( 3.502 -2.676 -1.350) 4.609 2.993 ( -1.863 1.394 -0.818) 2.466 2.993 ( 1.863 1.394 -0.818) 2.466 3.154 ( -3.888 -2.283 2.081) 4.966 3.154 ( 3.888 -2.283 2.081) 4.966 3.427 ( -1.689 4.511 1.245) 4.975 3.427 ( 1.689 4.511 1.245) 4.975 3.530 ( -3.306 0.701 2.316) 4.097 3.530 ( 3.306 0.701 2.316) 4.097 3.718 ( -0.135 1.507 1.234) 1.953 3.718 ( 0.135 1.507 1.234) 1.953 3.879 ( -1.140 -6.643 -0.708) 6.777 3.879 ( 1.140 -6.643 -0.708) 6.777 9.148 ( -1.876 0.961 -0.069) 2.109 9.148 ( 1.876 0.961 -0.069) 2.109 9.221 ( -1.629 -2.072 0.179) 2.642 9.221 ( 1.629 -2.072 0.179) 2.642 9.424 ( -2.596 1.005 -0.718) 2.875 9.424 ( 2.596 1.005 -0.718) 2.875 9.443 ( -3.552 0.578 -1.223) 3.801 9.443 ( 3.552 0.578 -1.223) 3.801 11.222 ( -1.732 3.162 -1.973) 4.110 11.222 ( 1.732 3.162 -1.973) 4.110 11.363 ( -0.691 -3.174 -1.279) 3.491 11.363 ( 0.691 -3.174 -1.279) 3.491 11.626 ( -0.828 2.496 1.388) 2.974 11.626 ( 0.828 2.496 1.388) 2.974 11.722 ( -1.698 -1.534 1.432) 2.699 11.722 ( 1.698 -1.534 1.432) 2.699 12.138 ( -4.405 -0.467 0.216) 4.435 12.138 ( 4.405 -0.467 0.216) 4.435 12.173 ( -4.899 -2.719 0.247) 5.608 12.173 ( 4.899 -2.719 0.247) 5.608 23.840 ( -0.176 0.595 -0.017) 0.620 23.840 ( 0.176 0.595 -0.017) 0.620 23.865 ( -0.103 -0.534 -0.225) 0.589 23.865 ( 0.103 -0.534 -0.225) 0.589 25.356 ( -3.077 3.253 -4.882) 6.625 25.356 ( 3.077 3.253 -4.882) 6.625 25.439 ( -2.031 -0.310 -4.211) 4.685 25.439 ( 2.031 -0.310 -4.211) 4.685 25.688 ( -5.525 5.208 5.407) 9.322 25.688 ( 5.525 5.208 5.407) 9.322 25.881 ( -4.661 -3.224 2.402) 6.155 25.881 ( 4.661 -3.224 2.402) 6.155 26.237 ( -5.067 5.566 0.280) 7.532 26.237 ( 5.067 5.566 0.280) 7.532 26.556 ( -4.632 -9.180 -0.554) 10.297 26.556 ( 4.632 -9.180 -0.554) 10.297 ======================= Grid point 91 (37/80) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 -1.267 -6.347) 6.472 0.926 ( 0.000 1.267 -6.347) 6.472 1.217 ( 0.000 -8.485 2.313) 8.794 1.217 ( 0.000 8.485 2.313) 8.794 1.269 ( 0.000 -0.659 6.163) 6.198 1.269 ( 0.000 0.659 6.163) 6.198 1.541 ( 0.000 -9.143 -3.641) 9.842 1.541 ( 0.000 9.143 -3.641) 9.842 1.763 ( 0.000 -7.822 3.889) 8.735 1.763 ( 0.000 7.822 3.889) 8.735 1.804 ( 0.000 -6.453 3.176) 7.192 1.804 ( 0.000 6.453 3.176) 7.192 1.877 ( 0.000 -2.388 0.645) 2.474 1.877 ( 0.000 2.388 0.645) 2.474 2.123 ( 0.000 -2.188 8.245) 8.531 2.123 ( 0.000 2.188 8.245) 8.531 2.252 ( 0.000 -5.782 1.330) 5.933 2.252 ( 0.000 5.782 1.330) 5.933 2.344 ( 0.000 -8.421 -0.575) 8.441 2.344 ( 0.000 8.421 -0.575) 8.441 2.471 ( 0.000 -2.777 -2.098) 3.481 2.471 ( 0.000 2.777 -2.098) 3.481 2.780 ( 0.000 -9.364 -7.123) 11.765 2.780 ( 0.000 9.364 -7.123) 11.765 2.983 ( 0.000 -6.323 -3.278) 7.122 2.983 ( 0.000 6.323 -3.278) 7.122 3.187 ( 0.000 -1.951 -0.016) 1.951 3.187 ( 0.000 1.951 -0.016) 1.951 3.380 ( 0.000 -5.880 2.351) 6.333 3.380 ( 0.000 5.880 2.351) 6.333 3.617 ( 0.000 -3.769 5.635) 6.779 3.617 ( 0.000 3.769 5.635) 6.779 3.752 ( 0.000 -0.091 -1.165) 1.168 3.752 ( 0.000 0.091 -1.165) 1.168 3.807 ( 0.000 -3.491 0.537) 3.532 3.807 ( 0.000 3.491 0.537) 3.532 9.104 ( 0.000 -1.436 -0.317) 1.470 9.104 ( 0.000 1.436 -0.317) 1.470 9.216 ( 0.000 -0.256 0.991) 1.024 9.216 ( 0.000 0.256 0.991) 1.024 9.355 ( 0.000 -2.620 -0.620) 2.692 9.355 ( 0.000 2.620 -0.620) 2.692 9.565 ( 0.000 -0.672 -1.215) 1.388 9.565 ( 0.000 0.672 -1.215) 1.388 11.276 ( 0.000 -3.791 -0.696) 3.854 11.276 ( 0.000 3.791 -0.696) 3.854 11.420 ( 0.000 -1.034 -3.140) 3.306 11.420 ( 0.000 1.034 -3.140) 3.306 11.611 ( 0.000 -1.050 -2.255) 2.488 11.611 ( 0.000 1.050 -2.255) 2.488 11.770 ( 0.000 -1.379 3.995) 4.227 11.770 ( 0.000 1.379 3.995) 4.227 11.890 ( 0.000 -2.576 0.722) 2.675 11.890 ( 0.000 2.576 0.722) 2.675 12.282 ( 0.000 -0.094 0.157) 0.183 12.282 ( 0.000 0.094 0.157) 0.183 23.850 ( 0.000 -0.048 -0.020) 0.053 23.850 ( 0.000 0.048 -0.020) 0.053 23.861 ( 0.000 -0.072 -0.062) 0.095 23.861 ( 0.000 0.072 -0.062) 0.095 25.310 ( 0.000 -2.455 -2.308) 3.370 25.310 ( 0.000 2.455 -2.308) 3.370 25.462 ( 0.000 -0.880 1.701) 1.915 25.462 ( 0.000 0.880 1.701) 1.915 25.689 ( 0.000 -5.196 -9.776) 11.071 25.689 ( 0.000 5.196 -9.776) 11.071 25.943 ( 0.000 -0.914 3.173) 3.302 25.943 ( 0.000 0.914 3.173) 3.302 26.214 ( 0.000 -2.257 5.590) 6.028 26.214 ( 0.000 2.257 5.590) 6.028 26.538 ( 0.000 -6.194 -0.178) 6.197 26.538 ( 0.000 6.194 -0.178) 6.197 ======================= Grid point 93 (38/80) ======================= q-point: ( 0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -3.949 -2.302 -3.087) 5.516 0.880 ( -3.949 2.302 -3.087) 5.516 1.147 ( -7.034 -1.852 5.548) 9.148 1.147 ( -7.034 1.852 5.548) 9.148 1.267 ( -0.307 -9.046 3.501) 9.704 1.267 ( -0.307 9.046 3.501) 9.704 1.550 ( 0.381 -7.396 -1.469) 7.550 1.550 ( 0.381 7.396 -1.469) 7.550 1.696 ( -7.339 -9.696 3.729) 12.720 1.696 ( -7.339 9.696 3.729) 12.720 1.772 ( -0.299 -3.891 4.231) 5.756 1.772 ( -0.299 3.891 4.231) 5.756 1.926 ( 4.010 -4.628 -2.696) 6.691 1.926 ( 4.010 4.628 -2.696) 6.691 2.163 ( 3.395 -2.977 6.814) 8.175 2.163 ( 3.395 2.977 6.814) 8.175 2.278 ( 2.328 -4.059 -1.057) 4.797 2.278 ( 2.328 4.059 -1.057) 4.797 2.362 ( 1.202 -4.523 0.630) 4.722 2.362 ( 1.202 4.523 0.630) 4.722 2.497 ( 2.823 -2.174 -2.561) 4.388 2.497 ( 2.823 2.174 -2.561) 4.388 2.765 ( -1.516 -9.435 -5.442) 10.996 2.765 ( -1.516 9.435 -5.442) 10.996 2.989 ( 0.762 -5.734 -3.332) 6.676 2.989 ( 0.762 5.734 -3.332) 6.676 3.185 ( -0.800 -2.146 1.149) 2.563 3.185 ( -0.800 2.146 1.149) 2.563 3.387 ( 1.310 -2.858 1.793) 3.620 3.387 ( 1.310 2.858 1.793) 3.620 3.605 ( -1.314 -3.256 5.187) 6.263 3.605 ( -1.314 3.256 5.187) 6.263 3.749 ( -0.034 -0.427 -1.160) 1.237 3.749 ( -0.034 0.427 -1.160) 1.237 3.805 ( -0.341 -3.442 0.721) 3.533 3.805 ( -0.341 3.442 0.721) 3.533 9.114 ( 0.994 -1.464 -0.234) 1.785 9.114 ( 0.994 1.464 -0.234) 1.785 9.222 ( 0.368 -0.554 0.795) 1.036 9.222 ( 0.368 0.554 0.795) 1.036 9.355 ( 0.311 -2.073 -0.667) 2.199 9.355 ( 0.311 2.073 -0.667) 2.199 9.550 ( -1.663 -0.727 -1.192) 2.171 9.550 ( -1.663 0.727 -1.192) 2.171 11.276 ( 0.032 -3.811 -0.952) 3.929 11.276 ( 0.032 3.811 -0.952) 3.929 11.385 ( -3.115 -1.658 -2.721) 4.456 11.385 ( -3.115 1.658 -2.721) 4.456 11.621 ( 0.878 -0.879 -1.835) 2.216 11.621 ( 0.878 0.879 -1.835) 2.216 11.760 ( -1.284 -1.729 3.894) 4.450 11.760 ( -1.284 1.729 3.894) 4.450 11.934 ( 4.477 -1.546 0.446) 4.758 11.934 ( 4.477 1.546 0.446) 4.758 12.266 ( -1.702 -0.445 0.139) 1.765 12.266 ( -1.702 0.445 0.139) 1.765 23.850 ( 0.023 -0.320 -0.042) 0.323 23.850 ( 0.023 0.320 -0.042) 0.323 23.859 ( -0.139 -0.265 -0.080) 0.310 23.859 ( -0.139 0.265 -0.080) 0.310 25.324 ( 1.410 -2.401 -2.844) 3.980 25.324 ( 1.410 2.401 -2.844) 3.980 25.467 ( 0.249 -0.922 0.399) 1.035 25.467 ( 0.249 0.922 0.399) 1.035 25.686 ( 0.087 -5.188 -7.200) 8.875 25.686 ( 0.087 5.188 -7.200) 8.875 25.940 ( -1.000 -1.584 4.459) 4.836 25.940 ( -1.000 1.584 4.459) 4.836 26.224 ( 1.542 -4.340 3.500) 5.784 26.224 ( 1.542 4.340 3.500) 5.784 26.520 ( -1.963 -6.376 -0.097) 6.671 26.520 ( -1.963 6.376 -0.097) 6.671 ======================= Grid point 95 (39/80) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -1.257 -4.153 2.816) 5.173 0.823 ( -1.257 4.153 2.816) 5.173 0.991 ( -8.797 -1.510 7.939) 11.945 0.991 ( -8.797 1.510 7.939) 11.945 1.270 ( 1.377 -7.919 3.277) 8.680 1.270 ( 1.377 7.919 3.277) 8.680 1.472 ( -8.123 -8.354 7.170) 13.682 1.472 ( -8.123 8.354 7.170) 13.682 1.644 ( 1.677 -2.137 -2.874) 3.955 1.644 ( 1.677 2.137 -2.874) 3.955 1.749 ( -2.406 -1.151 1.989) 3.327 1.749 ( -2.406 1.151 1.989) 3.327 2.028 ( 6.975 -6.802 -3.308) 10.289 2.028 ( 6.975 6.802 -3.308) 10.289 2.210 ( 0.530 -4.094 3.434) 5.370 2.210 ( 0.530 4.094 3.434) 5.370 2.318 ( 1.916 -4.790 -2.600) 5.777 2.318 ( 1.916 4.790 -2.600) 5.777 2.371 ( -0.363 -4.260 0.308) 4.286 2.371 ( -0.363 4.260 0.308) 4.286 2.569 ( 4.684 -3.608 -3.243) 6.743 2.569 ( 4.684 3.608 -3.243) 6.743 2.726 ( -2.788 -8.444 -2.907) 9.356 2.726 ( -2.788 8.444 -2.907) 9.356 3.015 ( 2.130 -4.291 -1.612) 5.054 3.015 ( 2.130 4.291 -1.612) 5.054 3.142 ( -3.641 -4.651 2.291) 6.335 3.142 ( -3.641 4.651 2.291) 6.335 3.437 ( 3.775 -1.459 1.328) 4.260 3.437 ( 3.775 1.459 1.328) 4.260 3.568 ( -2.637 -2.592 3.652) 5.197 3.568 ( -2.637 2.592 3.652) 5.197 3.756 ( 0.732 -1.899 -0.400) 2.074 3.756 ( 0.732 1.899 -0.400) 2.074 3.793 ( -0.913 -3.119 0.801) 3.347 3.793 ( -0.913 3.119 0.801) 3.347 9.140 ( 1.817 -1.534 -0.076) 2.379 9.140 ( 1.817 1.534 -0.076) 2.379 9.214 ( -1.404 -1.267 0.366) 1.926 9.214 ( -1.404 1.267 0.366) 1.926 9.381 ( 2.625 -0.636 -0.748) 2.803 9.381 ( 2.625 0.636 -0.748) 2.803 9.506 ( -3.034 -0.763 -1.106) 3.318 9.506 ( -3.034 0.763 -1.106) 3.318 11.279 ( 0.331 -3.752 -1.532) 4.066 11.279 ( 0.331 3.752 -1.532) 4.066 11.329 ( -2.622 -2.726 -2.249) 4.400 11.329 ( -2.622 2.726 -2.249) 4.400 11.643 ( 1.544 -0.897 -0.309) 1.812 11.643 ( 1.544 0.897 -0.309) 1.812 11.724 ( -2.388 -1.554 3.110) 4.217 11.724 ( -2.388 1.554 3.110) 4.217 12.035 ( 5.929 -0.330 0.208) 5.942 12.035 ( 5.929 0.330 0.208) 5.942 12.218 ( -3.473 -0.701 0.110) 3.545 12.218 ( -3.473 0.701 0.110) 3.545 23.851 ( 0.077 -0.532 -0.088) 0.544 23.851 ( 0.077 0.532 -0.088) 0.544 23.856 ( -0.192 -0.474 -0.113) 0.524 23.856 ( -0.192 0.474 -0.113) 0.524 25.361 ( 2.539 -2.235 -3.995) 5.235 25.361 ( 2.539 2.235 -3.995) 5.235 25.456 ( -1.608 -1.332 -3.175) 3.800 25.456 ( -1.608 1.332 -3.175) 3.800 25.713 ( 3.120 -4.933 -0.827) 5.895 25.713 ( 3.120 4.933 -0.827) 5.895 25.889 ( -4.417 -3.583 5.647) 8.015 25.889 ( -4.417 3.583 5.647) 8.015 26.283 ( 4.622 -6.673 0.649) 8.143 26.283 ( 4.622 6.673 0.649) 8.143 26.465 ( -3.941 -6.815 -0.052) 7.873 26.465 ( -3.941 6.815 -0.052) 7.873 ======================= Grid point 97 (40/80) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -4.936 -3.396 7.260) 9.413 0.856 ( 3.092 -2.798 7.260) 8.373 0.856 ( -3.092 2.798 7.260) 8.373 0.856 ( 4.936 3.396 7.260) 9.413 1.336 ( -5.486 -7.642 5.301) 10.798 1.336 ( 4.458 -7.473 5.301) 10.189 1.336 ( -4.458 7.473 5.301) 10.189 1.336 ( 5.486 7.642 5.301) 10.798 1.693 ( -1.932 -3.716 -0.397) 4.207 1.693 ( -0.305 -3.591 -0.397) 3.626 1.693 ( 0.305 3.591 -0.397) 3.626 1.693 ( 1.932 3.716 -0.397) 4.207 2.157 ( -5.734 -6.781 -1.916) 9.084 2.157 ( 4.957 -6.626 -1.916) 8.494 2.157 ( -4.957 6.626 -1.916) 8.494 2.157 ( 5.734 6.781 -1.916) 9.084 2.352 ( -1.413 -6.999 -0.587) 7.165 2.352 ( 1.325 -6.995 -0.587) 7.143 2.352 ( -1.325 6.995 -0.587) 7.143 2.352 ( 1.413 6.999 -0.587) 7.165 2.658 ( -4.401 -6.397 -2.719) 8.227 2.658 ( 3.994 -6.329 -2.719) 7.963 2.658 ( -3.994 6.329 -2.719) 7.963 2.658 ( 4.401 6.397 -2.719) 8.227 3.070 ( -3.573 -4.712 1.123) 6.019 3.070 ( 3.023 -4.614 1.123) 5.629 3.070 ( -3.023 4.614 1.123) 5.629 3.070 ( 3.573 4.712 1.123) 6.019 3.509 ( -3.549 -2.610 2.113) 4.886 3.509 ( 1.481 -2.053 2.113) 3.297 3.509 ( -1.481 2.053 2.113) 3.297 3.509 ( 3.549 2.610 2.113) 4.886 3.773 ( -0.857 -3.790 0.442) 3.911 3.773 ( 0.707 -3.783 0.442) 3.873 3.773 ( -0.707 3.783 0.442) 3.873 3.773 ( 0.857 3.790 0.442) 3.911 9.178 ( -2.095 -1.774 0.087) 2.746 9.178 ( 0.991 -1.515 0.087) 1.812 9.178 ( -0.991 1.515 0.087) 1.812 9.178 ( 2.095 1.774 0.087) 2.746 9.442 ( -3.639 -0.548 -0.935) 3.797 9.442 ( -3.635 0.540 -0.935) 3.792 9.442 ( 3.635 -0.540 -0.935) 3.792 9.442 ( 3.639 0.548 -0.935) 3.797 11.293 ( -1.285 -3.421 -1.970) 4.151 11.293 ( 1.285 -3.421 -1.970) 4.151 11.293 ( -1.285 3.421 -1.970) 4.151 11.293 ( 1.285 3.421 -1.970) 4.151 11.679 ( -1.767 -2.277 1.610) 3.302 11.679 ( 0.066 -2.099 1.610) 2.646 11.679 ( -0.066 2.099 1.610) 2.646 11.679 ( 1.767 2.277 1.610) 3.302 12.139 ( -5.096 -0.635 0.117) 5.137 12.139 ( -5.075 0.592 0.117) 5.111 12.139 ( 5.075 -0.592 0.117) 5.111 12.139 ( 5.096 0.635 0.117) 5.137 23.853 ( -0.153 -0.582 -0.120) 0.614 23.853 ( 0.152 -0.582 -0.120) 0.614 23.853 ( -0.152 0.582 -0.120) 0.614 23.853 ( 0.153 0.582 -0.120) 0.614 25.412 ( -2.764 -2.046 -4.683) 5.810 25.412 ( 1.428 -1.670 -4.683) 5.173 25.412 ( -1.428 1.670 -4.683) 5.173 25.412 ( 2.764 2.046 -4.683) 5.810 25.794 ( -5.131 -4.707 3.883) 7.973 25.794 ( 3.794 -4.379 3.883) 6.975 25.794 ( -3.794 4.379 3.883) 6.975 25.794 ( 5.131 4.707 3.883) 7.973 26.378 ( -5.057 -7.604 -0.067) 9.132 26.378 ( 4.507 -7.517 -0.067) 8.765 26.378 ( -4.507 7.517 -0.067) 8.765 26.378 ( 5.057 7.604 -0.067) 9.132 ======================= Grid point 126 (41/80) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 0.000 10.830) 10.830 0.675 ( 0.000 0.000 15.687) 15.687 0.852 ( 0.000 0.000 4.505) 4.505 0.959 ( 0.000 0.000 -6.535) 6.535 1.160 ( 0.000 0.000 24.797) 24.797 1.222 ( 0.000 0.000 -7.567) 7.567 1.316 ( 0.000 0.000 -5.724) 5.724 1.330 ( 0.000 0.000 4.364) 4.364 1.337 ( 0.000 0.000 1.174) 1.174 1.471 ( 0.000 0.000 4.683) 4.683 1.872 ( 0.000 0.000 1.545) 1.545 1.873 ( 0.000 0.000 1.596) 1.596 1.988 ( 0.000 0.000 0.613) 0.613 2.016 ( 0.000 0.000 1.394) 1.394 2.034 ( 0.000 0.000 7.372) 7.372 2.206 ( 0.000 0.000 4.821) 4.821 2.209 ( 0.000 0.000 1.124) 1.124 2.210 ( 0.000 0.000 -2.311) 2.311 2.256 ( 0.000 0.000 -2.609) 2.609 2.297 ( 0.000 0.000 -1.036) 1.036 2.481 ( 0.000 0.000 2.413) 2.413 2.647 ( 0.000 0.000 -10.170) 10.170 2.704 ( 0.000 0.000 -3.044) 3.044 2.797 ( 0.000 0.000 -5.322) 5.322 3.071 ( 0.000 0.000 0.296) 0.296 3.082 ( 0.000 0.000 1.286) 1.286 3.150 ( 0.000 0.000 -0.872) 0.872 3.240 ( 0.000 0.000 4.298) 4.298 3.242 ( 0.000 0.000 1.818) 1.818 3.260 ( 0.000 0.000 4.822) 4.822 3.346 ( 0.000 0.000 -0.635) 0.635 3.425 ( 0.000 0.000 0.476) 0.476 3.640 ( 0.000 0.000 1.689) 1.689 3.809 ( 0.000 0.000 -3.018) 3.018 4.110 ( 0.000 0.000 -2.621) 2.621 4.222 ( 0.000 0.000 -7.932) 7.932 9.098 ( 0.000 0.000 0.079) 0.079 9.175 ( 0.000 0.000 -2.071) 2.071 9.217 ( 0.000 0.000 -0.088) 0.088 9.224 ( 0.000 0.000 -0.238) 0.238 9.336 ( 0.000 0.000 1.501) 1.501 9.372 ( 0.000 0.000 2.528) 2.528 9.422 ( 0.000 0.000 -1.120) 1.120 9.554 ( 0.000 0.000 -2.959) 2.959 11.093 ( 0.000 0.000 1.929) 1.929 11.168 ( 0.000 0.000 -0.018) 0.018 11.494 ( 0.000 0.000 -0.729) 0.729 11.516 ( 0.000 0.000 -1.104) 1.104 11.526 ( 0.000 0.000 0.951) 0.951 11.549 ( 0.000 0.000 0.695) 0.695 11.809 ( 0.000 0.000 0.880) 0.880 11.921 ( 0.000 0.000 1.621) 1.621 11.921 ( 0.000 0.000 -2.123) 2.123 12.004 ( 0.000 0.000 -0.794) 0.794 12.358 ( 0.000 0.000 0.494) 0.494 12.372 ( 0.000 0.000 0.052) 0.052 23.851 ( 0.000 0.000 -0.015) 0.015 23.853 ( 0.000 0.000 0.023) 0.023 23.863 ( 0.000 0.000 0.042) 0.042 23.869 ( 0.000 0.000 -0.141) 0.141 25.081 ( 0.000 0.000 1.319) 1.319 25.088 ( 0.000 0.000 0.869) 0.869 25.306 ( 0.000 0.000 -0.507) 0.507 25.353 ( 0.000 0.000 -1.660) 1.660 25.486 ( 0.000 0.000 1.518) 1.518 25.627 ( 0.000 0.000 -3.246) 3.246 25.966 ( 0.000 0.000 0.105) 0.105 26.009 ( 0.000 0.000 -1.461) 1.461 26.217 ( 0.000 0.000 5.456) 5.456 26.471 ( 0.000 0.000 -2.401) 2.401 26.555 ( 0.000 0.000 6.340) 6.340 26.945 ( 0.000 0.000 -5.875) 5.875 ======================= Grid point 127 (42/80) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 4.884 0.000 8.965) 10.209 0.574 ( -6.552 0.000 16.821) 18.052 0.855 ( 0.252 0.000 3.533) 3.542 0.972 ( 0.484 0.000 -5.651) 5.672 1.166 ( -2.934 0.000 -4.336) 5.235 1.192 ( -1.989 0.000 5.967) 6.290 1.354 ( 2.584 0.000 2.871) 3.863 1.365 ( 7.368 0.000 7.634) 10.610 1.446 ( 8.873 0.000 0.027) 8.873 1.483 ( -5.375 0.000 3.513) 6.422 1.698 ( -1.959 0.000 