----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:47:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.104514576065746 0.000000000000000 0.000000000000000 b 0.000000000000000 4.906705229999998 0.000000000000000 c -5.565787005672674 0.000000000000000 10.559402255682679 Atomic positions (fractional): *1 Cl 0.91007962561128 0.89010858071466 0.62196777191860 35.453 2 Cl 0.08992037438872 0.39010858071465 0.87803222808140 35.453 3 Cl 0.08992037438872 0.10989141928534 0.37803222808140 35.453 4 Cl 0.91007962561128 0.60989141928534 0.12196777191860 35.453 *5 Cu 0.17228381287138 0.13946700142260 0.74845308593287 63.546 6 Cu 0.82771618712862 0.63946700142261 0.75154691406713 63.546 7 Cu 0.82771618712862 0.86053299857739 0.25154691406713 63.546 8 Cu 0.17228381287138 0.36053299857740 0.24845308593287 63.546 *9 Te 0.41999219420589 0.78715865485977 0.86295096893621 127.600 10 Te 0.58000780579411 0.28715865485977 0.63704903106379 127.600 11 Te 0.58000780579411 0.21284134514023 0.13704903106379 127.600 12 Te 0.41999219420589 0.71284134514023 0.36295096893621 127.600 *13 Te 0.73913762882003 0.98882938812453 0.86770985216561 127.600 14 Te 0.26086237117996 0.48882938812453 0.63229014783439 127.600 15 Te 0.26086237117996 0.01117061187547 0.13229014783439 127.600 16 Te 0.73913762882003 0.51117061187547 0.36770985216561 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.104514576065746 0.000000000000000 0.000000000000000 b 0.000000000000000 4.906705229999998 0.000000000000000 c -5.565787005672674 0.000000000000000 10.559402255682679 Atomic positions (fractional): *1 Cl 0.91007962561128 0.89010858071466 0.62196777191860 35.453 > 1 2 Cl 0.08992037438872 0.39010858071465 0.87803222808140 35.453 > 2 3 Cl 0.08992037438872 0.10989141928535 0.37803222808140 35.453 > 3 4 Cl 0.91007962561128 0.60989141928534 0.12196777191860 35.453 > 4 *5 Cu 0.17228381287138 0.13946700142261 0.74845308593287 63.546 > 5 6 Cu 0.82771618712862 0.63946700142261 0.75154691406713 63.546 > 6 7 Cu 0.82771618712862 0.86053299857739 0.25154691406713 63.546 > 7 8 Cu 0.17228381287138 0.36053299857740 0.24845308593287 63.546 > 8 *9 Te 0.41999219420589 0.78715865485977 0.86295096893621 127.600 > 9 10 Te 0.58000780579411 0.28715865485977 0.63704903106379 127.600 > 10 11 Te 0.58000780579411 0.21284134514023 0.13704903106379 127.600 > 11 12 Te 0.41999219420589 0.71284134514023 0.36295096893621 127.600 > 12 *13 Te 0.73913762882003 0.98882938812453 0.86770985216561 127.600 > 13 14 Te 0.26086237117996 0.48882938812453 0.63229014783439 127.600 > 14 15 Te 0.26086237117996 0.01117061187547 0.13229014783439 127.600 > 15 16 Te 0.73913762882003 0.51117061187547 0.36770985216561 127.600 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.209029152131492 0.000000000000000 0.000000000000000 b 0.000000000000000 14.720115689999995 0.000000000000000 c -5.565787005672674 0.000000000000000 10.559402255682679 Atomic positions (fractional): *1 Cl 0.45503981280564 0.29670286023822 0.62196777191860 35.453 > 1 2 Cl 0.95503981280564 0.29670286023822 0.62196777191860 35.453 > 1 3 Cl 0.45503981280564 0.63003619357155 0.62196777191860 35.453 > 1 4 Cl 0.95503981280564 0.63003619357155 0.62196777191860 35.453 > 1 5 Cl 0.45503981280564 0.96336952690488 0.62196777191860 35.453 > 1 6 Cl 0.95503981280564 0.96336952690488 