3.578) 4.079 1.776 ( -9.813 0.000 -0.441) 9.823 1.973 ( -4.325 0.000 1.891) 4.720 2.065 ( -0.341 0.000 6.992) 7.000 2.142 ( -5.373 0.000 3.127) 6.217 2.147 ( 10.018 0.000 4.521) 10.990 2.165 ( -3.095 0.000 0.520) 3.138 2.247 ( 3.070 0.000 -4.937) 5.814 2.269 ( 0.801 0.000 -1.346) 1.566 2.351 ( 4.529 0.000 -2.621) 5.233 2.453 ( -2.446 0.000 3.564) 4.323 2.645 ( -0.884 0.000 -6.686) 6.744 2.707 ( -1.036 0.000 -2.551) 2.753 2.788 ( -1.278 0.000 -5.151) 5.307 3.044 ( -2.096 0.000 2.200) 3.038 3.082 ( 0.101 0.000 1.089) 1.093 3.143 ( -0.934 0.000 -0.953) 1.334 3.192 ( -2.328 0.000 5.498) 5.970 3.246 ( 0.807 0.000 2.183) 2.327 3.273 ( -0.472 0.000 2.906) 2.944 3.349 ( 0.094 0.000 -0.568) 0.576 3.391 ( -1.046 0.000 0.810) 1.323 3.650 ( 1.336 0.000 3.053) 3.333 3.813 ( -0.971 0.000 1.006) 1.398 4.140 ( 2.849 0.000 -4.403) 5.245 4.249 ( 2.168 0.000 -12.174) 12.365 9.102 ( 0.386 0.000 -0.124) 0.406 9.167 ( -0.876 0.000 -1.767) 1.973 9.220 ( 0.520 0.000 0.118) 0.534 9.238 ( 1.277 0.000 -0.481) 1.364 9.330 ( -0.560 0.000 1.458) 1.562 9.363 ( -0.594 0.000 2.053) 2.137 9.411 ( -1.120 0.000 -1.049) 1.534 9.526 ( -2.836 0.000 -2.750) 3.950 11.098 ( 0.616 0.000 1.816) 1.918 11.164 ( -0.446 0.000 0.135) 0.466 11.494 ( 0.039 0.000 -0.777) 0.778 11.513 ( -0.266 0.000 -1.099) 1.131 11.518 ( -0.230 0.000 1.691) 1.706 11.572 ( 1.592 0.000 -0.022) 1.593 11.720 ( -4.798 0.000 3.771) 6.102 11.851 ( -3.048 0.000 -0.994) 3.205 12.016 ( 4.810 0.000 0.699) 4.861 12.134 ( 8.838 0.000 -4.310) 9.833 12.337 ( -1.227 0.000 0.940) 1.546 12.389 ( 0.915 0.000 -0.498) 1.042 23.840 ( -0.511 0.000 0.384) 0.640 23.855 ( -0.621 0.000 0.297) 0.688 23.865 ( 0.651 0.000 -0.364) 0.745 23.875 ( 0.329 0.000 -0.325) 0.462 25.082 ( 0.044 0.000 1.300) 1.300 25.088 ( -0.055 0.000 0.915) 0.917 25.309 ( 0.330 0.000 -0.598) 0.684 25.350 ( -0.333 0.000 -1.594) 1.628 25.495 ( 1.059 0.000 1.755) 2.050 25.642 ( 1.295 0.000 -3.053) 3.317 25.922 ( -6.093 0.000 4.399) 7.515 25.997 ( 1.319 0.000 0.155) 1.328 26.149 ( -4.603 0.000 5.146) 6.904 26.361 ( -5.861 0.000 -0.718) 5.905 26.732 ( 10.040 0.000 -1.337) 10.129 26.958 ( 1.015 0.000 -5.512) 5.604 ======================= Grid point 128 (43/80) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 6.469 0.000 8.698) 10.840 0.650 ( 6.872 0.000 5.619) 8.877 0.844 ( -2.236 0.000 3.386) 4.058 0.978 ( 1.418 0.000 -4.900) 5.101 1.089 ( -12.332 0.000 -5.184) 13.377 1.116 ( -3.361 0.000 -4.383) 5.523 1.263 ( -5.171 0.000 7.049) 8.743 1.446 ( -6.879 0.000 5.865) 9.040 1.449 ( 7.525 0.000 4.393) 8.713 1.605 ( 6.737 0.000 0.834) 6.788 1.691 ( 4.391 0.000 2.354) 4.982 1.791 ( 5.452 0.000 1.417) 5.633 1.878 ( -4.525 0.000 1.009) 4.636 2.019 ( -1.991 0.000 10.547) 10.733 2.030 ( -6.683 0.000 0.509) 6.702 2.122 ( -2.065 0.000 -0.870) 2.241 2.276 ( 4.282 0.000 1.929) 4.697 2.279 ( 0.685 0.000 0.261) 0.733 2.345 ( 7.643 0.000 -0.346) 7.651 2.368 ( -3.223 0.000 1.751) 3.668 2.487 ( 6.692 0.000 -1.386) 6.834 2.583 ( -6.770 0.000 0.264) 6.775 2.629 ( -5.924 0.000 -1.822) 6.198 2.735 ( -4.701 0.000 -4.674) 6.629 3.054 ( 3.081 0.000 3.640) 4.769 3.088 ( 0.585 0.000 0.767) 0.964 3.121 ( -1.166 0.000 -0.208) 1.184 3.159 ( -1.871 0.000 4.302) 4.691 3.275 ( 2.096 0.000 1.627) 2.653 3.284 ( 2.360 0.000 0.975) 2.553 3.342 ( -0.963 0.000 -0.154) 0.975 3.385 ( -0.771 0.000 -0.003) 0.771 3.684 ( 2.093 0.000 4.368) 4.844 3.772 ( -2.841 0.000 4.203) 5.073 4.199 ( 3.321 0.000 -7.997) 8.659 4.274 ( 0.144 0.000 -13.619) 13.620 9.112 ( 0.716 0.000 -0.559) 0.908 9.147 ( -1.110 0.000 -1.358) 1.754 9.236 ( 1.136 0.000 0.309) 1.177 9.262 ( 0.820 0.000 -0.513) 0.967 9.322 ( 0.101 0.000 1.037) 1.042 9.365 ( 0.983 0.000 0.578) 1.141 9.382 ( -1.939 0.000 -0.804) 2.099 9.462 ( -3.730 0.000 -2.071) 4.266 11.114 ( 1.009 0.000 1.499) 1.807 11.152 ( -0.839 0.000 0.534) 0.995 11.496 ( 0.162 0.000 -0.889) 0.903 11.507 ( -0.389 0.000 -1.072) 1.140 11.523 ( 0.820 0.000 2.312) 2.453 11.578 ( -1.293 0.000 1.442) 1.937 11.689 ( 1.359 0.000 1.909) 2.344 11.795 ( -3.106 0.000 -1.140) 3.308 12.108 ( 4.916 0.000 1.457) 5.128 12.227 ( 0.470 0.000 -1.713) 1.777 12.340 ( 2.069 0.000 -0.913) 2.262 12.398 ( -0.093 0.000 -1.162) 1.166 23.834 ( -0.138 0.000 0.639) 0.654 23.843 ( -0.552 0.000 0.574) 0.797 23.875 ( 0.405 0.000 -0.592) 0.718 23.879 ( 0.149 0.000 -0.526) 0.547 25.083 ( 0.082 0.000 1.242) 1.245 25.086 ( -0.093 0.000 1.026) 1.030 25.318 ( 0.573 0.000 -0.836) 1.014 25.341 ( -0.575 0.000 -1.408) 1.521 25.527 ( 2.408 0.000 2.344) 3.361 25.644 ( -2.068 0.000 0.052) 2.069 25.850 ( 0.085 0.000 5.226) 5.227 26.000 ( -3.110 0.000 0.650) 3.177 26.105 ( 1.371 0.000 2.253) 2.638 26.259 ( -5.183 0.000 -1.402) 5.370 26.873 ( 5.457 0.000 -3.527) 6.498 26.967 ( -0.241 0.000 -4.798) 4.804 ======================= Grid point 129 (44/80) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -5.571 0.000 3.562) 6.613 0.768 ( 5.571 0.000 3.562) 6.613 0.788 ( -16.523 0.000 -1.116) 16.561 0.788 ( 16.523 0.000 -1.116) 16.561 1.038 ( -4.491 0.000 -4.222) 6.163 1.038 ( 4.491 0.000 -4.222) 6.163 1.299 ( -6.476 0.000 4.804) 8.063 1.299 ( 6.476 0.000 4.804) 8.063 1.597 ( -6.941 0.000 4.792) 8.435 1.597 ( 6.941 0.000 4.792) 8.435 1.788 ( -4.491 0.000 1.592) 4.764 1.788 ( 4.491 0.000 1.592) 4.764 1.900 ( -6.466 0.000 -2.026) 6.776 1.900 ( 6.466 0.000 -2.026) 6.776 2.064 ( -4.411 0.000 4.114) 6.032 2.064 ( 4.411 0.000 4.114) 6.032 2.309 ( -2.665 0.000 2.330) 3.540 2.309 ( 2.665 0.000 2.330) 3.540 2.383 ( -7.080 0.000 4.732) 8.516 2.383 ( 7.080 0.000 4.732) 8.516 2.521 ( -5.361 0.000 -1.380) 5.536 2.521 ( 5.361 0.000 -1.380) 5.536 2.621 ( -7.195 0.000 -3.691) 8.086 2.621 ( 7.195 0.000 -3.691) 8.086 3.102 ( -0.882 0.000 0.421) 0.978 3.102 ( 0.882 0.000 0.421) 0.978 3.115 ( -2.923 0.000 3.732) 4.740 3.115 ( 2.923 0.000 3.732) 4.740 3.314 ( -1.963 0.000 0.641) 2.065 3.314 ( 1.963 0.000 0.641) 2.065 3.345 ( -3.371 0.000 -0.195) 3.376 3.345 ( 3.371 0.000 -0.195) 3.376 3.724 ( -2.319 0.000 4.756) 5.291 3.724 ( 2.319 0.000 4.756) 5.291 4.253 ( -2.250 0.000 -11.371) 11.592 4.253 ( 2.250 0.000 -11.371) 11.592 9.128 ( -0.981 0.000 -1.000) 1.401 9.128 ( 0.981 0.000 -1.000) 1.401 9.257 ( -1.030 0.000 0.228) 1.055 9.257 ( 1.030 0.000 0.228) 1.055 9.344 ( -1.966 0.000 -0.218) 1.978 9.344 ( 1.966 0.000 -0.218) 1.978 9.400 ( -2.774 0.000 -0.927) 2.925 9.400 ( 2.774 0.000 -0.927) 2.925 11.134 ( -1.070 0.000 1.037) 1.490 11.134 ( 1.070 0.000 1.037) 1.490 11.500 ( -0.325 0.000 -1.002) 1.053 11.500 ( 0.325 0.000 -1.002) 1.053 11.546 ( -1.657 0.000 2.514) 3.011 11.546 ( 1.657 0.000 2.514) 3.011 11.737 ( -3.131 0.000 -0.353) 3.151 11.737 ( 3.131 0.000 -0.353) 3.151 12.189 ( -3.648 0.000 1.100) 3.810 12.189 ( 3.648 0.000 1.100) 3.810 12.382 ( -1.728 0.000 -1.774) 2.476 12.382 ( 1.728 0.000 -1.774) 2.476 23.836 ( -0.267 0.000 0.702) 0.751 23.836 ( 0.267 0.000 0.702) 0.751 23.880 ( -0.103 0.000 -0.638) 0.646 23.880 ( 0.103 0.000 -0.638) 0.646 25.085 ( -0.102 0.000 1.147) 1.152 25.085 ( 0.102 0.000 1.147) 1.152 25.329 ( -0.663 0.000 -1.134) 1.314 25.329 ( 0.663 0.000 -1.134) 1.314 25.583 ( -3.572 0.000 2.702) 4.479 25.583 ( 3.572 0.000 2.702) 4.479 25.910 ( -5.155 0.000 1.945) 5.510 25.910 ( 5.155 0.000 1.945) 5.510 26.170 ( -4.498 0.000 -0.174) 4.501 26.170 ( 4.498 0.000 -0.174) 4.501 26.944 ( -2.409 0.000 -4.170) 4.816 26.944 ( 2.409 0.000 -4.170) 4.816 ======================= Grid point 133 (45/80) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 9.094 12.364) 15.348 0.742 ( 0.000 6.441 12.894) 14.413 0.912 ( 0.000 2.111 3.924) 4.456 1.134 ( 0.000 11.308 -5.083) 12.397 1.142 ( 0.000 -0.099 2.522) 2.524 1.223 ( 0.000 -0.159 -5.528) 5.531 1.292 ( 0.000 6.695 15.997) 17.342 1.332 ( 0.000 2.762 1.128) 2.983 1.465 ( 0.000 -0.208 4.145) 4.150 1.540 ( 0.000 10.568 -5.104) 11.736 1.881 ( 0.000 0.868 1.598) 1.819 1.882 ( 0.000 -0.915 5.212) 5.292 2.000 ( 0.000 -0.166 2.857) 2.862 2.018 ( 0.000 0.396 1.040) 1.113 2.067 ( 0.000 4.891 0.428) 4.910 2.077 ( 0.000 -6.798 2.625) 7.287 2.198 ( 0.000 -0.023 1.381) 1.381 2.206 ( 0.000 -0.619 1.451) 1.578 2.324 ( 0.000 1.813 -1.930) 2.648 2.353 ( 0.000 4.321 -3.949) 5.854 2.485 ( 0.000 -10.700 -7.696) 13.180 2.520 ( 0.000 3.077 2.542) 3.991 2.716 ( 0.000 0.661 -2.584) 2.667 2.810 ( 0.000 -0.957 -3.335) 3.469 2.973 ( 0.000 -6.266 2.362) 6.697 3.011 ( 0.000 -3.318 -0.790) 3.411 3.158 ( 0.000 -1.226 1.855) 2.224 3.283 ( 0.000 3.699 3.098) 4.825 3.287 ( 0.000 -2.557 0.509) 2.607 3.337 ( 0.000 6.583 3.389) 7.404 3.369 ( 0.000 7.582 0.999) 7.648 3.520 ( 0.000 4.655 -0.585) 4.692 3.667 ( 0.000 2.107 1.058) 2.357 3.794 ( 0.000 -1.411 -2.882) 3.209 4.059 ( 0.000 -4.360 -2.390) 4.972 4.158 ( 0.000 -5.413 -5.954) 8.047 9.092 ( 0.000 -0.504 0.174) 0.534 9.159 ( 0.000 -1.106 -1.712) 2.038 9.227 ( 0.000 0.228 -0.054) 0.235 9.233 ( 0.000 1.202 -0.334) 1.247 9.324 ( 0.000 -1.415 2.629) 2.986 9.388 ( 0.000 1.987 0.972) 2.212 9.441 ( 0.000 1.652 -1.369) 2.145 9.529 ( 0.000 -2.206 -2.749) 3.525 11.104 ( 0.000 1.030 1.503) 1.822 11.195 ( 0.000 2.017 -2.204) 2.988 11.478 ( 0.000 -1.440 -0.849) 1.671 11.498 ( 0.000 -1.421 -0.801) 1.631 11.538 ( 0.000 0.957 0.769) 1.228 11.564 ( 0.000 1.035 -0.046) 1.036 11.811 ( 0.000 0.268 0.954) 0.991 11.903 ( 0.000 -1.776 -0.870) 1.978 11.913 ( 0.000 -0.732 1.798) 1.942 11.993 ( 0.000 -0.734 0.111) 0.742 12.348 ( 0.000 -0.933 0.531) 1.073 12.360 ( 0.000 -1.160 0.170) 1.173 23.851 ( 0.000 -0.131 -0.016) 0.132 23.851 ( 0.000 -0.120 -0.019) 0.122 23.855 ( 0.000 -0.423 0.145) 0.447 23.866 ( 0.000 -0.200 -0.172) 0.264 25.111 ( 0.000 2.000 0.470) 2.054 25.157 ( 0.000 5.706 -2.800) 6.357 25.319 ( 0.000 1.017 -0.562) 1.162 25.368 ( 0.000 1.381 -1.421) 1.982 25.490 ( 0.000 0.336 1.540) 1.577 25.634 ( 0.000 0.549 -3.823) 3.862 25.970 ( 0.000 0.390 0.531) 0.659 26.020 ( 0.000 0.979 -1.376) 1.689 26.209 ( 0.000 -0.608 5.160) 5.196 26.435 ( 0.000 -2.967 -0.964) 3.120 26.535 ( 0.000 -1.749 6.468) 6.701 26.893 ( 0.000 -4.336 -4.319) 6.120 ======================= Grid point 134 (46/80) ======================= q-point: ( 0.17 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.617 8.145 11.559) 14.154 0.706 ( -1.292 9.403 11.694) 15.062 0.887 ( -2.610 -0.450 3.870) 4.690 1.095 ( -1.315 8.482 -2.543) 8.952 1.140 ( -0.867 2.945 0.321) 3.087 1.267 ( 1.052 1.189 -5.597) 5.817 1.336 ( 4.481 4.080 2.288) 6.478 1.432 ( 5.232 0.624 7.833) 9.440 1.454 ( 1.678 6.329 6.722) 9.384 1.574 ( -0.499 6.038 -3.652) 7.074 1.674 ( -5.587 -1.868 5.282) 7.912 1.825 ( -8.939 4.789 -1.541) 10.258 1.950 ( -4.361 -2.641 1.013) 5.198 2.050 ( 0.519 -0.958 4.924) 5.043 2.094 ( -1.075 -5.303 2.127) 5.814 2.157 ( -2.528 -0.688 2.257) 3.458 2.172 ( 2.847 1.923 6.040) 6.949 2.198 ( 5.121 1.160 -3.558) 6.343 2.346 ( -0.281 1.283 -3.759) 3.982 2.365 ( 2.793 1.545 -3.718) 4.900 2.493 ( -0.292 2.898 2.591) 3.899 2.549 ( 3.424 -5.093 -3.061) 6.858 2.692 ( -1.962 0.095 -3.634) 4.131 2.803 ( -2.039 -1.139 -2.425) 3.366 2.995 ( 2.514 -2.380 2.578) 4.316 3.034 ( 2.244 -3.921 -0.685) 4.570 3.163 ( 0.479 -1.200 1.852) 2.259 3.215 ( -3.910 0.863 2.913) 4.952 3.289 ( -2.942 5.572 2.730) 6.867 3.329 ( 1.132 1.527 0.055) 1.902 3.380 ( -1.007 7.155 1.769) 7.439 3.478 ( -1.967 5.059 0.123) 5.429 3.676 ( 1.124 1.951 2.383) 3.278 3.798 ( -0.568 -1.131 0.195) 1.281 4.080 ( 2.051 -5.338 -3.776) 6.853 4.173 ( 1.256 -6.423 -8.890) 11.040 9.096 ( 0.494 -0.410 0.018) 0.642 9.156 ( -0.366 -0.753 -1.607) 1.812 9.230 ( 0.449 0.646 0.120) 0.796 9.249 ( 1.392 0.884 -0.607) 1.757 9.319 ( -0.336 -1.211 2.278) 2.602 9.381 ( -0.627 1.949 0.741) 2.177 9.430 ( -1.158 1.609 -1.324) 2.384 9.504 ( -2.552 -1.949 -2.541) 4.095 11.107 ( 0.348 0.798 1.328) 1.588 11.180 ( -1.404 1.320 -1.427) 2.398 11.475 ( -0.327 -1.765 -0.859) 1.990 11.488 ( -0.730 -1.589 -0.313) 1.777 11.539 ( 0.186 1.171 0.653) 1.353 11.584 ( 1.438 0.823 -0.140) 1.663 11.733 ( -4.131 1.083 3.517) 5.532 11.849 ( -2.679 -0.220 -0.629) 2.761 12.012 ( 4.800 -0.492 0.530) 4.855 12.093 ( 8.225 -3.323 -2.079) 9.111 12.325 ( -1.587 -1.032 1.115) 2.197 12.372 ( 0.492 -1.563 -0.319) 1.670 23.840 ( -0.508 -0.043 0.324) 0.604 23.849 ( -0.494 -0.365 0.280) 0.675 23.863 ( 0.582 -0.186 -0.333) 0.696 23.870 ( 0.292 -0.301 -0.334) 0.537 25.112 ( 0.133 2.126 0.372) 2.162 25.151 ( -0.604 5.296 -2.263) 5.791 25.322 ( 0.324 0.970 -0.750) 1.268 25.366 ( -0.291 1.445 -1.558) 2.145 25.502 ( 1.380 0.632 1.964) 2.482 25.653 ( 1.740 0.868 -3.389) 3.907 25.950 ( -5.628 2.318 3.835) 7.194 25.996 ( 1.647 0.035 0.550) 1.736 26.155 ( -4.174 0.523 4.419) 6.101 26.341 ( -5.480 -1.644 -0.380) 5.734 26.677 ( 8.889 -4.644 0.547) 10.044 26.902 ( 0.667 -4.714 -4.080) 6.270 ======================= Grid point 135 (47/80) ======================= q-point: ( 0.33 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 3.600 6.310 7.088) 10.149 0.747 ( 4.668 8.042 6.970) 11.621 0.829 ( -3.197 -1.166 3.684) 5.015 1.090 ( -0.677 9.435 -0.211) 9.462 1.116 ( -2.076 0.658 -0.202) 2.188 1.162 ( -10.945 4.310 -4.841) 12.720 1.363 ( -2.427 7.383 2.027) 8.032 1.454 ( 6.500 1.788 2.593) 7.223 1.490 ( -4.130 4.645 7.456) 9.707 1.604 ( 5.946 0.078 -0.447) 5.964 1.717 ( 0.287 1.843 -0.190) 1.875 1.740 ( 3.230 -2.826 1.356) 4.501 1.872 ( -3.037 -1.620 -0.702) 3.513 1.977 ( -6.703 -1.969 0.614) 7.014 2.045 ( -1.463 -0.185 7.547) 7.690 2.117 ( -1.945 -0.606 -0.436) 2.083 2.216 ( 3.411 -1.069 3.360) 4.906 2.325 ( -1.369 0.332 -1.281) 1.905 2.351 ( 7.633 1.424 3.521) 8.526 2.434 ( 3.618 1.517 -3.794) 5.458 2.479 ( -0.152 1.891 2.094) 2.826 2.591 ( -0.086 1.063 0.359) 1.125 2.647 ( -3.032 2.080 -3.129) 4.828 2.724 ( -5.721 -1.259 -2.654) 6.431 3.048 ( 2.643 -0.342 2.490) 3.647 3.086 ( 3.044 -2.953 0.430) 4.263 3.151 ( -2.602 0.391 2.998) 3.989 3.172 ( -0.251 2.391 1.684) 2.935 3.260 ( 0.087 1.298 0.964) 1.619 3.307 ( -2.080 2.946 0.012) 3.607 3.381 ( 1.534 4.613 1.617) 5.123 3.462 ( -1.116 4.687 0.270) 4.825 3.702 ( 1.539 1.367 3.639) 4.181 3.767 ( -2.280 -0.353 3.160) 3.913 4.127 ( 2.749 -6.483 -6.860) 9.831 4.188 ( 0.098 -7.277 -10.439) 12.725 9.109 ( 0.851 -0.204 -0.333) 0.936 9.145 ( -0.833 -0.150 -1.285) 1.538 9.244 ( 1.101 0.618 0.328) 1.305 9.271 ( 0.633 0.549 -0.427) 0.940 9.324 ( 1.173 -0.001 0.858) 1.453 9.373 ( 0.011 1.130 0.083) 1.134 9.400 ( -1.992 1.483 -1.134) 2.730 9.447 ( -3.321 -1.331 -1.909) 4.055 11.116 ( 0.705 0.327 0.919) 1.204 11.153 ( -1.313 0.302 -0.332) 1.387 11.469 ( -0.181 -2.241 -0.820) 2.393 11.476 ( -0.507 -2.080 -0.396) 2.177 11.547 ( 0.800 1.475 1.329) 2.140 11.592 ( -0.808 1.121 1.237) 1.855 11.704 ( 1.011 1.257 1.896) 2.489 11.798 ( -2.857 0.226 -0.743) 2.960 12.102 ( 4.824 -0.580 1.263) 5.021 12.204 ( 2.416 -2.308 -1.950) 3.869 12.306 ( 0.471 -2.544 0.837) 2.720 12.371 ( -0.711 -2.413 -0.789) 2.636 23.833 ( -0.183 -0.058 0.542) 0.575 23.839 ( -0.450 -0.242 0.482) 0.702 23.872 ( 0.350 -0.288 -0.558) 0.719 23.875 ( 0.156 -0.351 -0.534) 0.658 25.116 ( 0.342 2.555 0.074) 2.578 25.137 ( -0.739 4.340 -1.261) 4.579 25.331 ( 0.627 0.982 -1.185) 1.662 25.357 ( -0.624 1.394 -1.716) 2.297 25.542 ( 3.005 1.494 2.914) 4.445 25.669 ( -1.224 2.297 -0.133) 2.606 25.869 ( -0.817 1.699 5.120) 5.456 26.013 ( -2.564 1.278 0.382) 2.890 26.103 ( 0.764 -0.212 2.536) 2.657 26.247 ( -4.729 -0.889 -1.157) 4.949 26.809 ( 5.335 -5.730 -2.337) 8.170 26.906 ( -0.449 -5.312 -3.715) 6.497 ======================= Grid point 136 (48/80) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -5.941 -0.038 2.674) 6.515 0.735 ( 5.941 -0.038 2.674) 6.515 0.899 ( -11.005 7.651 2.418) 13.619 0.899 ( 11.005 7.651 2.418) 13.619 1.107 ( -0.724 4.464 -0.364) 4.537 1.107 ( 0.724 4.464 -0.364) 4.537 1.384 ( -4.491 7.877 2.367) 9.371 1.384 ( 4.491 7.877 2.367) 9.371 1.593 ( -6.499 -0.151 3.150) 7.223 1.593 ( 6.499 -0.151 3.150) 7.223 1.771 ( -1.782 -2.481 -0.908) 3.186 1.771 ( 1.782 -2.481 -0.908) 3.186 1.857 ( -3.852 -1.571 -0.477) 4.187 1.857 ( 3.852 -1.571 -0.477) 4.187 2.073 ( -2.861 0.087 2.591) 3.861 2.073 ( 2.861 0.087 2.591) 3.861 2.287 ( -3.214 -1.023 4.186) 5.376 2.287 ( 3.214 -1.023 4.186) 5.376 2.439 ( -2.527 2.568 3.135) 4.775 2.439 ( 2.527 2.568 3.135) 4.775 2.541 ( -5.077 1.376 -2.712) 5.918 2.541 ( 5.077 1.376 -2.712) 5.918 2.631 ( -3.189 2.093 -2.016) 4.314 2.631 ( 3.189 2.093 -2.016) 4.314 3.094 ( -2.313 -1.858 2.306) 3.758 3.094 ( 2.313 -1.858 2.306) 3.758 3.148 ( -2.104 2.571 1.570) 3.675 3.148 ( 2.104 2.571 1.570) 3.675 3.280 ( -1.326 0.461 0.037) 1.404 3.280 ( 1.326 0.461 0.037) 1.404 3.423 ( -2.737 4.576 0.734) 5.382 3.423 ( 2.737 4.576 0.734) 5.382 3.730 ( -1.616 0.483 3.887) 4.237 3.730 ( 1.616 0.483 3.887) 4.237 4.172 ( -1.856 -7.100 -9.253) 11.810 4.172 ( 1.856 -7.100 -9.253) 11.810 9.127 ( -1.038 -0.020 -0.788) 1.304 9.127 ( 1.038 -0.020 -0.788) 1.304 9.266 ( -1.019 0.489 0.221) 1.152 9.266 ( 1.019 0.489 0.221) 1.152 9.359 ( -2.212 1.266 -0.571) 2.612 9.359 ( 2.212 1.266 -0.571) 2.612 9.393 ( -2.126 -0.440 -0.971) 2.379 9.393 ( 2.126 -0.440 -0.971) 2.379 11.132 ( -0.990 0.023 0.391) 1.065 11.132 ( 0.990 0.023 0.391) 1.065 11.470 ( -0.216 -2.383 -0.701) 2.494 11.470 ( 0.216 -2.383 -0.701) 2.494 11.568 ( -1.380 1.571 1.958) 2.865 11.568 ( 1.380 1.571 1.958) 2.865 11.745 ( -2.792 0.645 -0.057) 2.866 11.745 ( 2.792 0.645 -0.057) 2.866 12.181 ( -3.473 -0.701 0.879) 3.650 12.181 ( 3.473 -0.701 0.879) 3.650 12.343 ( -2.237 -3.371 -0.934) 4.152 12.343 ( 2.237 -3.371 -0.934) 4.152 23.833 ( -0.186 -0.134 0.588) 0.631 23.833 ( 0.186 -0.134 0.588) 0.631 23.876 ( -0.073 -0.346 -0.624) 0.717 23.876 ( 0.073 -0.346 -0.624) 0.717 25.125 ( -0.582 3.326 -0.451) 3.406 25.125 ( 0.582 3.326 -0.451) 3.406 25.344 ( -0.760 1.165 -1.583) 2.108 25.344 ( 0.760 1.165 -1.583) 2.108 25.610 ( -4.087 2.543 3.344) 5.861 25.610 ( 4.087 2.543 3.344) 5.861 25.923 ( -5.210 1.091 1.647) 5.572 25.923 ( 5.210 1.091 1.647) 5.572 26.164 ( -4.318 -0.357 0.116) 4.334 26.164 ( 4.318 -0.357 0.116) 4.334 26.880 ( -2.490 -5.702 -3.311) 7.048 26.880 ( 2.490 -5.702 -3.311) 7.048 ======================= Grid point 140 (49/80) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 8.395 8.213) 11.744 0.882 ( 0.000 -0.202 3.000) 3.007 0.899 ( 0.000 5.528 2.645) 6.128 1.166 ( 0.000 -2.346 6.716) 7.115 1.264 ( 0.000 8.098 2.048) 8.353 1.265 ( 0.000 5.358 0.529) 5.384 1.462 ( 0.000 1.582 2.534) 2.988 1.464 ( 0.000 8.378 8.351) 11.829 1.592 ( 0.000 10.341 -6.866) 12.413 1.750 ( 0.000 8.853 -5.934) 10.658 1.850 ( 0.000 0.488 7.028) 7.045 1.919 ( 0.000 -5.052 0.487) 5.075 1.925 ( 0.000 -2.605 4.401) 5.115 1.938 ( 0.000 2.837 1.950) 3.442 2.077 ( 0.000 -0.526 -0.572) 0.777 2.164 ( 0.000 -0.255 -0.915) 0.950 2.208 ( 0.000 1.300 7.610) 7.720 2.217 ( 0.000 3.735 -2.797) 4.666 2.285 ( 0.000 -3.043 -5.376) 6.178 2.408 ( 0.000 0.812 -0.824) 1.157 2.424 ( 0.000 5.923 -3.226) 6.744 2.577 ( 0.000 1.474 0.682) 1.624 2.701 ( 0.000 -2.859 -2.244) 3.634 2.735 ( 0.000 -6.346 2.405) 6.786 2.855 ( 0.000 -3.911 -2.053) 4.417 2.946 ( 0.000 -2.450 -1.072) 2.674 3.142 ( 0.000 -0.291 0.923) 0.968 3.251 ( 0.000 -1.544 -0.303) 1.574 3.355 ( 0.000 3.325 5.313) 6.268 3.496 ( 0.000 7.410 3.965) 8.404 3.511 ( 0.000 4.598 -0.083) 4.599 3.584 ( 0.000 3.075 0.776) 3.171 3.707 ( 0.000 1.365 0.580) 1.483 3.755 ( 0.000 -1.984 -2.543) 3.225 3.955 ( 0.000 -4.807 -1.824) 5.142 4.021 ( 0.000 -7.210 -2.376) 7.592 9.082 ( 0.000 -0.272 0.279) 0.390 9.137 ( 0.000 -0.948 -1.455) 1.737 9.232 ( 0.000 0.244 0.385) 0.456 9.261 ( 0.000 1.467 -0.546) 1.566 9.288 ( 0.000 -1.731 2.816) 3.306 9.446 ( 0.000 3.133 -0.328) 3.150 9.461 ( 0.000 -2.381 -2.550) 3.488 9.492 ( 0.000 1.285 -1.407) 1.905 11.136 ( 0.000 2.019 0.558) 2.094 11.237 ( 0.000 1.980 -3.997) 4.460 11.432 ( 0.000 -2.939 -1.097) 3.137 11.460 ( 0.000 -2.141 -1.292) 2.501 11.558 ( 0.000 0.895 0.427) 0.992 11.584 ( 0.000 0.721 -0.743) 1.035 11.824 ( 0.000 1.007 1.068) 1.468 11.859 ( 0.000 -1.984 1.666) 2.591 11.891 ( 0.000 -1.375 2.158) 2.559 11.976 ( 0.000 -0.965 0.027) 0.966 12.323 ( 0.000 -1.319 0.539) 1.425 12.329 ( 0.000 -1.629 0.300) 1.657 23.847 ( 0.000 -0.097 -0.066) 0.117 23.848 ( 0.000 -0.001 -0.112) 0.112 23.853 ( 0.000 0.076 0.029) 0.081 23.863 ( 0.000 -0.137 -0.153) 0.205 25.163 ( 0.000 2.690 -0.410) 2.721 25.275 ( 0.000 5.097 -6.436) 8.210 25.336 ( 0.000 0.322 -0.828) 0.888 25.406 ( 0.000 2.013 -1.073) 2.281 25.501 ( 0.000 0.778 1.590) 1.770 25.639 ( 0.000 -0.383 -5.238) 5.252 25.983 ( 0.000 0.791 1.927) 2.083 26.038 ( 0.000 0.372 0.447) 0.581 26.207 ( 0.000 0.771 3.260) 3.350 26.368 ( 0.000 -3.050 0.254) 3.060 26.495 ( 0.000 -1.610 6.323) 6.525 26.783 ( 0.000 -5.774 -2.592) 6.329 ======================= Grid point 141 (50/80) ======================= q-point: ( 0.17 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -2.366 3.576 3.037) 5.255 0.879 ( 0.344 5.633 4.318) 7.106 0.905 ( 1.094 7.863 8.647) 11.739 1.141 ( -1.970 -0.545 4.452) 4.899 1.236 ( -1.155 3.311 3.062) 4.655 1.335 ( 2.557 7.345 1.089) 7.853 1.422 ( 1.215 -0.431 6.847) 6.967 1.549 ( 3.253 5.935 2.528) 7.225 1.606 ( 0.683 7.246 -5.182) 8.935 1.676 ( -8.669 5.032 2.864) 10.425 1.732 ( -1.406 8.647 -3.623) 9.480 1.833 ( -5.377 -4.397 2.229) 7.294 1.956 ( -5.636 -0.474 -1.515) 5.855 1.979 ( 0.252 -0.118 1.067) 1.103 2.057 ( 1.906 1.001 2.901) 3.612 2.142 ( -3.112 0.746 -2.091) 3.823 2.215 ( 0.497 1.283 0.222) 1.394 2.234 ( 3.945 1.222 4.983) 6.472 2.310 ( 2.503 -1.556 -3.052) 4.243 2.390 ( -1.351 -0.351 -0.592) 1.516 2.514 ( 6.779 2.434 -1.608) 7.380 2.579 ( 0.092 2.591 1.445) 2.968 2.687 ( -0.206 -1.441 -4.209) 4.453 2.731 ( -0.940 -4.649 1.421) 4.951 2.911 ( 4.527 -4.738 -1.845) 6.808 2.974 ( 2.674 -1.847 0.005) 3.250 3.141 ( -0.088 -0.546 1.285) 1.399 3.227 ( -1.612 0.486 2.087) 2.682 3.376 ( 1.524 2.447 2.242) 3.652 3.443 ( -3.993 7.402 1.705) 8.581 3.503 ( -1.874 3.793 2.473) 4.901 3.577 ( -0.562 4.560 0.357) 4.608 3.709 ( 0.687 1.103 1.936) 2.332 3.780 ( 1.029 -0.556 -1.603) 1.984 3.943 ( -0.644 -6.779 -2.264) 7.177 4.020 ( -0.003 -7.365 -3.320) 8.079 9.089 ( 0.726 -0.158 0.222) 0.776 9.141 ( 0.343 -0.636 -1.433) 1.605 9.241 ( 0.733 0.364 0.361) 0.895 9.268 ( 0.050 0.433 0.073) 0.442 9.290 ( 1.076 -0.830 1.637) 2.128 9.434 ( -1.402 1.642 -0.840) 2.317 9.446 ( -1.379 -1.125 -1.918) 2.617 9.478 ( -1.417 1.606 -1.399) 2.558 11.134 ( -0.160 1.799 0.290) 1.830 11.213 ( -2.270 1.850 -3.226) 4.357 11.422 ( -0.838 -3.160 -1.007) 3.421 11.446 ( -1.243 -2.400 -1.061) 2.903 11.564 ( 0.616 1.198 0.454) 1.422 11.600 ( 1.398 0.636 -0.315) 1.568 11.761 ( -2.969 1.519 3.037) 4.511 11.843 ( -1.897 -0.227 0.299) 1.934 11.985 ( 6.043 -2.241 0.527) 6.466 12.025 ( 5.149 -2.501 0.311) 5.733 12.300 ( -1.910 -1.293 0.962) 2.499 12.330 ( -0.429 -2.144 -0.012) 2.186 23.840 ( -0.423 0.078 0.169) 0.462 23.846 ( -0.389 0.101 0.024) 0.403 23.859 ( 0.396 -0.193 -0.232) 0.498 23.865 ( 0.163 -0.219 -0.299) 0.405 25.166 ( 0.391 2.764 -0.723) 2.883 25.261 ( -1.375 4.801 -5.754) 7.619 25.336 ( 0.179 0.085 -1.189) 1.206 25.404 ( -0.423 1.884 -2.010) 2.787 25.523 ( 2.492 1.448 2.437) 3.775 25.668 ( 2.908 0.236 -4.112) 5.042 25.988 ( -3.134 0.688 3.533) 4.773 26.018 ( 1.658 2.286 1.891) 3.399 26.169 ( -3.906 0.894 2.738) 4.853 26.309 ( -4.097 -1.021 -0.411) 4.242 26.566 ( 5.287 -5.206 3.453) 8.183 26.782 ( -0.293 -6.317 -2.512) 6.805 ======================= Grid point 142 (51/80) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.852 2.783 3.449) 4.513 0.851 ( -3.259 6.870 5.548) 9.413 0.967 ( 5.036 10.662 7.795) 14.135 1.127 ( 0.663 -1.161 4.494) 4.688 1.193 ( -3.063 1.146 3.874) 5.070 1.278 ( -8.970 6.907 6.169) 12.893 1.466 ( 3.344 0.911 4.283) 5.510 1.564 ( 1.221 -0.014 3.049) 3.285 1.596 ( 0.741 9.057 -4.563) 10.169 1.660 ( 0.349 7.324 -0.979) 7.397 1.725 ( -4.777 -2.486 0.707) 5.431 1.755 ( 3.741 4.904 -2.372) 6.609 1.829 ( -6.498 -0.551 -1.803) 6.766 1.980 ( -1.977 2.408 -4.185) 5.218 2.039 ( -0.894 -0.093 4.669) 4.755 2.102 ( -1.784 0.371 -2.883) 3.410 2.225 ( 1.319 1.431 5.843) 6.159 2.290 ( 0.107 -2.856 -0.302) 2.874 2.375 ( 3.234 -0.196 4.027) 5.169 2.410 ( 4.898 -1.153 -3.206) 5.967 2.547 ( -1.921 1.475 0.136) 2.426 2.618 ( 1.190 -0.297 -0.229) 1.248 2.690 ( -0.110 0.939 -1.123) 1.468 2.719 ( 1.185 2.651 -1.718) 3.374 2.978 ( 2.389 -4.550 -1.935) 5.491 3.024 ( 1.692 -3.151 0.573) 3.622 3.149 ( 1.623 0.460 2.662) 3.152 3.217 ( 0.450 1.821 2.440) 3.078 3.368 ( -3.544 5.758 -0.160) 6.764 3.380 ( -1.624 4.047 1.257) 4.539 3.481 ( 0.618 4.167 3.018) 5.182 3.560 ( -1.566 4.374 0.762) 4.708 3.726 ( 0.821 0.863 2.629) 2.886 3.764 ( -1.960 0.047 1.212) 2.305 3.959 ( 2.128 -8.302 -4.313) 9.594 4.018 ( -0.425 -7.866 -4.322) 8.985 9.107 ( 1.180 0.134 0.035) 1.188 9.144 ( -0.215 0.128 -1.133) 1.161 9.251 ( 0.342 -0.377 0.566) 0.761 9.266 ( 0.150 -0.875 0.638) 1.094 9.332 ( 2.935 0.834 -0.528) 3.096 9.402 ( -1.545 -0.392 -1.434) 2.145 9.418 ( -1.630 1.011 -0.917) 2.126 9.442 ( -2.478 1.760 -1.381) 3.338 11.133 ( 0.180 1.358 -0.268) 1.396 11.170 ( -2.031 1.408 -1.854) 3.089 11.409 ( -0.444 -3.376 -1.069) 3.569 11.423 ( -1.120 -2.969 -1.051) 3.342 11.582 ( 1.257 1.764 1.200) 2.476 11.619 ( 0.293 1.408 0.919) 1.707 11.733 ( -0.037 1.235 2.002) 2.353 11.802 ( -2.503 0.052 0.207) 2.512 12.082 ( 4.871 -1.307 0.780) 5.103 12.136 ( 5.428 -3.693 -0.767) 6.610 12.257 ( -2.424 -1.925 1.518) 3.447 12.308 ( -2.010 -3.159 -0.202) 3.750 23.834 ( -0.191 0.159 0.296) 0.386 23.838 ( -0.373 0.154 0.194) 0.448 23.865 ( 0.239 -0.349 -0.437) 0.608 23.867 ( 0.080 -0.343 -0.463) 0.582 25.178 ( 0.932 3.026 -1.570) 3.534 25.231 ( -1.751 4.113 -4.267) 6.180 25.345 ( 0.819 0.139 -2.081) 2.240 25.388 ( -1.168 1.179 -2.926) 3.364 25.591 ( 4.691 3.052 3.891) 6.816 25.726 ( 1.950 2.555 -0.816) 3.316 25.907 ( -3.051 1.549 5.082) 6.127 26.059 ( -4.300 2.790 0.369) 5.140 26.094 ( 2.137 -0.334 2.936) 3.647 26.242 ( -3.424 0.900 -0.982) 3.674 26.657 ( 4.374 -8.026 0.222) 9.144 26.767 ( -1.478 -7.468 -2.339) 7.964 ======================= Grid point 143 (52/80) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -3.390 4.346 4.948) 7.407 0.782 ( 3.390 4.346 4.948) 7.407 1.086 ( -7.761 9.119 3.378) 12.442 1.086 ( 7.761 9.119 3.378) 12.442 1.160 ( -2.510 0.431 8.169) 8.556 1.160 ( 2.510 0.431 8.169) 8.556 1.539 ( -3.888 2.511 3.382) 5.732 1.539 ( 3.888 2.511 3.382) 5.732 1.633 ( -3.542 4.897 -2.935) 6.719 1.633 ( 3.542 4.897 -2.935) 6.719 1.712 ( -5.016 -0.173 -0.656) 5.062 1.712 ( 5.016 -0.173 -0.656) 5.062 1.881 ( -7.088 3.023 -2.252) 8.028 1.881 ( 7.088 3.023 -2.252) 8.028 2.067 ( -2.169 -0.270 -1.483) 2.641 2.067 ( 2.169 -0.270 -1.483) 2.641 2.262 ( -2.328 -0.925 5.721) 6.246 2.262 ( 2.328 -0.925 5.721) 6.246 2.441 ( -2.996 -1.612 -0.028) 3.402 2.441 ( 2.996 -1.612 -0.028) 3.402 2.562 ( -4.399 0.025 -2.193) 4.916 2.562 ( 4.399 0.025 -2.193) 4.916 2.722 ( -1.527 5.040 -0.101) 5.267 2.722 ( 1.527 5.040 -0.101) 5.267 3.015 ( -1.857 -4.502 -0.414) 4.887 3.015 ( 1.857 -4.502 -0.414) 4.887 3.201 ( -2.851 1.756 2.385) 4.111 3.201 ( 2.851 1.756 2.385) 4.111 3.345 ( -1.296 4.692 0.532) 4.897 3.345 ( 1.296 4.692 0.532) 4.897 3.517 ( -2.678 4.061 1.643) 5.135 3.517 ( 2.678 4.061 1.643) 5.135 3.738 ( -0.767 0.266 2.372) 2.507 3.738 ( 0.767 0.266 2.372) 2.507 3.998 ( -1.714 -8.167 -4.730) 9.592 3.998 ( 1.714 -8.167 -4.730) 9.592 9.130 ( -1.175 0.415 -0.412) 1.312 9.130 ( 1.175 0.415 -0.412) 1.312 9.262 ( -0.710 -1.083 0.310) 1.331 9.262 ( 0.710 -1.083 0.310) 1.331 9.388 ( -2.547 1.070 -1.115) 2.980 9.388 ( 2.547 1.070 -1.115) 2.980 9.394 ( -0.537 0.925 -1.046) 1.496 9.394 ( 0.537 0.925 -1.046) 1.496 11.143 ( -0.962 1.148 -0.911) 1.753 11.143 ( 0.962 1.148 -0.911) 1.753 11.408 ( -0.392 -3.346 -1.143) 3.558 11.408 ( 0.392 -3.346 -1.143) 3.558 11.607 ( -1.318 2.142 1.774) 3.078 11.607 ( 1.318 2.142 1.774) 3.078 11.756 ( -2.207 0.243 0.572) 2.293 11.756 ( 2.207 0.243 0.572) 2.293 12.161 ( -3.132 -1.075 0.389) 3.334 12.161 ( 3.132 -1.075 0.389) 3.334 12.258 ( -2.987 -4.226 0.286) 5.182 12.258 ( 2.987 -4.226 0.286) 5.182 23.833 ( -0.126 0.174 0.294) 0.364 23.833 ( 0.126 0.174 0.294) 0.364 23.867 ( -0.061 -0.400 -0.517) 0.657 23.867 ( 0.061 -0.400 -0.517) 0.657 25.200 ( -1.464 3.493 -2.796) 4.708 25.200 ( 1.464 3.493 -2.796) 4.708 25.365 ( -1.243 0.519 -2.814) 3.120 25.365 ( 1.243 0.519 -2.814) 3.120 25.686 ( -5.062 4.414 4.278) 7.963 25.686 ( 5.062 4.414 4.278) 7.963 25.943 ( -5.772 0.327 1.212) 5.906 25.943 ( 5.772 0.327 1.212) 5.906 26.171 ( -4.269 1.604 0.604) 4.600 26.171 ( 4.269 1.604 0.604) 4.600 26.725 ( -3.000 -8.411 -1.691) 9.088 26.725 ( 3.000 -8.411 -1.691) 9.088 ======================= Grid point 147 (53/80) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 0.000 -0.916 -3.641) 3.755 0.895 ( 0.000 -3.773 -4.014) 5.509 1.068 ( 0.000 10.597 7.692) 13.094 1.181 ( 0.000 3.447 2.633) 4.338 1.381 ( 0.000 1.790 3.331) 3.781 1.433 ( 0.000 3.975 5.997) 7.195 1.513 ( 0.000 1.081 1.777) 2.080 1.598 ( 0.000 1.915 0.977) 2.150 1.598 ( 0.000 3.727 3.713) 5.261 1.754 ( 0.000 -4.047 -0.326) 4.060 1.860 ( 0.000 0.551 4.798) 4.830 1.905 ( 0.000 3.918 0.132) 3.920 1.994 ( 0.000 -4.830 1.515) 5.062 2.045 ( 0.000 0.767 -0.295) 0.822 2.106 ( 0.000 10.680 -0.546) 10.694 2.129 ( 0.000 5.480 2.606) 6.068 2.238 ( 0.000 -1.939 5.738) 6.057 2.287 ( 0.000 2.151 -0.208) 2.161 2.338 ( 0.000 5.057 -4.638) 6.862 2.388 ( 0.000 -2.718 0.860) 2.851 2.453 ( 0.000 -4.972 1.272) 5.132 2.562 ( 0.000 -1.159 0.920) 1.480 2.592 ( 0.000 -6.806 -0.890) 6.864 2.729 ( 0.000 8.834 -1.186) 8.914 2.782 ( 0.000 -4.169 -5.385) 6.810 2.949 ( 0.000 2.668 -4.023) 4.827 3.111 ( 0.000 -3.109 -2.087) 3.744 3.199 ( 0.000 -3.658 -3.068) 4.774 3.428 ( 0.000 3.606 7.603) 8.415 3.536 ( 0.000 -0.751 3.430) 3.512 3.626 ( 0.000 4.799 4.398) 6.509 3.684 ( 0.000 4.311 -0.708) 4.369 3.723 ( 0.000 0.551 0.784) 0.958 3.724 ( 0.000 -0.670 -2.096) 2.200 3.871 ( 0.000 -6.429 1.300) 6.560 3.871 ( 0.000 -3.212 -1.101) 3.395 9.083 ( 0.000 0.395 0.156) 0.425 9.118 ( 0.000 -0.946 -0.999) 1.376 9.237 ( 0.000 0.168 0.944) 0.959 9.257 ( 0.000 -1.116 2.385) 2.633 9.295 ( 0.000 1.759 -0.806) 1.935 9.395 ( 0.000 -3.082 -1.779) 3.559 9.507 ( 0.000 2.343 -1.093) 2.585 9.528 ( 0.000 1.321 -1.641) 2.106 11.189 ( 0.000 3.063 -0.262) 3.074 11.281 ( 0.000 2.037 -3.771) 4.286 11.359 ( 0.000 -3.627 -1.566) 3.951 11.408 ( 0.000 -2.758 -2.480) 3.709 11.575 ( 0.000 0.694 -0.021) 0.694 11.592 ( 0.000 0.048 -0.921) 0.923 11.831 ( 0.000 -0.567 2.676) 2.735 11.855 ( 0.000 1.875 0.997) 2.124 11.859 ( 0.000 -1.380 2.398) 2.767 11.947 ( 0.000 -1.818 0.022) 1.818 12.297 ( 0.000 -0.986 0.399) 1.063 12.298 ( 0.000 -1.119 0.269) 1.151 23.847 ( 0.000 0.085 -0.047) 0.097 23.850 ( 0.000 0.041 -0.060) 0.073 23.856 ( 0.000 0.173 -0.094) 0.197 23.860 ( 0.000 -0.070 -0.120) 0.139 25.219 ( 0.000 2.620 -1.122) 2.850 25.315 ( 0.000 -1.420 -1.625) 2.158 25.380 ( 0.000 4.046 -7.167) 8.230 25.444 ( 0.000 1.305 -1.797) 2.221 25.523 ( 0.000 1.292 1.326) 1.852 25.610 ( 0.000 -2.297 -5.453) 5.917 26.001 ( 0.000 0.853 3.701) 3.798 26.034 ( 0.000 -0.617 3.498) 3.552 26.240 ( 0.000 1.951 0.884) 2.142 26.313 ( 0.000 -2.109 0.367) 2.141 26.486 ( 0.000 1.116 4.507) 4.643 26.659 ( 0.000 -5.851 -1.036) 5.942 ======================= Grid point 148 (54/80) ======================= q-point: ( 0.17 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -0.996 0.315 -1.113) 1.527 0.924 ( 2.719 -3.723 -1.908) 4.990 1.092 ( 2.491 9.373 7.258) 12.114 1.187 ( -1.607 4.492 5.418) 7.219 1.320 ( -3.204 3.371 6.666) 8.128 1.434 ( -2.516 1.340 4.927) 5.693 1.511 ( 2.745 -1.130 -0.215) 2.976 1.546 ( -5.075 6.626 6.349) 10.487 1.631 ( 1.109 -3.421 -0.043) 3.597 1.723 ( -2.173 2.216 1.021) 3.267 1.836 ( -3.030 0.266 0.169) 3.047 1.890 ( -1.774 3.583 1.409) 4.239 1.961 ( -1.404 -2.524 -0.591) 2.948 2.042 ( -3.725 2.113 1.587) 4.567 2.063 ( -0.129 6.463 -1.119) 6.560 2.187 ( 2.018 2.743 2.349) 4.137 2.220 ( 0.100 0.244 -0.034) 0.266 2.301 ( 1.197 2.338 -3.154) 4.104 2.331 ( -0.957 0.618 3.593) 3.769 2.364 ( -0.068 1.676 -2.181) 2.752 2.498 ( 2.851 -4.075 0.035) 4.973 2.573 ( -0.173 -2.589 1.795) 3.155 2.599 ( 2.668 -5.162 -1.588) 6.024 2.748 ( 0.506 4.915 -2.815) 5.687 2.833 ( 5.287 -2.167 -3.050) 6.477 2.982 ( 2.922 2.843 -2.836) 4.966 3.104 ( -0.176 -3.011 -1.313) 3.289 3.215 ( 1.285 -2.271 -1.533) 3.027 3.430 ( 0.171 2.833 5.324) 6.033 3.522 ( -1.314 0.024 3.884) 4.101 3.598 ( -2.763 5.398 3.269) 6.889 3.663 ( -1.219 3.043 0.358) 3.297 3.732 ( 0.804 1.137 0.933) 1.676 3.763 ( 2.721 -1.271 -1.991) 3.603 3.820 ( -3.318 -4.389 1.274) 5.648 3.888 ( 0.185 -4.714 -0.667) 4.765 9.093 ( 0.971 0.493 0.185) 1.105 9.127 ( 0.954 -0.762 -0.987) 1.570 9.244 ( 0.607 -0.008 0.769) 0.980 9.252 ( -0.824 -0.889 1.978) 2.320 9.305 ( 1.449 1.323 -0.762) 2.105 9.385 ( -0.931 -2.627 -1.699) 3.264 9.493 ( -1.421 2.187 -1.048) 2.811 9.514 ( -1.486 1.246 -1.646) 2.543 11.184 ( -0.483 2.979 -0.578) 3.073 11.259 ( -2.226 2.475 -3.619) 4.917 11.346 ( -1.066 -3.946 -1.222) 4.266 11.388 ( -1.815 -3.041 -2.218) 4.179 11.587 ( 1.261 0.974 0.124) 1.598 11.608 ( 1.659 0.118 -0.437) 1.720 11.793 ( -2.074 1.445 2.830) 3.794 11.841 ( -1.797 -0.199 1.577) 2.400 11.938 ( 6.025 -1.438 0.903) 6.259 11.981 ( 3.546 -1.997 0.232) 4.076 12.276 ( -1.939 -0.818 0.538) 2.172 12.290 ( -1.264 -1.545 0.129) 2.000 23.843 ( -0.249 0.249 0.048) 0.355 23.850 ( -0.196 0.238 -0.148) 0.342 23.855 ( 0.071 -0.135 -0.078) 0.171 23.861 ( 0.008 -0.156 -0.216) 0.267 25.223 ( 0.497 2.633 -1.526) 3.084 25.319 ( 0.405 -1.421 -1.955) 2.450 25.352 ( -2.342 3.560 -6.281) 7.590 25.431 ( -1.523 0.394 -3.596) 3.925 25.563 ( 4.146 2.268 2.014) 5.137 25.655 ( 4.366 -1.486 -3.491) 5.784 26.004 ( -1.207 0.988 4.503) 4.765 26.046 ( 1.937 -0.002 4.160) 4.589 26.202 ( -3.757 2.408 0.821) 4.537 26.297 ( -0.856 -0.681 -1.633) 1.966 26.489 ( 0.182 -1.236 4.216) 4.397 26.647 ( -1.383 -6.297 -1.117) 6.544 ======================= Grid point 149 (55/80) ======================= q-point: ( 0.33 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 2.590 3.177 3.824) 5.606 0.978 ( 1.798 -0.085 2.959) 3.464 1.090 ( -5.789 1.949 8.372) 10.364 1.150 ( 2.024 4.354 6.286) 7.910 1.252 ( -3.074 5.304 11.185) 12.755 1.418 ( -7.066 5.816 8.220) 12.301 1.469 ( 4.832 0.679 2.705) 5.579 1.563 ( 0.958 0.542 1.312) 1.712 1.623 ( -0.721 -4.314 0.177) 4.377 1.690 ( -2.259 0.631 -1.207) 2.637 1.768 ( -1.877 1.392 -1.290) 2.669 1.845 ( -2.631 1.148 1.943) 3.466 1.938 ( -2.608 -0.898 -1.002) 2.935 1.995 ( -3.407 6.968 -2.049) 8.022 2.045 ( 2.234 3.041 -1.557) 4.082 2.186 ( -1.486 4.298 -5.656) 7.257 2.256 ( 1.976 2.000 2.585) 3.819 2.303 ( -0.760 4.215 -0.366) 4.299 2.345 ( 2.736 -1.463 1.848) 3.611 2.392 ( 2.438 -0.968 -1.879) 3.227 2.523 ( -0.313 -2.721 -1.717) 3.233 2.560 ( -1.188 -2.899 -0.747) 3.220 2.676 ( 4.800 -5.630 -0.484) 7.415 2.757 ( 0.513 0.429 -2.633) 2.716 2.922 ( 3.795 0.071 -1.573) 4.109 3.020 ( 0.157 4.027 -1.150) 4.191 3.123 ( 2.672 -3.123 1.608) 4.413 3.230 ( -0.215 -1.700 0.132) 1.718 3.429 ( -0.036 3.057 2.262) 3.803 3.503 ( -1.101 3.844 2.808) 4.886 3.549 ( -1.231 3.062 3.136) 4.552 3.633 ( -2.497 2.106 1.490) 3.591 3.740 ( 0.065 -0.002 0.715) 0.718 3.764 ( -1.500 0.575 2.055) 2.609 3.820 ( 2.577 -4.375 -1.418) 5.272 3.883 ( -0.722 -4.840 -0.976) 4.990 9.117 ( 1.604 0.798 0.203) 1.803 9.148 ( 1.040 0.071 -0.872) 1.359 9.227 ( -1.340 -1.149 1.107) 2.084 9.248 ( -0.672 -1.137 0.372) 1.372 9.350 ( 3.181 0.775 -0.880) 3.390 9.378 ( 0.692 -0.900 -1.312) 1.735 9.457 ( -2.439 1.717 -0.944) 3.129 9.474 ( -2.753 1.045 -1.598) 3.350 11.176 ( -0.150 2.776 -1.221) 3.036 11.213 ( -2.269 2.646 -2.720) 4.421 11.331 ( -0.456 -3.988 -1.424) 4.260 11.354 ( -1.683 -3.535 -1.963) 4.380 11.620 ( 2.158 1.750 1.000) 2.953 11.646 ( 2.109 0.918 0.563) 2.368 11.754 ( -1.905 0.941 2.379) 3.190 11.797 ( -2.797 -0.563 1.352) 3.157 12.050 ( 5.680 -1.427 0.316) 5.865 12.070 ( 5.654 -2.325 0.232) 6.118 12.227 ( -3.380 -0.930 0.692) 3.573 12.250 ( -3.082 -2.178 0.032) 3.774 23.840 ( -0.103 0.389 0.067) 0.408 23.845 ( -0.319 0.407 -0.038) 0.518 23.857 ( 0.117 -0.363 -0.254) 0.458 23.860 ( -0.058 -0.306 -0.313) 0.441 25.239 ( 1.210 2.719 -2.574) 3.934 25.307 ( -2.339 3.188 -5.251) 6.573 25.332 ( 1.101 -1.335 -2.830) 3.317 25.396 ( -2.073 -0.551 -4.358) 4.857 25.662 ( 6.300 3.460 3.399) 7.951 25.756 ( 6.039 -0.026 -0.762) 6.087 25.939 ( -5.098 1.839 5.431) 7.673 26.045 ( -4.906 -2.421 3.719) 6.615 26.168 ( 2.687 5.474 0.386) 6.110 26.289 ( -0.802 3.006 -1.990) 3.693 26.498 ( 1.264 -6.315 2.223) 6.813 26.606 ( -2.933 -7.434 -1.216) 8.084 ======================= Grid point 150 (56/80) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -6.971 5.986 7.116) 11.622 0.897 ( 6.971 5.986 7.116) 11.622 1.104 ( -4.560 -3.626 7.328) 9.362 1.104 ( 4.560 -3.626 7.328) 9.362 1.297 ( -5.737 9.167 9.237) 14.222 1.297 ( 5.737 9.167 9.237) 14.222 1.539 ( -2.469 -0.606 3.391) 4.238 1.539 ( 2.469 -0.606 3.391) 4.238 1.641 ( -2.208 -1.689 -1.083) 2.983 1.641 ( 2.208 -1.689 -1.083) 2.983 1.797 ( -3.086 -1.590 -0.876) 3.580 1.797 ( 3.086 -1.590 -0.876) 3.580 1.920 ( -1.973 5.506 -0.610) 5.881 1.920 ( 1.973 5.506 -0.610) 5.881 2.127 ( -4.584 4.911 -6.327) 9.228 2.127 ( 4.584 4.911 -6.327) 9.228 2.284 ( -1.207 2.900 3.388) 4.620 2.284 ( 1.207 2.900 3.388) 4.620 2.403 ( -2.148 -1.769 -0.863) 2.913 2.403 ( 2.148 -1.769 -0.863) 2.913 2.528 ( -1.704 -2.101 -2.989) 4.032 2.528 ( 1.704 -2.101 -2.989) 4.032 2.746 ( -2.246 -4.717 -1.590) 5.461 2.746 ( 2.246 -4.717 -1.590) 5.461 2.985 ( -3.188 3.350 0.000) 4.625 2.985 ( 3.188 3.350 0.000) 4.625 3.190 ( -3.708 -2.894 1.632) 4.979 3.190 ( 3.708 -2.894 1.632) 4.979 3.456 ( -2.848 5.495 1.607) 6.395 3.456 ( 2.848 5.495 1.607) 6.395 3.577 ( -3.004 1.156 2.288) 3.949 3.577 ( 3.004 1.156 2.288) 3.949 3.746 ( -0.685 0.814 1.651) 1.964 3.746 ( 0.685 0.814 1.651) 1.964 3.861 ( -1.705 -4.784 -1.218) 5.223 3.861 ( 1.705 -4.784 -1.218) 5.223 9.147 ( -1.298 1.185 -0.097) 1.760 9.147 ( 1.298 1.185 -0.097) 1.760 9.225 ( -1.197 -2.159 0.243) 2.480 9.225 ( 1.197 -2.159 0.243) 2.480 9.407 ( -2.186 0.913 -0.961) 2.556 9.407 ( 2.186 0.913 -0.961) 2.556 9.417 ( -2.786 0.737 -1.318) 3.169 9.417 ( 2.786 0.737 -1.318) 3.169 11.183 ( -0.963 2.652 -1.890) 3.396 11.183 ( 0.963 2.652 -1.890) 3.396 11.332 ( -0.630 -3.860 -1.766) 4.291 11.332 ( 0.630 -3.860 -1.766) 4.291 11.658 ( -1.379 2.617 1.721) 3.423 11.658 ( 1.379 2.617 1.721) 3.423 11.749 ( -1.819 -1.047 1.222) 2.428 11.749 ( 1.819 -1.047 1.222) 2.428 12.141 ( -3.012 -0.657 0.052) 3.083 12.141 ( 3.012 -0.657 0.052) 3.083 12.181 ( -3.207 -2.896 0.511) 4.351 12.181 ( 3.207 -2.896 0.511) 4.351 23.840 ( -0.136 0.442 0.028) 0.463 23.840 ( 0.136 0.442 0.028) 0.463 23.859 ( -0.085 -0.396 -0.333) 0.524 23.859 ( 0.085 -0.396 -0.333) 0.524 25.268 ( -1.898 2.914 -3.930) 5.247 25.268 ( 1.898 2.914 -3.930) 5.247 25.359 ( -1.792 -1.062 -3.838) 4.367 25.359 ( 1.792 -1.062 -3.838) 4.367 25.781 ( -5.574 4.374 4.129) 8.200 25.781 ( 5.574 4.374 4.129) 8.200 25.925 ( -6.057 -2.020 1.889) 6.659 25.925 ( 6.057 -2.020 1.889) 6.659 26.244 ( -3.995 5.162 0.389) 6.539 26.244 ( 3.995 5.162 0.389) 6.539 26.544 ( -3.436 -8.449 -0.533) 9.137 26.544 ( 3.436 -8.449 -0.533) 9.137 ======================= Grid point 154 (57/80) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 -2.154 -4.101) 4.632 0.824 ( 0.000 2.154 -4.101) 4.632 1.248 ( 0.000 -2.480 0.424) 2.516 1.248 ( 0.000 2.480 0.424) 2.516 1.356 ( 0.000 -1.141 2.666) 2.900 1.356 ( 0.000 1.141 2.666) 2.900 1.544 ( 0.000 -2.978 4.393) 5.307 1.544 ( 0.000 2.978 4.393) 5.307 1.787 ( 0.000 -0.208 0.121) 0.241 1.787 ( 0.000 0.208 0.121) 0.241 1.880 ( 0.000 -3.462 4.376) 5.580 1.880 ( 0.000 3.462 4.376) 5.580 1.969 ( 0.000 -6.346 6.686) 9.218 1.969 ( 0.000 6.346 6.686) 9.218 2.224 ( 0.000 -0.157 1.752) 1.759 2.224 ( 0.000 0.157 1.752) 1.759 2.277 ( 0.000 -6.461 -0.355) 6.471 2.277 ( 0.000 6.461 -0.355) 6.471 2.332 ( 0.000 -3.226 0.136) 3.229 2.332 ( 0.000 3.226 0.136) 3.229 2.452 ( 0.000 -5.015 1.136) 5.142 2.452 ( 0.000 5.015 1.136) 5.142 2.657 ( 0.000 -7.498 -5.233) 9.143 2.657 ( 0.000 7.498 -5.233) 9.143 2.928 ( 0.000 -7.517 -2.392) 7.889 2.928 ( 0.000 7.517 -2.392) 7.889 3.103 ( 0.000 -4.430 -5.983) 7.444 3.103 ( 0.000 4.430 -5.983) 7.444 3.498 ( 0.000 -2.756 7.022) 7.543 3.498 ( 0.000 2.756 7.021) 7.543 3.696 ( 0.000 -1.668 2.235) 2.789 3.696 ( 0.000 1.668 2.235) 2.789 3.736 ( 0.000 -1.643 -0.142) 1.649 3.736 ( 0.000 1.643 -0.142) 1.649 3.813 ( 0.000 -1.977 0.206) 1.988 3.813 ( 0.000 1.977 0.206) 1.988 9.098 ( 0.000 -0.902 -0.317) 0.956 9.098 ( 0.000 0.902 -0.317) 0.956 9.241 ( 0.000 -0.383 1.640) 1.684 9.241 ( 0.000 0.383 1.640) 1.684 9.338 ( 0.000 -2.342 -1.179) 2.622 9.338 ( 0.000 2.342 -1.179) 2.622 9.537 ( 0.000 -0.485 -1.524) 1.599 9.537 ( 0.000 0.485 -1.524) 1.599 11.262 ( 0.000 -3.626 -0.621) 3.678 11.262 ( 0.000 3.626 -0.621) 3.678 11.349 ( 0.000 -2.570 -3.830) 4.612 11.349 ( 0.000 2.570 -3.830) 4.612 11.587 ( 0.000 -0.441 -0.546) 0.702 11.587 ( 0.000 0.441 -0.546) 0.702 11.834 ( 0.000 -0.777 2.737) 2.845 11.834 ( 0.000 0.777 2.737) 2.845 11.902 ( 0.000 -2.326 0.428) 2.365 11.902 ( 0.000 2.326 0.428) 2.365 12.286 ( 0.000 -0.014 0.250) 0.251 12.286 ( 0.000 0.014 0.250) 0.251 23.849 ( 0.000 -0.060 -0.008) 0.061 23.849 ( 0.000 0.060 -0.008) 0.061 23.859 ( 0.000 -0.096 -0.126) 0.159 23.859 ( 0.000 0.096 -0.126) 0.159 25.272 ( 0.000 -2.403 -1.396) 2.779 25.272 ( 0.000 2.403 -1.396) 2.779 25.445 ( 0.000 -1.589 -5.418) 5.647 25.445 ( 0.000 1.589 -5.418) 5.647 25.558 ( 0.000 -2.213 -1.632) 2.750 25.558 ( 0.000 2.213 -1.632) 2.750 26.018 ( 0.000 -0.781 4.476) 4.544 26.018 ( 0.000 0.781 4.476) 4.544 26.276 ( 0.000 -1.548 0.514) 1.631 26.276 ( 0.000 1.548 0.514) 1.631 26.547 ( 0.000 -4.458 1.274) 4.636 26.547 ( 0.000 4.458 1.274) 4.636 ======================= Grid point 156 (58/80) ======================= q-point: ( 0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 1.533 -3.478 -1.386) 4.046 0.836 ( 1.533 3.478 -1.386) 4.046 1.238 ( -1.658 -2.575 3.795) 4.877 1.238 ( -1.658 2.575 3.795) 4.877 1.369 ( 0.840 -4.048 4.988) 6.478 1.369 ( 0.840 4.048 4.988) 6.478 1.517 ( -1.163 -4.443 0.666) 4.640 1.517 ( -1.163 4.443 0.666) 4.640 1.783 ( -2.126 -5.150 2.086) 5.949 1.783 ( -2.126 5.150 2.086) 5.950 1.833 ( -5.104 -7.627 3.691) 9.892 1.833 ( -5.104 7.627 3.691) 9.892 1.953 ( 0.342 -4.425 4.962) 6.658 1.953 ( 0.342 4.425 4.962) 6.658 2.222 ( -0.540 -1.606 -2.525) 3.041 2.222 ( -0.540 1.606 -2.525) 3.041 2.282 ( 1.393 -4.356 2.886) 5.407 2.282 ( 1.393 4.356 2.886) 5.407 2.347 ( 0.846 -3.197 -2.168) 3.954 2.347 ( 0.846 3.197 -2.168) 3.955 2.464 ( 1.376 -2.944 -0.286) 3.262 2.464 ( 1.376 2.944 -0.286) 3.262 2.673 ( 0.764 -7.410 -3.927) 8.421 2.673 ( 0.764 7.410 -3.927) 8.421 2.945 ( 2.235 -7.043 -1.166) 7.481 2.945 ( 2.235 7.043 -1.166) 7.481 3.128 ( 2.033 -5.160 -4.892) 7.395 3.128 ( 2.033 5.160 -4.892) 7.395 3.491 ( -0.447 -2.595 6.538) 7.049 3.491 ( -0.447 2.595 6.538) 7.049 3.683 ( -2.103 -2.232 2.792) 4.147 3.683 ( -2.103 2.232 2.792) 4.147 3.731 ( 0.489 -0.214 -0.628) 0.824 3.731 ( 0.489 0.214 -0.628) 0.824 3.814 ( -0.090 -2.602 0.310) 2.622 3.814 ( -0.090 2.602 0.310) 2.622 9.109 ( 1.138 -0.923 -0.257) 1.488 9.109 ( 1.138 0.923 -0.257) 1.488 9.243 ( -0.149 -0.041 1.352) 1.361 9.243 ( -0.149 0.041 1.352) 1.361 9.338 ( 0.315 -1.840 -1.152) 2.194 9.338 ( 0.315 1.840 -1.152) 2.194 9.522 ( -1.593 -0.491 -1.486) 2.234 9.522 ( -1.593 0.491 -1.486) 2.234 11.257 ( -0.531 -3.742 -0.924) 3.891 11.257 ( -0.531 3.742 -0.924) 3.891 11.323 ( -2.381 -2.944 -3.371) 5.070 11.323 ( -2.381 2.944 -3.371) 5.070 11.604 ( 1.719 -0.529 -0.250) 1.816 11.604 ( 1.719 0.529 -0.250) 1.816 11.823 ( -1.564 -1.380 2.682) 3.398 11.823 ( -1.564 1.380 2.682) 3.398 11.941 ( 4.195 -1.488 0.278) 4.460 11.941 ( 4.195 1.488 0.278) 4.460 12.270 ( -1.744 -0.311 0.226) 1.786 12.270 ( -1.744 0.311 0.226) 1.786 23.849 ( -0.026 -0.248 -0.035) 0.252 23.849 ( -0.026 0.248 -0.035) 0.252 23.857 ( -0.173 -0.212 -0.143) 0.308 23.857 ( -0.173 0.212 -0.143) 0.308 25.276 ( 0.481 -2.366 -1.824) 3.026 25.276 ( 0.481 2.366 -1.824) 3.026 25.413 ( -2.544 -2.040 -5.604) 6.484 25.413 ( -2.544 2.040 -5.604) 6.484 25.613 ( 5.061 -2.311 -0.513) 5.588 25.613 ( 5.061 2.311 -0.513) 5.588 26.029 ( 0.357 -1.266 4.972) 5.144 26.029 ( 0.357 1.266 4.972) 5.144 26.260 ( -0.986 -2.655 -0.341) 2.852 26.260 ( -0.986 2.655 -0.341) 2.852 26.529 ( -2.018 -4.423 1.138) 4.993 26.529 ( -2.018 4.423 1.138) 4.993 ======================= Grid point 158 (59/80) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 4.810 -4.928 4.089) 8.009 0.893 ( 4.810 4.928 4.089) 8.009 1.160 ( -6.933 -2.051 8.752) 11.352 1.160 ( -6.933 2.051 8.752) 11.352 1.383 ( 2.067 -5.744 8.153) 10.185 1.383 ( 2.067 5.744 8.153) 10.185 1.555 ( 3.994 -3.250 -2.576) 5.757 1.555 ( 3.994 3.250 -2.576) 5.757 1.648 ( -8.846 -6.093 6.337) 12.471 1.648 ( -8.846 6.093 6.337) 12.471 1.764 ( -4.003 -2.066 -0.177) 4.508 1.764 ( -4.003 2.066 -0.177) 4.508 2.003 ( 4.632 -5.914 0.580) 7.534 2.003 ( 4.632 5.914 0.580) 7.534 2.193 ( -3.183 -5.413 -4.866) 7.944 2.193 ( -3.183 5.413 -4.866) 7.944 2.319 ( 2.222 -2.670 2.633) 4.359 2.319 ( 2.222 2.670 2.633) 4.359 2.357 ( 0.250 -2.185 -2.162) 3.085 2.357 ( 0.250 2.185 -2.162) 3.085 2.509 ( 3.638 -3.623 -2.324) 5.636 2.509 ( 3.638 3.623 -2.324) 5.636 2.658 ( -2.527 -6.564 -4.063) 8.123 2.658 ( -2.527 6.564 -4.063) 8.123 3.012 ( 4.558 -5.748 1.159) 7.427 3.012 ( 4.558 5.748 1.159) 7.427 3.145 ( -0.867 -5.411 -1.490) 5.679 3.145 ( -0.867 5.411 -1.490) 5.679 3.499 ( 1.750 -2.743 4.327) 5.414 3.499 ( 1.750 2.743 4.327) 5.414 3.625 ( -3.780 -2.719 2.001) 5.068 3.625 ( -3.780 2.719 2.001) 5.068 3.755 ( 1.648 -1.916 0.284) 2.544 3.755 ( 1.648 1.916 0.284) 2.544 3.806 ( -0.824 -2.661 0.546) 2.838 3.806 ( -0.824 2.661 0.546) 2.838 9.138 ( 2.003 -0.999 -0.105) 2.240 9.138 ( 2.003 0.999 -0.105) 2.240 9.223 ( -1.969 -0.820 0.559) 2.205 9.223 ( -1.969 0.820 0.559) 2.205 9.364 ( 2.541 -0.571 -0.964) 2.777 9.364 ( 2.541 0.571 -0.964) 2.777 9.481 ( -2.864 -0.450 -1.358) 3.201 9.481 ( -2.864 0.450 -1.358) 3.201 11.247 ( -0.322 -3.795 -1.573) 4.121 11.247 ( -0.322 3.795 -1.573) 4.121 11.279 ( -2.099 -3.449 -2.668) 4.839 11.279 ( -2.099 3.449 -2.668) 4.839 11.648 ( 3.050 -0.765 0.645) 3.210 11.648 ( 3.050 0.765 0.645) 3.210 11.777 ( -3.204 -1.186 2.309) 4.124 11.777 ( -3.204 1.186 2.309) 4.124 12.039 ( 5.798 -0.526 0.185) 5.825 12.039 ( 5.798 0.526 0.185) 5.825 12.221 ( -3.509 -0.514 0.176) 3.550 12.221 ( -3.509 0.514 0.176) 3.550 23.849 ( 0.016 -0.411 -0.098) 0.422 23.849 ( 0.016 0.411 -0.098) 0.422 23.853 ( -0.214 -0.367 -0.167) 0.456 23.853 ( -0.214 0.367 -0.167) 0.456 25.292 ( 1.263 -2.298 -2.906) 3.914 25.292 ( 1.263 2.298 -2.906) 3.914 25.366 ( -2.515 -2.211 -5.261) 6.236 25.366 ( -2.515 2.211 -5.261) 6.236 25.727 ( 7.071 -2.466 1.397) 7.618 25.727 ( 7.071 2.466 1.397) 7.618 25.988 ( -5.091 -2.712 4.737) 7.464 25.988 ( -5.091 2.712 4.737) 7.464 26.283 ( 3.871 -4.599 -0.819) 6.067 26.283 ( 3.871 4.599 -0.819) 6.067 26.471 ( -4.255 -4.518 0.704) 6.246 26.471 ( -4.255 4.518 0.704) 6.246 ======================= Grid point 160 (60/80) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -7.747 -4.802 8.328) 12.347 1.013 ( 2.351 -3.072 8.328) 9.183 1.013 ( -2.351 3.072 8.329) 9.183 1.013 ( 7.747 4.802 8.328) 12.347 1.470 ( -6.443 -6.380 8.103) 12.161 1.470 ( 2.287 -5.625 8.103) 10.125 1.470 ( -2.287 5.625 8.103) 10.125 1.470 ( 6.443 6.380 8.103) 12.161 1.672 ( -2.911 -4.824 -1.864) 5.934 1.672 ( -2.248 -4.735 -1.864) 5.563 1.672 ( 2.248 4.735 -1.864) 5.563 1.672 ( 2.911 4.824 -1.864) 5.934 2.105 ( -5.646 -7.451 -2.983) 9.813 2.105 ( 5.099 -7.351 -2.983) 9.430 2.105 ( -5.099 7.351 -2.983) 9.430 2.105 ( 5.646 7.451 -2.983) 9.813 2.351 ( -1.024 -3.325 0.090) 3.480 2.351 ( 1.024 -3.325 0.090) 3.480 2.351 ( -1.024 3.325 0.090) 3.480 2.351 ( 1.024 3.325 0.090) 3.481 2.589 ( -3.819 -7.719 -3.958) 9.478 2.589 ( 2.590 -7.590 -3.958) 8.943 2.589 ( -2.590 7.590 -3.958) 8.943 2.589 ( 3.819 7.719 -3.958) 9.478 3.095 ( -4.015 -5.612 1.385) 7.038 3.095 ( 3.779 -5.571 1.385) 6.873 3.095 ( -3.779 5.571 1.385) 6.873 3.095 ( 4.015 5.612 1.385) 7.038 3.553 ( -3.581 -3.208 2.186) 5.282 3.553 ( 2.247 -2.889 2.186) 4.263 3.553 ( -2.247 2.889 2.186) 4.263 3.553 ( 3.581 3.208 2.186) 5.282 3.784 ( -1.372 -2.724 0.653) 3.119 3.784 ( 1.227 -2.707 0.653) 3.043 3.784 ( -1.227 2.707 0.653) 3.043 3.784 ( 1.372 2.724 0.653) 3.119 9.180 ( -2.012 -1.806 0.113) 2.706 9.180 ( -0.270 -1.505 0.113) 1.534 9.180 ( 0.270 1.505 0.113) 1.534 9.180 ( 2.012 1.806 0.113) 2.706 9.421 ( -3.378 -0.263 -1.127) 3.571 9.421 ( -3.371 0.240 -1.127) 3.563 9.421 ( 3.371 -0.240 -1.127) 3.563 9.421 ( 3.378 0.263 -1.127) 3.571 11.251 ( -0.846 -3.658 -2.135) 4.319 11.251 ( 0.842 -3.658 -2.135) 4.318 11.251 ( -0.842 3.658 -2.135) 4.318 11.251 ( 0.846 3.658 -2.135) 4.319 11.712 ( -2.946 -2.052 1.628) 3.942 11.712 ( -1.363 -1.584 1.628) 2.649 11.712 ( 1.363 1.584 1.628) 2.649 11.712 ( 2.946 2.052 1.628) 3.942 12.141 ( -4.971 -0.642 0.150) 5.015 12.141 ( -4.837 0.291 0.150) 4.849 12.141 ( 4.837 -0.291 0.150) 4.849 12.141 ( 4.971 0.642 0.150) 5.015 23.850 ( -0.125 -0.458 -0.154) 0.499 23.850 ( 0.124 -0.458 -0.154) 0.499 23.850 ( -0.124 0.458 -0.154) 0.499 23.850 ( 0.125 0.458 -0.154) 0.499 25.323 ( -2.034 -2.265 -4.208) 5.194 25.323 ( 2.002 -2.258 -4.208) 5.178 25.323 ( -2.002 2.258 -4.208) 5.178 25.323 ( 2.034 2.265 -4.208) 5.194 25.865 ( -7.156 -3.272 3.135) 8.470 25.865 ( -3.335 -0.827 3.135) 4.652 25.865 ( 3.335 0.827 3.135) 4.652 25.865 ( 7.156 3.272 3.135) 8.470 26.377 ( -4.489 -7.099 0.005) 8.399 26.377 ( 1.850 -6.798 0.005) 7.045 26.377 ( -1.850 6.798 0.005) 7.045 26.377 ( 4.489 7.099 0.005) 8.399 ======================= Grid point 189 (61/80) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 0.000 8.823) 8.823 0.826 ( 0.000 0.000 -7.492) 7.492 0.939 ( 0.000 0.000 12.273) 12.273 0.955 ( 0.000 0.000 6.156) 6.156 1.081 ( 0.000 0.000 -7.135) 7.135 1.143 ( 0.000 0.000 -9.463) 9.463 1.369 ( 0.000 0.000 1.693) 1.693 1.382 ( 0.000 0.000 0.832) 0.832 1.577 ( 0.000 0.000 13.586) 13.586 1.593 ( 0.000 0.000 6.881) 6.881 1.862 ( 0.000 0.000 -2.433) 2.433 1.878 ( 0.000 0.000 -1.291) 1.291 1.957 ( 0.000 0.000 0.556) 0.556 2.059 ( 0.000 0.000 -8.354) 8.354 2.069 ( 0.000 0.000 4.251) 4.251 2.165 ( 0.000 0.000 -5.341) 5.341 2.223 ( 0.000 0.000 9.235) 9.235 2.265 ( 0.000 0.000 1.076) 1.076 2.279 ( 0.000 0.000 -0.750) 0.750 2.328 ( 0.000 0.000 7.087) 7.087 2.459 ( 0.000 0.000 -7.299) 7.299 2.572 ( 0.000 0.000 6.217) 6.217 2.577 ( 0.000 0.000 -10.315) 10.315 2.689 ( 0.000 0.000 -5.990) 5.990 3.107 ( 0.000 0.000 1.303) 1.303 3.130 ( 0.000 0.000 -1.175) 1.175 3.194 ( 0.000 0.000 10.139) 10.139 3.282 ( 0.000 0.000 2.275) 2.275 3.295 ( 0.000 0.000 0.952) 0.952 3.321 ( 0.000 0.000 1.869) 1.869 3.323 ( 0.000 0.000 -1.821) 1.821 3.385 ( 0.000 0.000 -4.953) 4.953 3.689 ( 0.000 0.000 3.211) 3.211 3.750 ( 0.000 0.000 -3.150) 3.150 4.064 ( 0.000 0.000 -1.401) 1.401 4.091 ( 0.000 0.000 -4.728) 4.728 9.108 ( 0.000 0.000 1.039) 1.039 9.137 ( 0.000 0.000 -1.893) 1.893 9.217 ( 0.000 0.000 0.095) 0.095 9.220 ( 0.000 0.000 -0.221) 0.221 9.366 ( 0.000 0.000 1.649) 1.649 9.397 ( 0.000 0.000 -1.498) 1.498 9.428 ( 0.000 0.000 3.260) 3.260 9.492 ( 0.000 0.000 -3.461) 3.461 11.130 ( 0.000 0.000 1.894) 1.894 11.159 ( 0.000 0.000 -1.012) 1.012 11.486 ( 0.000 0.000 0.048) 0.048 11.496 ( 0.000 0.000 -0.896) 0.896 11.543 ( 0.000 0.000 0.833) 0.833 11.554 ( 0.000 0.000 -0.206) 0.206 11.837 ( 0.000 0.000 1.987) 1.987 11.879 ( 0.000 0.000 -2.322) 2.322 11.953 ( 0.000 0.000 1.690) 1.690 11.983 ( 0.000 0.000 -1.412) 1.412 12.366 ( 0.000 0.000 0.361) 0.361 12.371 ( 0.000 0.000 -0.164) 0.164 23.852 ( 0.000 0.000 0.065) 0.065 23.853 ( 0.000 0.000 -0.033) 0.033 23.864 ( 0.000 0.000 0.063) 0.063 23.866 ( 0.000 0.000 -0.141) 0.141 25.101 ( 0.000 0.000 0.635) 0.635 25.102 ( 0.000 0.000 0.475) 0.475 25.303 ( 0.000 0.000 0.367) 0.367 25.322 ( 0.000 0.000 -1.468) 1.468 25.521 ( 0.000 0.000 2.206) 2.206 25.569 ( 0.000 0.000 -2.839) 2.839 25.971 ( 0.000 0.000 0.468) 0.468 25.985 ( 0.000 0.000 -0.984) 0.984 26.321 ( 0.000 0.000 5.278) 5.278 26.410 ( 0.000 0.000 -4.042) 4.042 26.685 ( 0.000 0.000 7.162) 7.162 26.820 ( 0.000 0.000 -7.049) 7.049 ======================= Grid point 190 (62/80) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 2.409 0.000 7.824) 8.186 0.830 ( 0.779 0.000 -6.276) 6.324 0.864 ( -6.658 0.000 13.632) 15.171 0.964 ( 0.140 0.000 4.725) 4.727 1.066 ( -1.476 0.000 -5.648) 5.838 1.090 ( -5.541 0.000 -10.201) 11.609 1.407 ( 4.356 0.000 2.627) 5.087 1.444 ( 6.302 0.000 -0.957) 6.374 1.534 ( -5.401 0.000 8.120) 9.752 1.659 ( 2.085 0.000 -0.110) 2.088 1.713 ( -8.126 0.000 7.073) 10.773 1.802 ( -3.181 0.000 1.725) 3.618 2.036 ( -3.707 0.000 4.767) 6.039 2.037 ( 3.809 0.000 -2.954) 4.820 2.095 ( 2.982 0.000 -8.668) 9.167 2.132 ( -4.721 0.000 -4.221) 6.332 2.255 ( 1.008 0.000 1.269) 1.621 2.273 ( 3.267 0.000 8.652) 9.248 2.298 ( 1.677 0.000 -2.794) 3.258 2.311 ( 0.384 0.000 7.107) 7.117 2.520 ( 4.464 0.000 -4.810) 6.562 2.560 ( -1.282 0.000 6.633) 6.756 2.595 ( 0.935 0.000 -8.926) 8.975 2.682 ( -1.152 0.000 -6.070) 6.179 3.103 ( -0.233 0.000 1.113) 1.137 3.124 ( -0.590 0.000 -1.051) 1.205 3.169 ( -1.685 0.000 8.853) 9.012 3.274 ( -1.811 0.000 -0.162) 1.819 3.289 ( 0.743 0.000 2.284) 2.402 3.301 ( -1.861 0.000 2.692) 3.273 3.328 ( 0.414 0.000 -1.675) 1.726 3.372 ( -0.597 0.000 -3.012) 3.070 3.726 ( 3.397 0.000 4.903) 5.965 3.807 ( 4.242 0.000 -2.256) 4.805 4.056 ( -0.723 0.000 -3.653) 3.724 4.065 ( -2.293 0.000 -5.560) 6.014 9.108 ( 0.015 0.000 0.852) 0.852 9.133 ( -0.387 0.000 -1.666) 1.710 9.224 ( 0.767 0.000 0.273) 0.814 9.230 ( 1.009 0.000 -0.405) 1.087 9.359 ( -0.731 0.000 1.556) 1.719 9.388 ( -0.941 0.000 -1.403) 1.689 9.410 ( -1.568 0.000 2.905) 3.301 9.469 ( -2.296 0.000 -3.176) 3.919 11.133 ( 0.322 0.000 1.716) 1.746 11.158 ( -0.076 0.000 -0.805) 0.809 11.485 ( -0.088 0.000 -0.026) 0.092 11.494 ( -0.216 0.000 -0.851) 0.879 11.547 ( 0.525 0.000 1.338) 1.438 11.566 ( 1.100 0.000 -0.665) 1.285 11.780 ( -3.775 0.000 2.700) 4.642 11.824 ( -3.440 0.000 -1.902) 3.931 12.036 ( 5.881 0.000 1.454) 6.058 12.072 ( 7.047 0.000 -2.454) 7.462 12.357 ( -0.691 0.000 1.062) 1.267 12.376 ( 0.126 0.000 -0.890) 0.899 23.849 ( -0.136 0.000 0.469) 0.488 23.857 ( 0.246 0.000 -0.425) 0.491 23.860 ( -0.254 0.000 0.320) 0.409 23.867 ( 0.053 0.000 -0.399) 0.403 25.102 ( 0.023 0.000 0.636) 0.636 25.103 ( 0.018 0.000 0.495) 0.496 25.304 ( 0.102 0.000 0.235) 0.256 25.320 ( -0.154 0.000 -1.356) 1.365 25.535 ( 1.490 0.000 2.419) 2.841 25.585 ( 1.660 0.000 -2.895) 3.337 25.971 ( -0.722 0.000 1.501) 1.666 25.992 ( 0.853 0.000 -0.739) 1.128 26.249 ( -6.223 0.000 5.030) 8.002 26.327 ( -6.646 0.000 -3.041) 7.309 26.759 ( 5.593 0.000 3.623) 6.664 26.850 ( 2.423 0.000 -5.599) 6.101 ======================= Grid point 191 (63/80) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -3.121 0.000 10.990) 11.425 0.760 ( 4.457 0.000 5.872) 7.371 0.864 ( 2.672 0.000 -4.402) 5.150 0.938 ( -2.705 0.000 3.532) 4.449 0.950 ( -9.268 0.000 -8.974) 12.900 1.025 ( -3.177 0.000 -4.986) 5.912 1.398 ( -6.302 0.000 6.696) 9.195 1.490 ( -9.950 0.000 -2.069) 10.163 1.529 ( 8.484 0.000 3.981) 9.372 1.591 ( 8.849 0.000 -2.260) 9.133 1.761 ( 3.752 0.000 4.763) 6.063 1.811 ( 1.850 0.000 -0.007) 1.850 1.930 ( -7.336 0.000 4.015) 8.363 2.004 ( -8.404 0.000 -3.147) 8.974 2.077 ( 0.819 0.000 -0.844) 1.176 2.118 ( -1.310 0.000 -3.543) 3.777 2.295 ( 3.082 0.000 2.055) 3.704 2.320 ( 5.546 0.000 8.051) 9.776 2.350 ( 3.018 0.000 -3.140) 4.356 2.403 ( 6.310 0.000 2.025) 6.627 2.531 ( -1.240 0.000 5.145) 5.292 2.559 ( -1.400 0.000 -1.880) 2.344 2.579 ( -2.228 0.000 -3.796) 4.401 2.636 ( -3.798 0.000 -5.593) 6.761 3.103 ( 0.209 0.000 0.716) 0.746 3.114 ( -0.368 0.000 -0.489) 0.612 3.168 ( 1.664 0.000 7.027) 7.221 3.255 ( -1.543 0.000 4.325) 4.592 3.269 ( 0.218 0.000 -1.412) 1.429 3.307 ( 1.020 0.000 1.594) 1.892 3.332 ( -0.103 0.000 -0.977) 0.982 3.356 ( -1.549 0.000 -3.486) 3.814 3.790 ( 3.075 0.000 6.889) 7.545 3.854 ( 0.405 0.000 3.565) 3.588 4.033 ( -0.579 0.000 -9.567) 9.585 4.046 ( -0.470 0.000 -7.734) 7.748 9.110 ( 0.173 0.000 0.355) 0.395 9.124 ( -0.525 0.000 -1.072) 1.193 9.243 ( 1.220 0.000 0.441) 1.297 9.252 ( 1.161 0.000 -0.511) 1.269 9.343 ( -0.805 0.000 1.138) 1.394 9.364 ( -1.472 0.000 -1.055) 1.811 9.385 ( -0.838 0.000 1.552) 1.764 9.421 ( -2.521 0.000 -2.151) 3.314 11.141 ( 0.475 0.000 1.217) 1.307 11.155 ( -0.226 0.000 -0.245) 0.333 11.484 ( -0.035 0.000 -0.227) 0.230 11.489 ( -0.273 0.000 -0.713) 0.764 11.563 ( 1.091 0.000 1.736) 2.050 11.585 ( 0.629 0.000 -0.529) 0.822 11.730 ( -1.408 0.000 2.211) 2.621 11.768 ( -2.596 0.000 -1.724) 3.116 12.140 ( 5.008 0.000 2.002) 5.394 12.183 ( 4.157 0.000 -2.520) 4.861 12.346 ( -0.311 0.000 1.136) 1.178 12.372 ( -0.604 0.000 -1.491) 1.608 23.848 ( 0.024 0.000 0.743) 0.744 23.854 ( -0.304 0.000 0.553) 0.631 23.863 ( 0.230 0.000 -0.656) 0.695 23.868 ( -0.039 0.000 -0.656) 0.657 25.102 ( 0.034 0.000 0.630) 0.631 25.103 ( 0.006 0.000 0.545) 0.545 25.307 ( 0.198 0.000 -0.122) 0.232 25.316 ( -0.250 0.000 -1.042) 1.071 25.574 ( 2.630 0.000 2.552) 3.664 25.619 ( 1.492 0.000 -2.085) 2.564 25.942 ( -1.777 0.000 3.937) 4.319 25.993 ( -1.685 0.000 -1.475) 2.239 26.158 ( -2.273 0.000 3.239) 3.957 26.219 ( -4.426 0.000 -2.849) 5.264 26.845 ( 3.497 0.000 0.528) 3.537 26.886 ( 1.133 0.000 -3.499) 3.678 ======================= Grid point 192 (64/80) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -6.407 0.000 0.469) 6.425 0.789 ( 6.407 0.000 0.469) 6.425 0.847 ( -4.491 0.000 4.388) 6.279 0.847 ( 4.491 0.000 4.388) 6.279 0.952 ( -4.200 0.000 -4.568) 6.205 0.952 ( 4.200 0.000 -4.568) 6.205 1.365 ( -2.933 0.000 1.892) 3.490 1.365 ( 2.933 0.000 1.892) 3.490 1.678 ( -4.426 0.000 2.976) 5.334 1.678 ( 4.426 0.000 2.976) 5.334 1.815 ( -1.676 0.000 1.016) 1.960 1.815 ( 1.676 0.000 1.016) 1.960 1.858 ( -4.580 0.000 -1.919) 4.965 1.858 ( 4.580 0.000 -1.919) 4.965 2.088 ( -1.055 0.000 -0.465) 1.153 2.088 ( 1.055 0.000 -0.465) 1.153 2.356 ( -2.593 0.000 1.986) 3.267 2.356 ( 2.593 0.000 1.986) 3.267 2.447 ( -5.887 0.000 1.957) 6.204 2.447 ( 5.887 0.000 1.957) 6.204 2.527 ( -3.348 0.000 0.699) 3.420 2.527 ( 3.348 0.000 0.699) 3.420 2.556 ( -4.014 0.000 -2.492) 4.725 2.556 ( 4.014 0.000 -2.492) 4.725 3.108 ( -0.328 0.000 0.184) 0.376 3.108 ( 0.328 0.000 0.184) 0.376 3.211 ( -2.563 0.000 6.001) 6.525 3.211 ( 2.563 0.000 6.001) 6.525 3.311 ( -3.019 0.000 -3.705) 4.779 3.311 ( 3.019 0.000 -3.705) 4.779 3.324 ( -0.739 0.000 0.271) 0.787 3.324 ( 0.739 0.000 0.271) 0.787 3.835 ( -1.884 0.000 7.019) 7.268 3.835 ( 1.884 0.000 7.019) 7.268 4.037 ( -0.563 0.000 -10.445) 10.461 4.037 ( 0.563 0.000 -10.445) 10.461 9.115 ( -0.405 0.000 -0.330) 0.522 9.115 ( 0.405 0.000 -0.330) 0.522 9.261 ( -0.420 0.000 0.110) 0.434 9.261 ( 0.420 0.000 0.110) 0.434 9.341 ( -0.752 0.000 -0.106) 0.759 9.341 ( 0.752 0.000 -0.106) 0.759 9.386 ( -1.042 0.000 -0.409) 1.119 9.386 ( 1.042 0.000 -0.409) 1.119 11.149 ( -0.409 0.000 0.502) 0.648 11.149 ( 0.409 0.000 0.502) 0.648 11.485 ( -0.143 0.000 -0.487) 0.507 11.485 ( 0.143 0.000 -0.487) 0.507 11.582 ( -0.832 0.000 1.069) 1.354 11.582 ( 0.832 0.000 1.069) 1.354 11.731 ( -1.277 0.000 -0.220) 1.296 11.731 ( 1.277 0.000 -0.220) 1.296 12.206 ( -1.657 0.000 0.570) 1.753 12.206 ( 1.657 0.000 0.570) 1.753 12.354 ( -1.104 0.000 -0.893) 1.420 12.354 ( 1.104 0.000 -0.893) 1.420 23.850 ( -0.195 0.000 0.758) 0.783 23.850 ( 0.195 0.000 0.758) 0.783 23.866 ( -0.134 0.000 -0.760) 0.772 23.866 ( 0.134 0.000 -0.760) 0.772 25.103 ( -0.021 0.000 0.598) 0.598 25.103 ( 0.021 0.000 0.598) 0.598 25.311 ( -0.260 0.000 -0.592) 0.647 25.311 ( 0.260 0.000 -0.592) 0.647 25.619 ( -1.666 0.000 0.998) 1.942 25.619 ( 1.666 0.000 0.998) 1.942 25.942 ( -2.237 0.000 1.110) 2.498 25.942 ( 2.237 0.000 1.110) 2.498 26.163 ( -1.896 0.000 -0.351) 1.929 26.163 ( 1.896 0.000 -0.351) 1.929 26.887 ( -1.054 0.000 -1.600) 1.916 26.887 ( 1.054 0.000 -1.600) 1.916 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 11.156 10.696) 15.455 0.936 ( 0.000 1.912 5.203) 5.544 0.988 ( 0.000 -0.761 3.618) 3.697 1.016 ( 0.000 12.113 -5.657) 13.369 1.124 ( 0.000 2.886 -2.938) 4.118 1.125 ( 0.000 4.630 -4.210) 6.258 1.381 ( 0.000 1.942 3.334) 3.859 1.440 ( 0.000 5.032 -2.579) 5.654 1.568 ( 0.000 -2.014 5.801) 6.140 1.584 ( 0.000 0.630 7.272) 7.299 1.887 ( 0.000 2.531 -0.351) 2.555 1.913 ( 0.000 3.047 -1.475) 3.385 2.010 ( 0.000 1.096 -0.946) 1.448 2.044 ( 0.000 -2.684 -2.536) 3.693 2.066 ( 0.000 2.477 4.228) 4.900 2.127 ( 0.000 -4.877 6.477) 8.108 2.170 ( 0.000 -0.207 -4.436) 4.441 2.268 ( 0.000 -3.669 -5.005) 6.206 2.304 ( 0.000 2.697 -0.056) 2.697 2.339 ( 0.000 0.204 0.868) 0.892 2.366 ( 0.000 -2.146 4.858) 5.311 2.542 ( 0.000 0.233 -5.082) 5.087 2.653 ( 0.000 2.760 0.514) 2.807 2.729 ( 0.000 1.255 -4.864) 5.023 3.013 ( 0.000 -5.948 1.586) 6.156 3.024 ( 0.000 -4.830 0.573) 4.864 3.215 ( 0.000 -2.051 3.665) 4.200 3.270 ( 0.000 -2.581 -2.006) 3.269 3.369 ( 0.000 4.270 4.820) 6.440 3.388 ( 0.000 5.541 0.542) 5.567 3.389 ( 0.000 8.461 3.102) 9.011 3.487 ( 0.000 6.474 -3.779) 7.496 3.700 ( 0.000 0.956 2.164) 2.366 3.742 ( 0.000 -0.725 -2.425) 2.531 4.017 ( 0.000 -4.091 -1.335) 4.304 4.044 ( 0.000 -4.063 -4.603) 6.139 9.102 ( 0.000 -0.486 0.961) 1.077 9.127 ( 0.000 -0.740 -1.600) 1.763 9.226 ( 0.000 0.575 0.013) 0.576 9.228 ( 0.000 0.940 -0.162) 0.954 9.373 ( 0.000 -0.042 2.345) 2.346 9.411 ( 0.000 1.153 -1.753) 2.098 9.419 ( 0.000 -0.072 2.309) 2.311 9.472 ( 0.000 -1.622 -3.130) 3.525 11.134 ( 0.000 0.441 1.667) 1.724 11.164 ( 0.000 0.513 -1.460) 1.548 11.469 ( 0.000 -1.578 0.012) 1.578 11.479 ( 0.000 -1.529 -0.924) 1.787 11.553 ( 0.000 0.718 0.691) 0.996 11.562 ( 0.000 0.633 -0.285) 0.694 11.839 ( 0.000 0.188 1.831) 1.841 11.875 ( 0.000 -0.365 -1.864) 1.900 11.948 ( 0.000 -0.490 1.821) 1.886 11.979 ( 0.000 -0.407 -1.330) 1.391 12.356 ( 0.000 -0.914 0.351) 0.979 12.361 ( 0.000 -0.997 -0.082) 1.000 23.851 ( 0.000 -0.143 0.008) 0.143 23.851 ( 0.000 -0.202 -0.001) 0.202 23.858 ( 0.000 -0.367 0.190) 0.413 23.862 ( 0.000 -0.252 -0.239) 0.348 25.121 ( 0.000 1.639 0.527) 1.722 25.131 ( 0.000 2.496 -0.604) 2.568 25.317 ( 0.000 1.049 0.470) 1.149 25.337 ( 0.000 1.354 -1.597) 2.094 25.524 ( 0.000 0.289 2.144) 2.164 25.571 ( 0.000 0.133 -2.852) 2.855 25.982 ( 0.000 1.038 0.708) 1.257 25.998 ( 0.000 1.234 -1.001) 1.588 26.306 ( 0.000 -1.287 4.958) 5.122 26.389 ( 0.000 -1.884 -3.600) 4.063 26.663 ( 0.000 -1.916 6.887) 7.149 26.789 ( 0.000 -2.773 -6.312) 6.895 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.17 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -0.582 7.074 9.549) 11.898 0.911 ( -2.650 6.471 8.150) 10.739 0.937 ( -3.440 -1.196 0.136) 3.645 1.032 ( 0.628 13.251 -3.419) 13.699 1.109 ( -0.651 4.835 -2.092) 5.308 1.140 ( -0.876 5.202 -6.061) 8.035 1.397 ( 2.918 0.062 3.963) 4.922 1.466 ( 3.509 2.687 -2.966) 5.323 1.567 ( -1.725 1.716 6.349) 6.799 1.651 ( 5.130 -1.030 2.709) 5.892 1.759 ( -10.397 2.612 2.020) 10.909 1.778 ( -8.073 0.525 0.271) 8.095 1.991 ( -3.690 -4.128 2.932) 6.265 2.033 ( -0.115 -2.363 -2.608) 3.521 2.100 ( 0.944 0.384 -2.461) 2.663 2.125 ( -2.658 0.261 -3.576) 4.463 2.213 ( 5.352 -1.820 3.669) 6.739 2.281 ( 1.631 -1.896 -3.303) 4.143 2.328 ( 1.942 3.264 2.296) 4.438 2.334 ( 0.812 2.193 6.775) 7.167 2.468 ( 7.964 -1.459 -1.787) 8.292 2.549 ( 0.974 0.063 -3.498) 3.632 2.629 ( -2.417 1.878 1.179) 3.280 2.720 ( -1.665 1.088 -5.696) 6.033 3.039 ( 2.714 -4.294 1.348) 5.256 3.047 ( 2.210 -3.687 0.747) 4.363 3.215 ( -0.011 -2.104 3.276) 3.893 3.255 ( -1.623 -1.878 -0.187) 2.489 3.321 ( -3.812 6.406 2.961) 8.021 3.357 ( -2.152 4.068 0.786) 4.669 3.407 ( -0.052 7.192 1.933) 7.447 3.461 ( -1.125 5.816 -2.343) 6.370 3.732 ( 2.846 0.432 3.413) 4.465 3.787 ( 3.382 -1.702 -1.628) 4.121 4.010 ( -0.975 -4.318 -2.870) 5.276 4.023 ( -1.447 -3.307 -5.167) 6.303 9.104 ( 0.189 -0.332 0.808) 0.894 9.126 ( -0.110 -0.513 -1.463) 1.554 9.233 ( 0.744 0.734 0.241) 1.072 9.239 ( 1.051 0.798 -0.412) 1.383 9.364 ( -0.900 -0.220 2.279) 2.460 9.401 ( -1.052 0.987 -1.667) 2.205 9.406 ( -1.202 0.309 1.862) 2.237 9.452 ( -1.994 -1.316 -2.799) 3.680 11.134 ( -0.046 0.122 1.422) 1.428 11.158 ( -0.572 0.091 -1.121) 1.262 11.465 ( -0.393 -1.839 -0.041) 1.881 11.474 ( -0.522 -1.779 -0.835) 2.033 11.559 ( 0.735 0.898 1.146) 1.631 11.576 ( 1.256 0.770 -0.661) 1.615 11.788 ( -3.356 0.741 2.501) 4.251 11.828 ( -3.056 0.339 -1.624) 3.477 12.028 ( 5.664 -0.796 1.196) 5.843 12.056 ( 6.440 -1.432 -1.762) 6.828 12.346 ( -0.883 -1.042 0.997) 1.691 12.362 ( -0.156 -1.261 -0.709) 1.455 23.847 ( -0.180 -0.164 0.403) 0.470 23.853 ( -0.107 -0.435 -0.018) 0.449 23.858 ( 0.099 -0.122 -0.031) 0.160 23.863 ( 0.050 -0.296 -0.402) 0.502 25.121 ( -0.016 1.602 0.472) 1.670 25.129 ( -0.151 2.347 -0.505) 2.405 25.316 ( -0.056 0.867 0.279) 0.912 25.334 ( -0.340 1.155 -1.536) 1.951 25.544 ( 2.086 0.840 2.453) 3.328 25.594 ( 2.313 0.717 -2.851) 3.741 25.989 ( -0.353 1.739 1.051) 2.063 26.001 ( 0.819 0.904 -0.195) 1.235 26.242 ( -5.691 -0.615 4.502) 7.282 26.313 ( -6.250 -1.236 -2.736) 6.934 26.723 ( 4.661 -3.151 3.935) 6.866 26.812 ( 1.835 -3.393 -5.072) 6.372 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.33 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -2.630 2.587 7.416) 8.283 0.864 ( -4.318 0.907 0.411) 4.431 0.899 ( 1.547 7.569 6.146) 9.872 1.024 ( -2.426 8.756 -6.037) 10.909 1.083 ( -1.048 12.249 -0.273) 12.297 1.113 ( -1.039 7.740 -2.189) 8.111 1.436 ( -3.832 2.238 5.547) 7.104 1.510 ( -0.479 1.833 1.370) 2.338 1.557 ( 0.346 2.005 -0.982) 2.259 1.588 ( 2.716 2.084 -1.107) 3.598 1.721 ( 2.526 -3.231 1.932) 4.534 1.752 ( 1.435 -4.471 -0.298) 4.706 1.895 ( -6.271 -3.611 2.937) 7.810 1.954 ( -7.167 -3.736 -2.542) 8.472 2.094 ( -0.370 0.657 -0.704) 1.032 2.111 ( -1.050 -0.790 -1.238) 1.806 2.301 ( 4.318 -0.245 1.338) 4.528 2.337 ( 3.135 1.722 7.476) 8.287 2.354 ( 4.810 -0.626 -3.958) 6.260 2.413 ( 4.730 1.202 1.275) 5.044 2.555 ( -2.914 2.025 4.870) 6.026 2.574 ( 1.983 1.594 -1.105) 2.773 2.592 ( 1.156 2.142 -2.749) 3.672 2.656 ( -4.716 1.176 -4.777) 6.815 3.092 ( 2.583 -3.221 1.441) 4.373 3.102 ( 3.533 -1.785 0.540) 3.995 3.201 ( -2.594 -1.261 2.143) 3.594 3.215 ( -2.028 0.935 1.931) 2.952 3.272 ( -0.781 2.509 1.449) 3.000 3.311 ( -1.873 3.426 -0.634) 3.956 3.409 ( 0.382 5.951 1.726) 6.208 3.449 ( -0.912 5.337 -1.778) 5.699 3.784 ( 2.450 -0.626 4.961) 5.569 3.828 ( 0.652 -2.200 2.528) 3.414 3.988 ( -0.404 -3.971 -6.465) 7.598 4.009 ( -0.547 -3.056 -7.066) 7.718 9.109 ( 0.358 -0.015 0.378) 0.521 9.123 ( -0.264 -0.053 -1.009) 1.045 9.252 ( 1.172 0.678 0.455) 1.428 9.261 ( 1.122 0.722 -0.560) 1.447 9.348 ( -0.522 0.007 1.506) 1.594 9.376 ( -1.494 0.799 -1.383) 2.187 9.383 ( -1.060 0.306 0.971) 1.469 9.410 ( -2.266 -0.771 -1.824) 3.009 11.134 ( 0.150 -0.446 0.876) 0.995 11.147 ( -0.526 -0.554 -0.448) 0.886 11.458 ( -0.295 -2.274 -0.211) 2.303 11.463 ( -0.532 -2.227 -0.681) 2.389 11.578 ( 1.235 1.210 1.537) 2.313 11.598 ( 0.812 1.067 -0.482) 1.425 11.743 ( -1.327 1.106 2.037) 2.671 11.777 ( -2.392 0.770 -1.463) 2.908 12.129 ( 4.936 -1.030 1.650) 5.306 12.164 ( 4.439 -1.713 -2.061) 5.186 12.328 ( -0.862 -1.640 1.278) 2.251 12.352 ( -1.007 -1.861 -1.190) 2.428 23.845 ( -0.051 -0.244 0.624) 0.672 23.849 ( -0.241 -0.425 0.422) 0.645 23.861 ( 0.160 -0.161 -0.513) 0.561 23.863 ( -0.003 -0.294 -0.590) 0.659 25.121 ( 0.044 1.586 0.305) 1.616 25.126 ( -0.196 2.018 -0.255) 2.043 25.316 ( 0.083 0.597 -0.201) 0.636 25.326 ( -0.434 0.783 -1.272) 1.556 25.597 ( 3.471 2.128 2.784) 4.932 25.644 ( 2.493 2.207 -2.077) 3.924 25.957 ( -2.365 1.392 3.672) 4.584 26.004 ( -1.766 1.132 -1.350) 2.495 26.157 ( -2.160 -0.143 3.034) 3.727 26.212 ( -3.985 -0.512 -2.567) 4.768 26.797 ( 3.051 -4.372 0.942) 5.414 26.838 ( 0.718 -4.309 -3.157) 5.390 ======================= Grid point 199 (68/80) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -3.430 1.968 1.289) 4.159 0.776 ( 3.430 1.968 1.289) 4.159 0.958 ( -3.869 6.045 2.651) 7.651 0.958 ( 3.869 6.045 2.651) 7.651 1.092 ( -1.219 12.755 -0.949) 12.849 1.092 ( 1.219 12.755 -0.949) 12.849 1.412 ( -3.122 4.223 0.712) 5.300 1.412 ( 3.122 4.223 0.712) 5.300 1.659 ( -4.069 -1.220 2.885) 5.135 1.659 ( 4.069 -1.220 2.885) 5.135 1.744 ( -1.795 -4.691 -1.410) 5.217 1.744 ( 1.795 -4.691 -1.410) 5.217 1.839 ( -2.739 -2.486 -0.887) 3.804 1.839 ( 2.739 -2.486 -0.887) 3.804 2.092 ( -0.487 -0.142 -0.149) 0.529 2.092 ( 0.487 -0.142 -0.149) 0.529 2.358 ( -1.181 0.491 2.782) 3.062 2.358 ( 1.181 0.491 2.782) 3.062 2.473 ( -4.894 -2.317 -0.432) 5.432 2.473 ( 4.894 -2.317 -0.432) 5.432 2.512 ( -6.341 2.934 0.018) 6.987 2.512 ( 6.341 2.934 0.018) 6.987 2.614 ( -1.221 4.414 -0.093) 4.580 2.614 ( 1.221 4.414 -0.093) 4.580 3.141 ( -2.652 -3.838 2.324) 5.212 3.141 ( 2.652 -3.838 2.324) 5.212 3.166 ( -2.818 2.176 0.043) 3.561 3.166 ( 2.818 2.176 0.043) 3.561 3.286 ( -1.337 1.441 0.577) 2.048 3.286 ( 1.337 1.441 0.577) 2.048 3.424 ( -1.353 5.591 -0.396) 5.766 3.424 ( 1.353 5.591 -0.396) 5.766 3.818 ( -1.313 -1.516 5.279) 5.647 3.818 ( 1.313 -1.516 5.279) 5.647 3.996 ( -0.835 -3.494 -8.191) 8.944 3.996 ( 0.835 -3.494 -8.191) 8.944 9.116 ( -0.404 0.165 -0.288) 0.522 9.116 ( 0.404 0.165 -0.288) 0.522 9.269 ( -0.438 0.526 0.097) 0.691 9.269 ( 0.438 0.526 0.097) 0.691 9.352 ( -0.942 0.960 -0.148) 1.353 9.352 ( 0.942 0.960 -0.148) 1.353 9.379 ( -0.836 -0.557 -0.479) 1.113 9.379 ( 0.836 -0.557 -0.479) 1.113 11.139 ( -0.346 -0.748 0.237) 0.857 11.139 ( 0.346 -0.748 0.237) 0.857 11.456 ( -0.147 -2.454 -0.461) 2.501 11.456 ( 0.147 -2.454 -0.461) 2.501 11.598 ( -0.758 1.326 0.948) 1.798 11.598 ( 0.758 1.326 0.948) 1.798 11.743 ( -1.144 0.984 -0.107) 1.513 11.743 ( 1.144 0.984 -0.107) 1.513 12.194 ( -1.482 -1.073 0.393) 1.871 12.194 ( 1.482 -1.073 0.393) 1.871 12.329 ( -1.104 -2.353 -0.476) 2.642 12.329 ( 1.104 -2.353 -0.476) 2.642 23.845 ( -0.120 -0.344 0.615) 0.715 23.845 ( 0.120 -0.344 0.615) 0.715 23.863 ( -0.076 -0.244 -0.646) 0.695 23.863 ( 0.076 -0.244 -0.646) 0.695 25.123 ( -0.139 1.722 0.044) 1.728 25.123 ( 0.139 1.722 0.044) 1.728 25.319 ( -0.304 0.553 -0.783) 1.006 25.319 ( 0.304 0.553 -0.783) 1.006 25.654 ( -1.844 3.211 1.226) 3.900 25.654 ( 1.844 3.211 1.226) 3.900 25.949 ( -2.249 0.573 0.880) 2.482 25.949 ( 2.249 0.573 0.880) 2.482 26.162 ( -1.770 0.088 -0.164) 1.779 26.162 ( 1.770 0.088 -0.164) 1.779 26.835 ( -1.084 -4.729 -1.277) 5.017 26.835 ( 1.084 -4.729 -1.277) 5.017 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.000 -5.426 1.701) 5.686 0.903 ( 0.000 -3.704 -1.294) 3.924 1.071 ( 0.000 9.584 12.193) 15.509 1.238 ( 0.000 4.719 -2.520) 5.349 1.292 ( 0.000 9.255 0.803) 9.290 1.304 ( 0.000 10.833 0.414) 10.841 1.475 ( 0.000 6.263 2.944) 6.920 1.544 ( 0.000 1.449 2.503) 2.892 1.558 ( 0.000 4.493 0.750) 4.555 1.626 ( 0.000 4.554 -7.471) 8.750 1.920 ( 0.000 -4.194 1.342) 4.403 1.955 ( 0.000 -1.819 -0.895) 2.027 1.982 ( 0.000 4.530 2.386) 5.120 1.989 ( 0.000 2.043 5.338) 5.716 2.056 ( 0.000 -1.173 0.174) 1.185 2.147 ( 0.000 -3.255 -3.918) 5.093 2.178 ( 0.000 2.392 -1.806) 2.997 2.184 ( 0.000 1.120 -0.761) 1.354 2.375 ( 0.000 4.240 -1.144) 4.392 2.378 ( 0.000 3.893 -1.587) 4.204 2.399 ( 0.000 2.454 9.506) 9.818 2.556 ( 0.000 0.430 -5.328) 5.345 2.667 ( 0.000 -1.297 1.077) 1.685 2.719 ( 0.000 -1.816 -2.993) 3.501 2.872 ( 0.000 -7.291 2.674) 7.766 2.920 ( 0.000 -5.293 -1.994) 5.656 3.178 ( 0.000 -1.912 2.522) 3.165 3.224 ( 0.000 -2.540 -2.139) 3.321 3.456 ( 0.000 4.583 4.361) 6.326 3.505 ( 0.000 5.398 -1.057) 5.500 3.565 ( 0.000 7.006 3.042) 7.638 3.592 ( 0.000 3.426 -0.102) 3.427 3.724 ( 0.000 -0.778 -0.275) 0.825 3.726 ( 0.000 1.299 0.712) 1.481 3.920 ( 0.000 -4.399 -1.199) 4.559 3.946 ( 0.000 -4.615 -4.083) 6.162 9.092 ( 0.000 -0.357 0.796) 0.872 9.112 ( 0.000 -0.636 -1.226) 1.381 9.241 ( 0.000 0.744 0.515) 0.905 9.251 ( 0.000 1.196 -0.541) 1.313 9.346 ( 0.000 -1.975 3.196) 3.757 9.406 ( 0.000 -2.178 -3.136) 3.818 9.448 ( 0.000 2.248 0.531) 2.310 9.465 ( 0.000 1.573 -1.259) 2.015 11.152 ( 0.000 1.308 1.187) 1.766 11.182 ( 0.000 1.291 -2.099) 2.464 11.421 ( 0.000 -3.018 0.005) 3.018 11.433 ( 0.000 -2.783 -1.248) 3.050 11.567 ( 0.000 0.612 0.460) 0.766 11.575 ( 0.000 0.504 -0.354) 0.616 11.847 ( 0.000 0.671 1.274) 1.440 11.866 ( 0.000 -0.389 -0.546) 0.671 11.931 ( 0.000 -1.173 2.005) 2.323 11.963 ( 0.000 -1.084 -1.345) 1.727 12.331 ( 0.000 -1.394 0.284) 1.423 12.333 ( 0.000 -1.522 0.093) 1.525 23.847 ( 0.000 -0.112 -0.014) 0.113 23.847 ( 0.000 -0.080 -0.050) 0.094 23.855 ( 0.000 -0.006 0.162) 0.162 23.859 ( 0.000 -0.083 -0.229) 0.243 25.164 ( 0.000 2.320 0.662) 2.413 25.193 ( 0.000 3.184 -2.597) 4.109 25.334 ( 0.000 0.279 0.836) 0.881 25.368 ( 0.000 1.172 -2.433) 2.701 25.533 ( 0.000 0.568 1.782) 1.870 25.570 ( 0.000 -0.245 -2.402) 2.415 26.016 ( 0.000 2.164 1.496) 2.631 26.037 ( 0.000 2.358 -0.605) 2.434 26.273 ( 0.000 -1.648 3.727) 4.076 26.339 ( 0.000 -2.647 -2.887) 3.917 26.614 ( 0.000 -2.493 5.954) 6.455 26.714 ( 0.000 -4.064 -4.598) 6.137 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.17 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -1.870 -2.357 2.740) 4.070 0.893 ( -0.458 -1.061 -1.760) 2.106 1.110 ( 2.307 8.728 10.766) 14.050 1.231 ( -1.366 3.588 0.584) 3.883 1.276 ( 0.072 10.277 3.128) 10.742 1.367 ( 4.023 12.797 -1.574) 13.506 1.467 ( -0.344 6.895 -0.388) 6.914 1.548 ( 2.024 -1.993 4.821) 5.595 1.563 ( -0.080 5.803 -4.702) 7.469 1.631 ( -0.000 -0.971 -3.050) 3.201 1.800 ( -10.156 4.763 5.561) 12.521 1.880 ( -6.323 -2.979 1.636) 7.179 1.901 ( -6.776 4.220 -2.277) 8.301 1.958 ( -1.374 -1.113 -2.996) 3.480 2.097 ( 0.955 -1.040 1.310) 1.926 2.113 ( -2.682 -1.584 -0.760) 3.207 2.199 ( 3.329 -0.432 -0.044) 3.357 2.232 ( 2.964 -1.467 -3.310) 4.679 2.391 ( -0.541 2.786 6.022) 6.657 2.409 ( 2.284 3.395 2.427) 4.757 2.493 ( 8.715 2.651 0.161) 9.111 2.574 ( 3.606 1.577 -5.120) 6.458 2.637 ( -2.740 -0.978 2.386) 3.763 2.708 ( -1.535 -1.836 -3.701) 4.407 2.913 ( 3.389 -6.783 2.130) 7.876 2.958 ( 3.340 -4.882 -1.930) 6.222 3.183 ( 0.646 -1.461 2.791) 3.216 3.229 ( 0.497 -1.367 -1.637) 2.190 3.437 ( -2.255 4.465 3.348) 6.019 3.466 ( -3.381 6.011 0.248) 6.902 3.553 ( -1.333 5.758 2.432) 6.391 3.580 ( -0.827 5.143 -0.255) 5.215 3.741 ( 1.404 0.135 0.919) 1.684 3.750 ( 2.104 -1.148 -0.969) 2.586 3.907 ( -1.241 -4.656 -0.743) 4.876 3.942 ( -0.382 -4.121 -3.990) 5.749 9.098 ( 0.578 -0.159 0.715) 0.933 9.116 ( 0.433 -0.373 -1.175) 1.307 9.249 ( 0.751 0.707 0.503) 1.148 9.259 ( 0.771 1.006 -0.581) 1.394 9.337 ( -0.647 -1.766 2.841) 3.407 9.392 ( -1.358 -2.020 -2.842) 3.742 9.437 ( -1.113 2.144 0.401) 2.449 9.453 ( -1.320 1.622 -1.174) 2.398 11.144 ( -0.679 1.046 0.882) 1.528 11.168 ( -1.291 1.034 -1.700) 2.372 11.411 ( -0.878 -3.231 -0.033) 3.348 11.422 ( -1.042 -3.037 -1.140) 3.407 11.578 ( 1.197 0.893 0.856) 1.721 11.592 ( 1.610 0.653 -0.552) 1.823 11.809 ( -2.570 1.148 2.031) 3.471 11.837 ( -2.233 0.591 -0.941) 2.494 12.000 ( 5.378 -1.859 0.965) 5.772 12.018 ( 4.981 -1.982 -0.841) 5.426 12.317 ( -1.338 -1.580 0.773) 2.210 12.327 ( -0.827 -1.871 -0.351) 2.075 23.844 ( -0.206 -0.074 0.203) 0.298 23.846 ( -0.166 -0.113 -0.028) 0.202 23.856 ( 0.076 -0.068 -0.024) 0.105 23.859 ( -0.010 -0.121 -0.298) 0.322 25.163 ( -0.099 2.266 0.461) 2.315 25.188 ( -0.527 2.985 -2.322) 3.819 25.328 ( -0.510 -0.007 0.509) 0.720 25.357 ( -0.979 0.702 -2.410) 2.694 25.568 ( 3.610 1.383 2.243) 4.469 25.610 ( 3.948 0.662 -2.345) 4.639 26.032 ( 0.572 2.064 1.380) 2.548 26.043 ( 0.881 3.232 0.350) 3.368 26.223 ( -4.677 -1.107 3.204) 5.777 26.281 ( -4.994 -1.621 -2.519) 5.823 26.641 ( 2.201 -4.219 4.289) 6.406 26.720 ( 0.357 -4.949 -3.889) 6.305 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.845 2.331 4.342) 5.000 0.896 ( 0.398 4.066 -1.390) 4.315 1.091 ( -3.297 7.953 6.226) 10.624 1.188 ( -5.068 5.151 -3.059) 7.847 1.288 ( 2.975 10.113 9.881) 14.449 1.429 ( 1.140 14.663 3.776) 15.184 1.468 ( 0.479 3.339 -1.707) 3.781 1.569 ( 1.645 -0.661 1.802) 2.528 1.596 ( 0.297 4.869 -0.061) 4.878 1.637 ( 1.313 -2.043 -0.336) 2.452 1.690 ( 0.228 0.672 -2.530) 2.628 1.717 ( -7.072 4.506 -4.772) 9.648 1.813 ( -5.320 -1.471 3.248) 6.404 1.896 ( -4.888 0.174 -4.584) 6.703 2.072 ( -1.349 -2.799 0.734) 3.192 2.088 ( -1.494 -1.709 -0.450) 2.314 2.274 ( 4.602 -2.020 0.487) 5.050 2.308 ( 5.078 -2.173 -1.862) 5.829 2.385 ( -0.075 1.599 4.238) 4.530 2.435 ( 0.815 0.275 0.449) 0.970 2.574 ( -3.348 -0.803 2.547) 4.283 2.615 ( 0.982 -0.287 -0.412) 1.103 2.670 ( 2.968 4.024 -0.945) 5.089 2.686 ( 3.558 2.936 -1.991) 5.025 2.969 ( 2.542 -6.321 1.377) 6.951 3.010 ( 1.612 -5.457 -2.021) 6.038 3.203 ( 1.459 0.206 2.700) 3.076 3.239 ( 0.404 0.565 -0.641) 0.945 3.379 ( -3.082 5.484 2.026) 6.609 3.404 ( -3.195 5.418 0.083) 6.290 3.532 ( -0.505 5.155 2.277) 5.658 3.562 ( -1.225 5.088 -0.718) 5.282 3.766 ( 1.188 -0.917 1.515) 2.132 3.783 ( 0.978 -1.537 0.410) 1.867 3.893 ( 0.232 -4.324 -1.343) 4.534 3.932 ( -0.794 -3.974 -4.232) 5.859 9.112 ( 0.821 0.309 0.449) 0.986 9.125 ( 0.349 0.269 -0.902) 1.004 9.262 ( 0.406 -0.026 0.556) 0.689 9.270 ( 0.167 -0.223 -0.252) 0.375 9.338 ( 1.134 -0.357 1.181) 1.676 9.369 ( -0.669 -1.077 -1.858) 2.249 9.409 ( -1.794 1.745 0.076) 2.504 9.419 ( -2.234 1.510 -0.915) 2.847 11.133 ( -0.428 0.542 0.287) 0.748 11.144 ( -1.090 0.531 -0.948) 1.539 11.395 ( -0.679 -3.573 -0.253) 3.645 11.402 ( -1.001 -3.480 -0.904) 3.732 11.607 ( 1.775 1.537 1.284) 2.675 11.624 ( 1.523 1.328 -0.378) 2.056 11.769 ( -1.532 1.221 1.753) 2.629 11.795 ( -2.235 0.823 -0.892) 2.543 12.098 ( 5.009 -1.821 0.960) 5.416 12.118 ( 5.025 -2.514 -1.051) 5.717 12.283 ( -2.121 -2.328 1.187) 3.366 12.301 ( -2.036 -2.722 -0.642) 3.459 23.840 ( -0.128 -0.092 0.324) 0.361 23.842 ( -0.211 -0.118 0.162) 0.291 23.857 ( 0.063 -0.166 -0.281) 0.333 23.858 ( -0.023 -0.185 -0.386) 0.429 25.162 ( 0.078 2.213 -0.082) 2.216 25.176 ( -0.619 2.598 -1.649) 3.139 25.321 ( -0.121 -0.277 -0.280) 0.412 25.338 ( -0.953 0.079 -2.002) 2.219 25.655 ( 5.492 3.077 2.865) 6.916 25.699 ( 5.096 2.641 -1.833) 6.025 25.993 ( -4.064 1.798 3.713) 5.791 26.044 ( -3.403 2.580 -1.723) 4.605 26.154 ( -0.606 0.055 3.153) 3.211 26.209 ( -2.179 0.568 -2.462) 3.336 26.677 ( 1.608 -6.554 1.798) 6.983 26.719 ( -0.531 -6.538 -2.522) 7.028 ======================= Grid point 206 (72/80) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -2.863 6.757 3.713) 8.225 0.874 ( 2.863 6.757 3.713) 8.225 1.086 ( -3.882 5.607 -1.368) 6.956 1.086 ( 3.882 5.607 -1.368) 6.956 1.367 ( -4.916 9.687 11.111) 15.539 1.367 ( 4.916 9.687 11.111) 15.539 1.537 ( -5.511 8.167 -4.906) 11.007 1.537 ( 5.511 8.167 -4.906) 11.007 1.618 ( -3.073 -3.644 0.841) 4.840 1.618 ( 3.073 -3.644 0.841) 4.840 1.698 ( -4.800 2.213 0.208) 5.289 1.698 ( 4.800 2.213 0.208) 5.289 1.795 ( -5.660 0.217 -4.530) 7.252 1.795 ( 5.660 0.217 -4.530) 7.252 2.064 ( -0.612 -2.856 0.192) 2.927 2.064 ( 0.612 -2.856 0.192) 2.927 2.349 ( -2.480 -2.206 3.383) 4.739 2.349 ( 2.480 -2.206 3.383) 4.739 2.414 ( -3.527 -1.326 -2.525) 4.536 2.414 ( 3.527 -1.326 -2.525) 4.536 2.559 ( -2.764 0.049 1.224) 3.023 2.559 ( 2.764 0.049 1.224) 3.024 2.725 ( -0.911 5.024 0.099) 5.106 2.725 ( 0.911 5.024 0.099) 5.106 3.009 ( -1.533 -6.094 -0.186) 6.287 3.009 ( 1.533 -6.094 -0.186) 6.287 3.231 ( -1.319 1.462 0.749) 2.107 3.231 ( 1.319 1.462 0.749) 2.107 3.359 ( -1.175 5.150 0.711) 5.330 3.359 ( 1.175 5.150 0.711) 5.330 3.539 ( -1.071 4.797 0.532) 4.944 3.539 ( 1.071 4.797 0.532) 4.944 3.784 ( -0.649 -1.335 2.180) 2.637 3.784 ( 0.649 -1.335 2.180) 2.637 3.911 ( -1.305 -4.069 -3.662) 5.628 3.911 ( 1.305 -4.069 -3.662) 5.628 9.124 ( -0.426 0.642 -0.177) 0.791 9.124 ( 0.426 0.642 -0.177) 0.791 9.266 ( -0.342 -1.067 0.144) 1.129 9.266 ( 0.342 -1.067 0.144) 1.129 9.374 ( -1.868 0.774 -0.312) 2.046 9.374 ( 1.868 0.774 -0.312) 2.046 9.378 ( -0.954 0.949 -0.570) 1.461 9.378 ( 0.954 0.949 -0.570) 1.461 11.131 ( -0.297 0.297 -0.299) 0.516 11.131 ( 0.297 0.297 -0.299) 0.516 11.390 ( -0.190 -3.702 -0.589) 3.753 11.390 ( 0.190 -3.702 -0.589) 3.753 11.634 ( -0.685 2.022 0.821) 2.287 11.634 ( 0.685 2.022 0.821) 2.287 11.762 ( -0.939 0.681 0.134) 1.168 11.762 ( 0.939 0.681 0.134) 1.168 12.166 ( -1.150 -1.429 0.098) 1.837 12.166 ( 1.150 -1.429 0.098) 1.837 12.263 ( -1.075 -3.623 0.146) 3.782 12.263 ( 1.075 -3.623 0.146) 3.782 23.840 ( -0.057 -0.116 0.296) 0.323 23.840 ( 0.057 -0.116 0.296) 0.323 23.858 ( -0.033 -0.212 -0.395) 0.449 23.858 ( 0.033 -0.212 -0.395) 0.449 25.167 ( -0.391 2.312 -0.837) 2.490 25.167 ( 0.391 2.312 -0.837) 2.490 25.324 ( -0.479 -0.249 -1.210) 1.325 25.324 ( 0.479 -0.249 -1.210) 1.325 25.742 ( -2.221 4.715 1.551) 5.438 25.742 ( 2.221 4.715 1.551) 5.438 25.959 ( -2.655 0.127 0.454) 2.697 25.959 ( 2.655 0.127 0.454) 2.697 26.179 ( -1.720 1.835 0.179) 2.521 26.179 ( 1.720 1.835 0.179) 2.521 26.702 ( -1.195 -7.416 -0.643) 7.539 26.702 ( 1.195 -7.416 -0.643) 7.539 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 -2.413 0.533) 2.471 0.823 ( 0.000 -3.312 -3.288) 4.667 1.218 ( 0.000 4.288 6.444) 7.740 1.238 ( 0.000 -1.698 2.818) 3.290 1.390 ( 0.000 -0.757 -0.525) 0.921 1.445 ( 0.000 0.013 -4.397) 4.397 1.579 ( 0.000 3.995 4.209) 5.803 1.616 ( 0.000 2.750 0.356) 2.773 1.675 ( 0.000 10.188 4.601) 11.179 1.747 ( 0.000 3.818 -2.092) 4.353 1.912 ( 0.000 4.791 1.542) 5.033 1.935 ( 0.000 -0.281 1.444) 1.472 2.013 ( 0.000 -1.173 0.930) 1.497 2.040 ( 0.000 -0.544 -0.706) 0.891 2.117 ( 0.000 6.873 2.277) 7.241 2.171 ( 0.000 6.905 -1.325) 7.031 2.206 ( 0.000 1.032 -0.034) 1.032 2.253 ( 0.000 5.340 -3.566) 6.421 2.389 ( 0.000 -4.642 4.592) 6.530 2.413 ( 0.000 -2.327 0.744) 2.443 2.470 ( 0.000 1.821 1.291) 2.232 2.528 ( 0.000 -2.779 -3.560) 4.516 2.615 ( 0.000 -3.381 2.729) 4.345 2.683 ( 0.000 -2.463 -4.286) 4.943 2.767 ( 0.000 1.300 3.975) 4.182 2.860 ( 0.000 1.569 -5.209) 5.440 3.099 ( 0.000 -5.872 0.858) 5.934 3.137 ( 0.000 -5.811 -2.940) 6.512 3.551 ( 0.000 3.783 4.575) 5.937 3.586 ( 0.000 1.891 1.018) 2.148 3.664 ( 0.000 3.665 -0.784) 3.748 3.672 ( 0.000 3.200 -0.819) 3.304 3.721 ( 0.000 0.609 2.854) 2.918 3.743 ( 0.000 0.250 0.844) 0.880 3.847 ( 0.000 -2.456 -0.919) 2.622 3.861 ( 0.000 -3.377 -1.817) 3.835 9.089 ( 0.000 0.056 0.468) 0.471 9.101 ( 0.000 -0.413 -0.772) 0.875 9.257 ( 0.000 0.774 1.147) 1.384 9.278 ( 0.000 1.358 -1.024) 1.701 9.305 ( 0.000 -1.707 2.652) 3.154 9.355 ( 0.000 -2.384 -2.471) 3.433 9.493 ( 0.000 1.789 -0.192) 1.799 9.501 ( 0.000 1.395 -0.995) 1.714 11.193 ( 0.000 2.608 0.763) 2.717 11.221 ( 0.000 2.476 -2.342) 3.408 11.346 ( 0.000 -3.931 0.129) 3.933 11.365 ( 0.000 -3.619 -1.812) 4.048 11.578 ( 0.000 0.363 0.210) 0.420 11.582 ( 0.000 0.179 -0.292) 0.342 11.863 ( 0.000 0.182 0.855) 0.874 11.868 ( 0.000 1.239 0.275) 1.269 11.903 ( 0.000 -1.331 2.081) 2.470 11.935 ( 0.000 -1.527 -1.271) 1.987 12.303 ( 0.000 -1.165 0.173) 1.177 12.303 ( 0.000 -1.120 0.159) 1.131 23.847 ( 0.000 0.125 0.017) 0.126 23.848 ( 0.000 0.127 -0.077) 0.148 23.855 ( 0.000 0.052 0.056) 0.076 23.858 ( 0.000 -0.036 -0.155) 0.159 25.215 ( 0.000 2.479 0.883) 2.631 25.258 ( 0.000 2.793 -3.728) 4.659 25.322 ( 0.000 -1.157 0.872) 1.449 25.373 ( 0.000 -0.887 -4.131) 4.225 25.549 ( 0.000 0.856 1.162) 1.443 25.565 ( 0.000 -0.118 -0.771) 0.780 26.065 ( 0.000 2.210 2.741) 3.521 26.085 ( 0.000 1.785 1.137) 2.116 26.247 ( 0.000 -0.617 0.943) 1.127 26.286 ( 0.000 -2.168 -2.558) 3.353 26.571 ( 0.000 -1.254 4.004) 4.196 26.630 ( 0.000 -3.683 -2.224) 4.303 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.17 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 2.747 -0.549 2.139) 3.525 0.865 ( 4.342 -1.747 -3.626) 5.921 1.232 ( 1.617 3.251 5.909) 6.936 1.272 ( 1.445 1.040 2.530) 3.093 1.401 ( 2.270 0.671 2.865) 3.717 1.476 ( 2.649 -2.873 -3.488) 5.238 1.548 ( -2.947 2.404 5.658) 6.817 1.611 ( -1.341 2.888 -0.229) 3.193 1.667 ( 0.104 10.143 2.982) 10.573 1.717 ( -2.837 3.776 -1.218) 4.877 1.859 ( -6.487 1.841 1.343) 6.876 1.875 ( -4.642 3.447 -1.261) 5.917 1.974 ( -2.859 2.500 2.035) 4.309 2.034 ( -0.602 0.761 -2.774) 2.939 2.086 ( -3.823 5.126 3.459) 7.270 2.156 ( -5.210 5.916 -4.046) 8.860 2.203 ( 1.350 1.392 -0.341) 1.969 2.224 ( 2.413 0.372 -2.869) 3.767 2.410 ( -0.032 -2.251 4.854) 5.350 2.434 ( -1.549 -0.330 4.003) 4.306 2.489 ( 4.162 -4.067 -0.677) 5.858 2.531 ( 0.929 -5.324 -3.823) 6.620 2.626 ( 1.497 -1.299 2.306) 3.041 2.685 ( 0.352 -1.022 -3.822) 3.972 2.829 ( 5.313 1.495 2.842) 6.208 2.908 ( 4.136 2.115 -4.645) 6.570 3.113 ( 1.871 -5.359 1.985) 6.013 3.164 ( 2.504 -4.919 -3.099) 6.331 3.530 ( -2.022 3.976 4.144) 6.089 3.569 ( -1.817 3.024 0.241) 3.536 3.644 ( -1.719 3.678 2.165) 4.601 3.675 ( -0.844 3.412 -0.092) 3.516 3.730 ( 1.508 -0.241 0.014) 1.527 3.747 ( 0.327 -0.457 -0.410) 0.695 3.833 ( -0.999 -2.207 0.799) 2.551 3.862 ( -0.061 -3.132 -1.896) 3.662 9.099 ( 0.990 0.214 0.464) 1.114 9.110 ( 0.976 -0.220 -0.764) 1.259 9.261 ( 0.198 0.453 0.960) 1.080 9.276 ( -0.874 0.361 -0.267) 0.983 9.306 ( 0.880 -0.791 1.660) 2.039 9.347 ( -0.532 -1.981 -2.228) 3.029 9.480 ( -1.391 1.683 -0.204) 2.193 9.488 ( -1.447 1.326 -0.968) 2.189 11.182 ( -1.042 2.522 0.464) 2.768 11.205 ( -1.597 2.452 -2.034) 3.564 11.333 ( -1.152 -4.026 0.036) 4.188 11.349 ( -1.452 -3.785 -1.620) 4.366 11.595 ( 1.803 0.611 0.474) 1.962 11.602 ( 2.036 0.279 -0.317) 2.079 11.835 ( -1.950 1.303 1.644) 2.864 11.853 ( -1.852 0.846 -0.222) 2.049 11.958 ( 4.904 -1.796 1.110) 5.339 11.976 ( 4.026 -1.973 -0.732) 4.542 12.286 ( -1.717 -1.182 0.426) 2.128 12.291 ( -1.472 -1.431 -0.090) 2.055 23.845 ( -0.173 0.177 0.110) 0.271 23.847 ( -0.124 0.165 -0.146) 0.253 23.854 ( -0.078 -0.047 0.042) 0.101 23.857 ( -0.089 -0.080 -0.194) 0.228 25.213 ( -0.199 2.428 0.561) 2.500 25.250 ( -0.848 2.836 -3.493) 4.579 25.311 ( -0.831 -1.443 0.671) 1.795 25.354 ( -1.630 -1.114 -3.667) 4.164 25.598 ( 4.943 1.351 1.494) 5.337 25.620 ( 5.315 0.293 -0.995) 5.415 26.082 ( 0.601 2.394 3.502) 4.284 26.112 ( 2.900 2.683 1.461) 4.212 26.201 ( -4.752 -0.626 0.626) 4.834 26.250 ( -2.817 -1.354 -3.257) 4.514 26.565 ( -0.811 -2.557 3.518) 4.424 26.618 ( -1.377 -4.422 -2.088) 5.081 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.33 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 6.431 3.292 5.014) 8.794 0.974 ( 7.122 1.792 -3.011) 7.937 1.223 ( -6.469 4.421 5.303) 9.461 1.250 ( -1.138 2.783 2.767) 4.086 1.458 ( 0.974 4.902 8.055) 9.479 1.503 ( 1.417 -0.716 1.265) 2.030 1.529 ( -0.033 -0.863 1.970) 2.151 1.574 ( 0.059 0.221 0.072) 0.240 1.663 ( -0.445 0.617 1.098) 1.336 1.696 ( -0.974 5.463 5.161) 7.578 1.722 ( -5.316 -0.047 -2.523) 5.885 1.814 ( -0.513 6.283 -6.210) 8.849 1.922 ( -3.295 7.921 2.244) 8.867 1.994 ( -5.091 3.763 0.118) 6.332 2.020 ( -1.211 -0.027 -2.592) 2.861 2.054 ( -4.464 3.396 -4.873) 7.430 2.257 ( 3.532 0.983 0.207) 3.672 2.287 ( 3.599 0.278 -2.476) 4.377 2.400 ( -1.090 -0.346 2.940) 3.155 2.416 ( -0.123 -2.318 1.931) 3.019 2.505 ( -1.208 -4.368 0.589) 4.570 2.543 ( -0.738 -4.993 -1.646) 5.308 2.671 ( 2.820 -5.587 0.582) 6.285 2.706 ( 1.471 -3.303 -2.641) 4.478 2.925 ( 4.681 3.552 1.923) 6.183 2.978 ( 2.747 4.019 -3.018) 5.728 3.165 ( 3.244 -3.892 2.483) 5.642 3.209 ( 1.739 -3.536 -1.975) 4.407 3.488 ( -1.937 4.970 3.096) 6.167 3.525 ( -2.804 5.132 -0.493) 5.868 3.609 ( -1.397 1.989 2.842) 3.739 3.644 ( -2.346 2.150 -0.596) 3.237 3.752 ( 1.217 -0.239 0.753) 1.451 3.772 ( 1.425 0.128 -1.125) 1.820 3.822 ( 0.032 -2.234 1.628) 2.765 3.856 ( -0.660 -2.923 -1.733) 3.462 9.123 ( 1.510 0.722 0.423) 1.727 9.133 ( 1.327 0.467 -0.685) 1.565 9.245 ( -1.746 -1.187 0.738) 2.237 9.252 ( -1.439 -1.218 -0.001) 1.885 9.341 ( 2.633 0.432 0.082) 2.670 9.354 ( 1.534 -0.322 -1.111) 1.921 9.444 ( -2.421 1.360 -0.255) 2.789 9.450 ( -2.583 1.129 -0.846) 2.943 11.163 ( -0.794 2.309 -0.131) 2.445 11.174 ( -1.441 2.298 -1.363) 3.035 11.312 ( -0.889 -4.149 -0.326) 4.256 11.321 ( -1.345 -4.048 -1.227) 4.439 11.640 ( 2.871 1.392 0.916) 3.320 11.650 ( 2.898 1.008 -0.170) 3.073 11.792 ( -2.572 0.924 1.494) 3.114 11.808 ( -2.856 0.361 -0.165) 2.884 12.058 ( 5.562 -1.699 0.525) 5.840 12.068 ( 5.424 -2.033 -0.379) 5.805 12.240 ( -3.212 -1.584 0.627) 3.636 12.248 ( -3.103 -2.003 -0.251) 3.702 23.842 ( -0.122 0.229 0.133) 0.291 23.844 ( -0.206 0.236 -0.055) 0.319 23.853 ( -0.030 -0.188 -0.094) 0.212 23.855 ( -0.104 -0.169 -0.228) 0.302 25.211 ( 0.063 2.355 -0.281) 2.373 25.232 ( -0.999 2.616 -2.550) 3.787 25.302 ( -0.151 -1.541 -0.294) 1.576 25.325 ( -1.346 -1.342 -2.719) 3.317 25.715 ( 7.258 2.321 2.069) 7.896 25.742 ( 7.446 1.218 -0.927) 7.602 26.029 ( -6.066 1.553 3.983) 7.421 26.079 ( -7.802 -0.060 -0.763) 7.840 26.186 ( 4.407 3.510 2.246) 6.065 26.241 ( 1.581 2.246 -3.003) 4.070 26.542 ( -1.320 -5.659 2.268) 6.238 26.580 ( -2.588 -6.291 -1.687) 7.009 ======================= Grid point 213 (76/80) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -6.629 7.051 5.768) 11.266 1.029 ( 6.629 7.051 5.768) 11.266 1.163 ( -5.774 1.207 -0.654) 5.935 1.163 ( 5.774 1.207 -0.654) 5.935 1.485 ( -2.168 4.261 8.053) 9.365 1.485 ( 2.168 4.261 8.053) 9.365 1.562 ( -3.248 -0.174 -0.927) 3.382 1.562 ( 3.248 -0.174 -0.927) 3.383 1.644 ( -1.298 -0.418 1.473) 2.007 1.644 ( 1.298 -0.418 1.473) 2.007 1.782 ( -5.706 0.816 0.362) 5.775 1.782 ( 5.706 0.816 0.362) 5.775 1.906 ( -3.692 8.058 -2.652) 9.252 1.906 ( 3.692 8.058 -2.652) 9.252 2.010 ( -0.530 2.451 -3.889) 4.628 2.010 ( 0.530 2.451 -3.889) 4.628 2.314 ( -1.702 -0.249 0.484) 1.787 2.314 ( 1.702 -0.249 0.484) 1.787 2.397 ( -1.557 -1.472 -0.569) 2.217 2.397 ( 1.557 -1.472 -0.569) 2.217 2.510 ( -1.903 -3.216 0.960) 3.858 2.510 ( 1.903 -3.216 0.960) 3.858 2.711 ( -1.152 -7.267 -1.634) 7.537 2.711 ( 1.152 -7.267 -1.634) 7.537 2.989 ( -1.741 4.895 0.264) 5.202 2.989 ( 1.741 4.895 0.264) 5.202 3.213 ( -1.444 -3.045 0.634) 3.429 3.213 ( 1.444 -3.045 0.634) 3.429 3.480 ( -1.338 5.818 0.763) 6.018 3.480 ( 1.338 5.818 0.763) 6.018 3.607 ( -1.202 1.274 0.800) 1.925 3.607 ( 1.202 1.274 0.800) 1.925 3.774 ( -0.917 0.410 1.063) 1.463 3.774 ( 0.917 0.410 1.063) 1.463 3.838 ( -1.249 -2.779 -0.954) 3.193 3.838 ( 1.249 -2.779 -0.954) 3.193 9.145 ( -0.465 1.370 -0.048) 1.447 9.145 ( 0.465 1.370 -0.048) 1.447 9.229 ( -0.455 -2.234 0.117) 2.283 9.229 ( 0.455 -2.234 0.117) 2.283 9.393 ( -0.701 0.908 -0.458) 1.236 9.393 ( 0.701 0.908 -0.458) 1.236 9.399 ( -0.802 0.727 -0.513) 1.198 9.399 ( 0.802 0.727 -0.513) 1.198 11.157 ( -0.301 2.200 -0.725) 2.336 11.157 ( 0.301 2.200 -0.725) 2.336 11.306 ( -0.241 -4.184 -0.786) 4.264 11.306 ( 0.241 -4.184 -0.786) 4.264 11.683 ( -0.677 2.546 0.738) 2.735 11.683 ( 0.677 2.546 0.738) 2.735 11.764 ( -0.824 -0.635 0.406) 1.117 11.764 ( 0.824 -0.635 0.406) 1.117 12.141 ( -1.005 -0.709 -0.022) 1.230 12.141 ( 1.005 -0.709 -0.022) 1.230 12.189 ( -1.021 -3.083 0.263) 3.259 12.189 ( 1.021 -3.083 0.263) 3.259 23.841 ( -0.059 0.250 0.063) 0.264 23.841 ( 0.059 0.250 0.063) 0.264 23.853 ( -0.040 -0.223 -0.200) 0.302 23.853 ( 0.040 -0.223 -0.200) 0.302 25.217 ( -0.577 2.401 -1.386) 2.831 25.217 ( 0.577 2.401 -1.386) 2.831 25.306 ( -0.645 -1.465 -1.536) 2.218 25.306 ( 0.645 -1.465 -1.536) 2.218 25.836 ( -2.641 3.940 1.525) 4.982 25.836 ( 2.641 3.940 1.525) 4.982 25.948 ( -3.128 -1.280 0.568) 3.427 25.948 ( 3.128 -1.280 0.568) 3.427 26.250 ( -1.658 4.902 0.176) 5.178 26.250 ( 1.658 4.902 0.176) 5.178 26.538 ( -1.307 -7.920 -0.174) 8.029 26.538 ( 1.307 -7.920 -0.174) 8.029 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 -1.213 -1.321) 1.794 0.773 ( 0.000 1.213 -1.321) 1.794 1.235 ( 0.000 -1.411 -0.867) 1.656 1.235 ( 0.000 1.411 -0.867) 1.656 1.396 ( 0.000 -2.726 1.404) 3.066 1.396 ( 0.000 2.726 1.404) 3.066 1.643 ( 0.000 -1.399 4.148) 4.377 1.643 ( 0.000 1.399 4.148) 4.377 1.782 ( 0.000 -0.597 -0.678) 0.904 1.782 ( 0.000 0.597 -0.678) 0.904 1.948 ( 0.000 -1.099 2.240) 2.495 1.948 ( 0.000 1.100 2.240) 2.495 2.077 ( 0.000 -3.925 3.918) 5.545 2.077 ( 0.000 3.925 3.918) 5.545 2.206 ( 0.000 -1.181 -2.482) 2.749 2.206 ( 0.000 1.181 -2.482) 2.749 2.259 ( 0.000 -3.337 -0.145) 3.340 2.259 ( 0.000 3.337 -0.145) 3.340 2.340 ( 0.000 -3.369 0.166) 3.373 2.340 ( 0.000 3.369 0.166) 3.373 2.493 ( 0.000 -1.035 1.688) 1.980 2.493 ( 0.000 1.035 1.688) 1.980 2.589 ( 0.000 -3.377 -1.900) 3.875 2.589 ( 0.000 3.377 -1.900) 3.875 2.908 ( 0.000 -6.074 0.422) 6.089 2.908 ( 0.000 6.074 0.422) 6.089 3.001 ( 0.000 -4.445 -4.047) 6.011 3.001 ( 0.000 4.445 -4.047) 6.011 3.598 ( 0.000 -0.679 3.009) 3.085 3.598 ( 0.000 0.679 3.009) 3.085 3.708 ( 0.000 -0.125 -0.006) 0.125 3.708 ( 0.000 0.125 -0.006) 0.125 3.740 ( 0.000 -0.639 -0.005) 0.639 3.740 ( 0.000 0.639 -0.005) 0.639 3.819 ( 0.000 -0.116 0.298) 0.320 3.819 ( 0.000 0.116 0.298) 0.320 9.093 ( 0.000 -0.307 -0.122) 0.330 9.093 ( 0.000 0.307 -0.122) 0.330 9.276 ( 0.000 -1.089 1.904) 2.194 9.276 ( 0.000 1.089 1.904) 2.194 9.311 ( 0.000 -1.783 -1.698) 2.463 9.311 ( 0.000 1.783 -1.698) 2.463 9.515 ( 0.000 -0.182 -0.675) 0.699 9.515 ( 0.000 0.182 -0.675) 0.699 11.259 ( 0.000 -3.084 0.362) 3.106 11.259 ( 0.000 3.084 0.362) 3.106 11.290 ( 0.000 -2.842 -2.191) 3.589 11.290 ( 0.000 2.842 -2.191) 3.589 11.583 ( 0.000 -0.116 -0.068) 0.135 11.583 ( 0.000 0.116 -0.068) 0.135 11.874 ( 0.000 -0.832 1.465) 1.684 11.874 ( 0.000 0.832 1.465) 1.684 11.902 ( 0.000 -1.515 -0.419) 1.572 11.902 ( 0.000 1.515 -0.419) 1.572 12.290 ( 0.000 -0.022 0.126) 0.128 12.290 ( 0.000 0.022 0.126) 0.128 23.849 ( 0.000 -0.038 0.009) 0.039 23.849 ( 0.000 0.038 0.009) 0.039 23.857 ( 0.000 -0.058 -0.081) 0.099 23.857 ( 0.000 0.058 -0.081) 0.099 25.266 ( 0.000 -2.072 0.712) 2.191 25.266 ( 0.000 2.072 0.712) 2.191 25.335 ( 0.000 -2.328 -4.357) 4.940 25.335 ( 0.000 2.328 -4.357) 4.940 25.562 ( 0.000 -0.324 0.535) 0.625 25.562 ( 0.000 0.324 0.535) 0.625 26.098 ( 0.000 -0.628 3.204) 3.265 26.098 ( 0.000 0.628 3.204) 3.265 26.252 ( 0.000 -1.036 -1.956) 2.213 26.252 ( 0.000 1.036 -1.956) 2.213 26.572 ( 0.000 -1.511 0.911) 1.764 26.572 ( 0.000 1.511 0.911) 1.764 ======================= Grid point 219 (78/80) ======================= q-point: ( 0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 5.272 -1.834 -0.157) 5.584 0.824 ( 5.272 1.834 -0.157) 5.584 1.275 ( 3.270 -1.297 0.249) 3.526 1.275 ( 3.270 1.297 0.249) 3.526 1.411 ( 2.069 -1.993 0.999) 3.041 1.411 ( 2.069 1.993 0.999) 3.041 1.608 ( -3.647 -2.306 5.726) 7.170 1.608 ( -3.647 2.306 5.726) 7.170 1.761 ( -2.511 -1.903 -2.637) 4.108 1.761 ( -2.511 1.903 -2.637) 4.108 1.913 ( -3.915 -2.801 2.831) 5.584 1.913 ( -3.915 2.801 2.831) 5.584 2.048 ( -2.428 -4.499 3.683) 6.301 2.048 ( -2.428 4.499 3.683) 6.301 2.170 ( -4.290 -1.520 -2.021) 4.980 2.170 ( -4.290 1.520 -2.021) 4.980 2.249 ( 2.487 -2.189 -2.935) 4.426 2.249 ( 2.487 2.189 -2.935) 4.426 2.383 ( 0.448 -2.914 3.856) 4.854 2.383 ( 0.448 2.914 3.856) 4.854 2.450 ( -0.600 -2.243 -2.178) 3.183 2.450 ( -0.600 2.243 -2.178) 3.183 2.619 ( 0.680 -2.665 -1.526) 3.146 2.619 ( 0.680 2.665 -1.526) 3.146 2.954 ( 4.571 -6.580 1.934) 8.242 2.954 ( 4.571 6.580 1.934) 8.242 3.037 ( 3.483 -5.648 -4.161) 7.832 3.037 ( 3.483 5.648 -4.161) 7.832 3.586 ( -1.047 -1.137 2.952) 3.332 3.586 ( -1.047 1.137 2.952) 3.332 3.709 ( -2.830 -1.494 0.265) 3.211 3.709 ( -2.830 1.494 0.265) 3.211 3.726 ( 1.467 -0.125 -0.057) 1.474 3.726 ( 1.467 0.125 -0.057) 1.474 3.819 ( -0.074 -0.878 0.172) 0.898 3.819 ( -0.074 0.878 0.172) 0.898 9.105 ( 1.213 -0.312 -0.106) 1.257 9.105 ( 1.213 0.312 -0.106) 1.257 9.270 ( -1.133 -0.494 1.294) 1.789 9.270 ( -1.133 0.494 1.294) 1.789 9.314 ( 0.926 -1.133 -1.193) 1.888 9.314 ( 0.926 1.133 -1.193) 1.888 9.501 ( -1.529 -0.175 -0.657) 1.673 9.501 ( -1.529 0.175 -0.657) 1.673 11.248 ( -1.037 -3.565 0.214) 3.719 11.248 ( -1.037 3.565 0.214) 3.719 11.270 ( -1.762 -3.391 -2.002) 4.314 11.270 ( -1.762 3.391 -2.002) 4.314 11.603 ( 2.172 -0.190 0.050) 2.181 11.603 ( 2.172 0.190 0.050) 2.181 11.859 ( -1.900 -0.649 1.022) 2.253 11.859 ( -1.900 0.649 1.022) 2.253 11.943 ( 4.311 -0.739 -0.030) 4.374 11.943 ( 4.311 0.739 -0.030) 4.374 12.273 ( -1.780 -0.116 0.116) 1.787 12.273 ( -1.780 0.116 0.116) 1.787 23.849 ( -0.067 -0.108 -0.002) 0.127 23.849 ( -0.067 0.108 -0.002) 0.127 23.855 ( -0.192 -0.098 -0.086) 0.232 23.855 ( -0.192 0.098 -0.086) 0.232 25.263 ( -0.242 -2.144 0.485) 2.211 25.263 ( -0.242 2.144 0.485) 2.211 25.314 ( -1.700 -2.310 -3.880) 4.825 25.314 ( -1.700 2.310 -3.880) 4.825 25.619 ( 5.532 -0.499 0.421) 5.570 25.619 ( 5.532 0.499 0.421) 5.570 26.123 ( 1.566 -1.313 4.623) 5.055 26.123 ( 1.566 1.313 4.623) 5.055 26.218 ( -2.448 -1.721 -3.391) 4.522 26.218 ( -2.448 1.721 -3.391) 4.522 26.551 ( -2.345 -1.466 0.793) 2.877 26.551 ( -2.345 1.466 0.793) 2.877 ======================= Grid point 221 (79/80) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 8.943 -2.594 2.193) 9.566 0.958 ( 8.943 2.594 2.193) 9.566 1.284 ( -3.964 -0.749 3.458) 5.313 1.284 ( -3.964 0.749 3.458) 5.313 1.499 ( 6.875 -1.129 -0.184) 6.970 1.499 ( 6.875 1.129 -0.184) 6.970 1.545 ( -0.909 -2.993 5.618) 6.430 1.545 ( -0.909 2.993 5.618) 6.430 1.679 ( -5.978 -2.445 -2.806) 7.042 1.679 ( -5.978 2.445 -2.806) 7.042 1.808 ( -7.100 -3.665 3.429) 8.695 1.808 ( -7.100 3.665 3.429) 8.695 2.027 ( 0.697 -3.724 1.370) 4.029 2.027 ( 0.697 3.724 1.370) 4.029 2.109 ( -2.480 -2.889 -2.899) 4.786 2.109 ( -2.480 2.889 -2.899) 4.786 2.302 ( 2.587 -1.522 -2.359) 3.817 2.302 ( 2.587 1.522 -2.359) 3.817 2.361 ( -1.301 -1.377 1.246) 2.268 2.361 ( -1.301 1.377 1.246) 2.268 2.478 ( 2.442 -1.894 -1.292) 3.350 2.478 ( 2.442 1.894 -1.292) 3.350 2.598 ( -2.609 -2.793 -1.567) 4.130 2.598 ( -2.609 2.793 -1.567) 4.130 3.049 ( 4.983 -6.143 2.498) 8.295 3.049 ( 4.983 6.143 2.498) 8.295 3.103 ( 2.781 -5.819 -2.609) 6.957 3.103 ( 2.781 5.819 -2.609) 6.957 3.569 ( -0.459 -1.839 2.432) 3.083 3.569 ( -0.460 1.839 2.432) 3.083 3.642 ( -3.882 -1.827 0.026) 4.290 3.642 ( -3.882 1.827 0.026) 4.290 3.762 ( 2.041 -0.997 0.286) 2.289 3.762 ( 2.041 0.997 0.286) 2.289 3.813 ( -0.591 -1.151 0.212) 1.311 3.813 ( -0.591 1.151 0.212) 1.311 9.136 ( 2.142 -0.341 -0.051) 2.170 9.136 ( 2.142 0.341 -0.051) 2.170 9.232 ( -2.626 -0.284 0.313) 2.660 9.232 ( -2.626 0.284 0.313) 2.660 9.349 ( 2.677 -0.251 -0.471) 2.730 9.349 ( 2.677 0.251 -0.471) 2.730 9.461 ( -2.712 -0.140 -0.595) 2.780 9.461 ( -2.712 0.140 -0.595) 2.780 11.227 ( -0.972 -3.425 -0.392) 3.582 11.227 ( -0.972 3.425 -0.392) 3.582 11.239 ( -1.447 -3.358 -1.367) 3.904 11.239 ( -1.447 3.358 -1.367) 3.904 11.659 ( 3.732 -0.292 0.342) 3.759 11.659 ( 3.732 0.292 0.342) 3.759 11.807 ( -3.531 -0.457 0.826) 3.655 11.807 ( -3.531 0.457 0.826) 3.655 12.041 ( 5.785 -0.273 0.054) 5.791 12.041 ( 5.785 0.273 0.054) 5.791 12.224 ( -3.551 -0.196 0.091) 3.557 12.224 ( -3.551 0.196 0.091) 3.557 23.848 ( -0.044 -0.183 -0.033) 0.191 23.848 ( -0.044 0.183 -0.033) 0.191 23.851 ( -0.215 -0.167 -0.090) 0.286 23.851 ( -0.215 0.167 -0.090) 0.286 25.260 ( 0.021 -2.203 -0.349) 2.230 25.260 ( 0.021 2.203 -0.349) 2.230 25.285 ( -1.351 -2.278 -2.887) 3.918 25.285 ( -1.351 2.278 -2.887) 3.918 25.747 ( 8.051 -0.699 0.609) 8.104 25.747 ( 8.051 0.699 0.609) 8.104 26.059 ( -7.324 -1.351 2.317) 7.799 26.059 ( -7.324 1.351 2.317) 7.799 26.260 ( 5.788 -1.857 -1.132) 6.183 26.260 ( 5.788 1.857 -1.132) 6.183 26.484 ( -4.826 -1.454 0.498) 5.065 26.484 ( -4.826 1.454 0.498) 5.065 ======================= Grid point 223 (80/80) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -9.780 -2.986 4.104) 11.019 1.139 ( -7.990 0.981 4.104) 9.036 1.139 ( 7.990 -0.981 4.104) 9.036 1.139 ( 9.781 2.986 4.104) 11.019 1.573 ( -4.394 -1.797 0.710) 4.800 1.573 ( -2.601 -0.309 0.710) 2.714 1.573 ( 2.601 0.310 0.710) 2.714 1.573 ( 4.394 1.797 0.710) 4.800 1.661 ( -6.157 -5.221 2.078) 8.335 1.661 ( -3.438 -4.554 2.078) 6.072 1.661 ( 3.438 4.554 2.078) 6.073 1.661 ( 6.157 5.221 2.078) 8.335 2.063 ( -2.588 -3.917 -1.240) 4.856 2.063 ( 2.588 -3.917 -1.240) 4.856 2.063 ( -2.588 3.917 -1.240) 4.856 2.063 ( 2.588 3.917 -1.240) 4.856 2.338 ( -1.191 -2.760 -1.153) 3.219 2.338 ( 0.822 -2.726 -1.153) 3.072 2.338 ( -0.822 2.726 -1.153) 3.072 2.338 ( 1.191 2.760 -1.153) 3.219 2.536 ( -2.330 -6.427 -1.268) 6.953 2.536 ( 0.704 -6.331 -1.268) 6.495 2.536 ( -0.704 6.331 -1.268) 6.495 2.536 ( 2.330 6.427 -1.268) 6.953 3.115 ( -1.655 -5.841 0.608) 6.102 3.115 ( 1.622 -5.839 0.608) 6.091 3.115 ( -1.622 5.839 0.608) 6.091 3.115 ( 1.655 5.841 0.608) 6.102 3.583 ( -1.652 -3.358 0.813) 3.830 3.583 ( 0.855 -3.283 0.813) 3.488 3.583 ( -0.855 3.283 0.813) 3.488 3.583 ( 1.652 3.358 0.813) 3.830 3.795 ( -1.310 -1.417 0.338) 1.959 3.795 ( 0.725 -1.308 0.338) 1.533 3.795 ( -0.725 1.308 0.338) 1.533 3.795 ( 1.310 1.417 0.338) 1.959 9.182 ( -1.756 -1.785 0.053) 2.505 9.182 ( -1.184 -1.663 0.053) 2.042 9.182 ( 1.184 1.663 0.053) 2.042 9.182 ( 1.756 1.785 0.053) 2.505 9.405 ( -3.175 -0.071 -0.490) 3.213 9.405 ( -3.173 0.043 -0.490) 3.211 9.405 ( 3.173 -0.043 -0.490) 3.211 9.405 ( 3.175 0.071 -0.490) 3.213 11.221 ( -0.291 -3.681 -0.878) 3.795 11.221 ( 0.277 -3.681 -0.878) 3.794 11.221 ( -0.277 3.681 -0.878) 3.794 11.221 ( 0.291 3.681 -0.878) 3.795 11.734 ( -3.224 -1.632 0.632) 3.668 11.734 ( -2.691 -1.370 0.632) 3.085 11.734 ( 2.691 1.370 0.632) 3.085 11.734 ( 3.224 1.632 0.632) 3.668 12.144 ( -4.759 -0.587 0.068) 4.795 12.144 ( -4.638 -0.244 0.068) 4.644 12.144 ( 4.638 0.244 0.068) 4.644 12.144 ( 4.759 0.587 0.068) 4.795 23.848 ( -0.062 -0.313 -0.071) 0.327 23.848 ( 0.049 -0.313 -0.071) 0.324 23.848 ( -0.049 0.313 -0.071) 0.324 23.848 ( 0.062 0.313 -0.071) 0.327 25.266 ( -0.678 -2.223 -1.604) 2.823 25.266 ( 0.676 -2.223 -1.604) 2.823 25.266 ( -0.676 2.223 -1.604) 2.823 25.266 ( 0.678 2.223 -1.604) 2.823 25.906 ( -7.957 -1.898 1.097) 8.254 25.906 ( -7.142 -0.725 1.097) 7.262 25.906 ( 7.142 0.725 1.097) 7.262 25.906 ( 7.957 1.898 1.097) 8.254 26.378 ( -3.687 -6.531 0.037) 7.499 26.378 ( -1.535 -6.312 0.037) 6.496 26.378 ( 1.535 6.312 0.037) 6.496 26.378 ( 3.687 6.531 0.037) 7.499 =================== 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 3/24192 10.0 2.827 4.539 3.883 0.000 0.000 0.000 3/24192 20.0 0.815 1.272 1.067 0.000 0.000 0.000 3/24192 30.0 0.480 0.735 0.596 0.000 0.000 0.000 3/24192 40.0 0.349 0.535 0.421 0.000 0.000 0.000 3/24192 50.0 0.279 0.429 0.330 0.000 0.000 0.000 3/24192 60.0 0.234 0.363 0.274 0.000 0.000 0.000 3/24192 70.0 0.204 0.316 0.235 0.000 0.000 0.000 3/24192 80.0 0.182 0.281 0.207 0.000 0.000 0.000 3/24192 90.0 0.166 0.254 0.186 0.000 0.000 0.000 3/24192 100.0 0.153 0.233 0.169 0.000 0.000 0.000 3/24192 110.0 0.144 0.215 0.155 0.000 0.000 0.000 3/24192 120.0 0.136 0.201 0.143 0.000 0.000 0.000 3/24192 130.0 0.129 0.188 0.134 0.000 0.000 0.000 3/24192 140.0 0.124 0.178 0.125 0.000 0.000 0.000 3/24192 150.0 0.119 0.168 0.119 0.000 0.000 0.000 3/24192 160.0 0.115 0.161 0.112 0.000 0.000 0.000 3/24192 170.0 0.112 0.154 0.107 0.000 0.000 0.000 3/24192 180.0 0.109 0.148 0.103 0.000 0.000 0.000 3/24192 190.0 0.106 0.143 0.099 0.000 0.000 0.000 3/24192 200.0 0.104 0.138 0.095 0.000 0.000 0.000 3/24192 210.0 0.102 0.134 0.092 0.000 0.000 0.000 3/24192 220.0 0.100 0.131 0.090 0.000 0.000 0.000 3/24192 230.0 0.098 0.127 0.087 0.000 0.000 0.000 3/24192 240.0 0.097 0.125 0.085 0.000 0.000 0.000 3/24192 250.0 0.096 0.122 0.083 0.000 0.000 0.000 3/24192 260.0 0.094 0.120 0.081 0.000 0.000 0.000 3/24192 270.0 0.093 0.117 0.079 0.000 0.000 0.000 3/24192 280.0 0.092 0.115 0.078 0.000 0.000 0.000 3/24192 290.0 0.091 0.114 0.076 0.000 0.000 0.000 3/24192 300.0 0.090 0.112 0.075 0.000 0.000 0.000 3/24192 310.0 0.089 0.110 0.074 0.000 0.000 0.000 3/24192 320.0 0.088 0.108 0.073 0.000 0.000 0.000 3/24192 330.0 0.087 0.107 0.071 0.000 0.000 0.000 3/24192 340.0 0.086 0.105 0.070 0.000 0.000 0.000 3/24192 350.0 0.085 0.104 0.069 0.000 0.000 0.000 3/24192 360.0 0.084 0.102 0.068 0.000 0.000 0.000 3/24192 370.0 0.083 0.101 0.067 0.000 0.000 0.000 3/24192 380.0 0.082 0.100 0.066 0.000 0.000 0.000 3/24192 390.0 0.081 0.098 0.065 0.000 0.000 0.000 3/24192 400.0 0.081 0.097 0.065 0.000 0.000 0.000 3/24192 410.0 0.080 0.096 0.064 0.000 0.000 0.000 3/24192 420.0 0.079 0.095 0.063 0.000 0.000 0.000 3/24192 430.0 0.078 0.094 0.062 0.000 0.000 0.000 3/24192 440.0 0.077 0.092 0.061 0.000 0.000 0.000 3/24192 450.0 0.076 0.091 0.060 0.000 0.000 0.000 3/24192 460.0 0.075 0.090 0.060 0.000 0.000 0.000 3/24192 470.0 0.075 0.089 0.059 0.000 0.000 0.000 3/24192 480.0 0.074 0.088 0.058 0.000 0.000 0.000 3/24192 490.0 0.073 0.087 0.057 0.000 0.000 0.000 3/24192 500.0 0.072 0.086 0.057 0.000 0.000 0.000 3/24192 510.0 0.071 0.085 0.056 0.000 0.000 0.000 3/24192 520.0 0.071 0.084 0.055 0.000 0.000 0.000 3/24192 530.0 0.070 0.083 0.054 0.000 0.000 0.000 3/24192 540.0 0.069 0.082 0.054 0.000 0.000 0.000 3/24192 550.0 0.068 0.081 0.053 0.000 0.000 0.000 3/24192 560.0 0.067 0.080 0.052 0.000 0.000 0.000 3/24192 570.0 0.067 0.079 0.052 0.000 0.000 0.000 3/24192 580.0 0.066 0.078 0.051 0.000 0.000 0.000 3/24192 590.0 0.065 0.077 0.051 0.000 0.000 0.000 3/24192 600.0 0.065 0.076 0.050 0.000 0.000 0.000 3/24192 610.0 0.064 0.075 0.049 0.000 0.000 0.000 3/24192 620.0 0.063 0.075 0.049 0.000 0.000 0.000 3/24192 630.0 0.063 0.074 0.048 0.000 0.000 0.000 3/24192 640.0 0.062 0.073 0.048 0.000 0.000 0.000 3/24192 650.0 0.061 0.072 0.047 0.000 0.000 0.000 3/24192 660.0 0.061 0.071 0.047 0.000 0.000 0.000 3/24192 670.0 0.060 0.071 0.046 0.000 0.000 0.000 3/24192 680.0 0.059 0.070 0.046 0.000 0.000 0.000 3/24192 690.0 0.059 0.069 0.045 0.000 0.000 0.000 3/24192 700.0 0.058 0.068 0.045 0.000 0.000 0.000 3/24192 710.0 0.058 0.068 0.044 0.000 0.000 0.000 3/24192 720.0 0.057 0.067 0.044 0.000 0.000 0.000 3/24192 730.0 0.056 0.066 0.043 0.000 0.000 0.000 3/24192 740.0 0.056 0.066 0.043 0.000 0.000 0.000 3/24192 750.0 0.055 0.065 0.042 0.000 0.000 0.000 3/24192 760.0 0.055 0.064 0.042 0.000 0.000 0.000 3/24192 770.0 0.054 0.064 0.042 0.000 0.000 0.000 3/24192 780.0 0.054 0.063 0.041 0.000 0.000 0.000 3/24192 790.0 0.053 0.062 0.041 0.000 0.000 0.000 3/24192 800.0 0.053 0.062 0.040 0.000 0.000 0.000 3/24192 810.0 0.052 0.061 0.040 0.000 0.000 0.000 3/24192 820.0 0.052 0.060 0.039 0.000 0.000 0.000 3/24192 830.0 0.051 0.060 0.039 0.000 0.000 0.000 3/24192 840.0 0.051 0.059 0.039 0.000 0.000 0.000 3/24192 850.0 0.050 0.059 0.038 0.000 0.000 0.000 3/24192 860.0 0.050 0.058 0.038 0.000 0.000 0.000 3/24192 870.0 0.049 0.058 0.038 0.000 0.000 0.000 3/24192 880.0 0.049 0.057 0.037 0.000 0.000 0.000 3/24192 890.0 0.048 0.057 0.037 0.000 0.000 0.000 3/24192 900.0 0.048 0.056 0.037 0.000 0.000 0.000 3/24192 910.0 0.047 0.056 0.036 0.000 0.000 0.000 3/24192 920.0 0.047 0.055 0.036 0.000 0.000 0.000 3/24192 930.0 0.047 0.055 0.036 0.000 0.000 0.000 3/24192 940.0 0.046 0.054 0.035 0.000 0.000 0.000 3/24192 950.0 0.046 0.054 0.035 0.000 0.000 0.000 3/24192 960.0 0.045 0.053 0.035 0.000 0.000 0.000 3/24192 970.0 0.045 0.053 0.034 0.000 0.000 0.000 3/24192 980.0 0.045 0.052 0.034 0.000 0.000 0.000 3/24192 990.0 0.044 0.052 0.034 0.000 0.000 0.000 3/24192 1000.0 0.044 0.051 0.033 0.000 0.000 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m687.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:24:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|