0.62196777191860 35.453 > 1 7 Cl 0.04496018719436 0.13003619357155 0.87803222808140 35.453 > 2 8 Cl 0.54496018719436 0.13003619357155 0.87803222808140 35.453 > 2 9 Cl 0.04496018719436 0.46336952690488 0.87803222808140 35.453 > 2 10 Cl 0.54496018719436 0.46336952690488 0.87803222808140 35.453 > 2 11 Cl 0.04496018719436 0.79670286023822 0.87803222808140 35.453 > 2 12 Cl 0.54496018719436 0.79670286023822 0.87803222808140 35.453 > 2 13 Cl 0.04496018719436 0.03663047309511 0.37803222808140 35.453 > 3 14 Cl 0.54496018719436 0.03663047309511 0.37803222808140 35.453 > 3 15 Cl 0.04496018719436 0.36996380642845 0.37803222808140 35.453 > 3 16 Cl 0.54496018719436 0.36996380642845 0.37803222808140 35.453 > 3 17 Cl 0.04496018719436 0.70329713976178 0.37803222808140 35.453 > 3 18 Cl 0.54496018719436 0.70329713976178 0.37803222808140 35.453 > 3 19 Cl 0.45503981280564 0.20329713976178 0.12196777191860 35.453 > 4 20 Cl 0.95503981280564 0.20329713976178 0.12196777191860 35.453 > 4 21 Cl 0.45503981280564 0.53663047309511 0.12196777191860 35.453 > 4 22 Cl 0.95503981280564 0.53663047309511 0.12196777191860 35.453 > 4 23 Cl 0.45503981280564 0.86996380642845 0.12196777191860 35.453 > 4 24 Cl 0.95503981280564 0.86996380642845 0.12196777191860 35.453 > 4 *25 Cu 0.08614190643569 0.04648900047420 0.74845308593287 63.546 > 5 26 Cu 0.58614190643569 0.04648900047420 0.74845308593287 63.546 > 5 27 Cu 0.08614190643569 0.37982233380753 0.74845308593287 63.546 > 5 28 Cu 0.58614190643569 0.37982233380753 0.74845308593287 63.546 > 5 29 Cu 0.08614190643569 0.71315566714087 0.74845308593287 63.546 > 5 30 Cu 0.58614190643569 0.71315566714087 0.74845308593287 63.546 > 5 31 Cu 0.41385809356431 0.21315566714087 0.75154691406713 63.546 > 6 32 Cu 0.91385809356431 0.21315566714087 0.75154691406713 63.546 > 6 33 Cu 0.41385809356431 0.54648900047420 0.75154691406713 63.546 > 6 34 Cu 0.91385809356431 0.54648900047420 0.75154691406713 63.546 > 6 35 Cu 0.41385809356431 0.87982233380753 0.75154691406713 63.546 > 6 36 Cu 0.91385809356431 0.87982233380753 0.75154691406713 63.546 > 6 37 Cu 0.41385809356431 0.28684433285913 0.25154691406713 63.546 > 7 38 Cu 0.91385809356431 0.28684433285913 0.25154691406713 63.546 > 7 39 Cu 0.41385809356431 0.62017766619246 0.25154691406713 63.546 > 7 40 Cu 0.91385809356431 0.62017766619246 0.25154691406713 63.546 > 7 41 Cu 0.41385809356431 0.95351099952580 0.25154691406713 63.546 > 7 42 Cu 0.91385809356431 0.95351099952580 0.25154691406713 63.546 > 7 43 Cu 0.08614190643569 0.12017766619247 0.24845308593287 63.546 > 8 44 Cu 0.58614190643569 0.12017766619247 0.24845308593287 63.546 > 8 45 Cu 0.08614190643569 0.45351099952580 0.24845308593287 63.546 > 8 46 Cu 0.58614190643569 0.45351099952580 0.24845308593287 63.546 > 8 47 Cu 0.08614190643569 0.78684433285913 0.24845308593287 63.546 > 8 48 Cu 0.58614190643569 0.78684433285913 0.24845308593287 63.546 > 8 *49 Te 0.20999609710295 0.26238621828659 0.86295096893621 127.600 > 9 50 Te 0.70999609710295 0.26238621828659 0.86295096893621 127.600 > 9 51 Te 0.20999609710295 0.59571955161992 0.86295096893621 127.600 > 9 52 Te 0.70999609710295 0.59571955161992 0.86295096893621 127.600 > 9 53 Te 0.20999609710295 0.92905288495326 0.86295096893621 127.600 > 9 54 Te 0.70999609710295 0.92905288495326 0.86295096893621 127.600 > 9 55 Te 0.29000390289705 0.09571955161992 0.63704903106379 127.600 > 10 56 Te 0.79000390289705 0.09571955161992 0.63704903106379 127.600 > 10 57 Te 0.29000390289705 0.42905288495326 0.63704903106379 127.600 > 10 58 Te 0.79000390289705 0.42905288495326 0.63704903106379 127.600 > 10 59 Te 0.29000390289705 0.76238621828659 0.63704903106379 127.600 > 10 60 Te 0.79000390289705 0.76238621828659 0.63704903106379 127.600 > 10 61 Te 0.29000390289705 0.07094711504674 0.13704903106379 127.600 > 11 62 Te 0.79000390289705 0.07094711504674 0.13704903106379 127.600 > 11 63 Te 0.29000390289705 0.40428044838008 0.13704903106379 127.600 > 11 64 Te 0.79000390289705 0.40428044838008 0.13704903106379 127.600 > 11 65 Te 0.29000390289705 0.73761378171341 0.13704903106379 127.600 > 11 66 Te 0.79000390289705 0.73761378171341 0.13704903106379 127.600 > 11 67 Te 0.20999609710295 0.23761378171341 0.36295096893621 127.600 > 12 68 Te 0.70999609710295 0.23761378171341 0.36295096893621 127.600 > 12 69 Te 0.20999609710295 0.57094711504674 0.36295096893621 127.600 > 12 70 Te 0.70999609710295 0.57094711504674 0.36295096893621 127.600 > 12 71 Te 0.20999609710295 0.90428044838008 0.36295096893621 127.600 > 12 72 Te 0.70999609710295 0.90428044838008 0.36295096893621 127.600 > 12 *73 Te 0.36956881441002 0.32960979604151 0.86770985216561 127.600 > 13 74 Te 0.86956881441002 0.32960979604151 0.86770985216561 127.600 > 13 75 Te 0.36956881441002 0.66294312937484 0.86770985216561 127.600 > 13 76 Te 0.86956881441002 0.66294312937484 0.86770985216561 127.600 > 13 77 Te 0.36956881441002 0.99627646270818 0.86770985216561 127.600 > 13 78 Te 0.86956881441002 0.99627646270818 0.86770985216561 127.600 > 13 79 Te 0.13043118558998 0.16294312937484 0.63229014783439 127.600 > 14 80 Te 0.63043118558998 0.16294312937484 0.63229014783439 127.600 > 14 81 Te 0.13043118558998 0.49627646270818 0.63229014783439 127.600 > 14 82 Te 0.63043118558998 0.49627646270818 0.63229014783439 127.600 > 14 83 Te 0.13043118558998 0.82960979604151 0.63229014783439 127.600 > 14 84 Te 0.63043118558998 0.82960979604151 0.63229014783439 127.600 > 14 85 Te 0.13043118558998 0.00372353729182 0.13229014783439 127.600 > 15 86 Te 0.63043118558998 0.00372353729182 0.13229014783439 127.600 > 15 87 Te 0.13043118558998 0.33705687062516 0.13229014783439 127.600 > 15 88 Te 0.63043118558998 0.33705687062516 0.13229014783439 127.600 > 15 89 Te 0.13043118558998 0.67039020395849 0.13229014783439 127.600 > 15 90 Te 0.63043118558998 0.67039020395849 0.13229014783439 127.600 > 15 91 Te 0.36956881441002 0.17039020395849 0.36770985216561 127.600 > 16 92 Te 0.86956881441002 0.17039020395849 0.36770985216561 127.600 > 16 93 Te 0.36956881441002 0.50372353729182 0.36770985216561 127.600 > 16 94 Te 0.86956881441002 0.50372353729182 0.36770985216561 127.600 > 16 95 Te 0.36956881441002 0.83705687062516 0.36770985216561 127.600 > 16 96 Te 0.86956881441002 0.83705687062516 0.36770985216561 127.600 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.2375890 0.0000000 -1.3583492 0.0000000 12.3470236 0.0000000 -1.3583393 0.0000000 13.2303705 -------------------------- Born effective charges -------------------------- 1 Cl -2.2990861 0.2998618 -0.3175325 -0.0529720 -2.0055788 -0.5579754 -0.0482846 -0.5564117 -1.7099512 2 Cl -2.2990861 -0.2998618 -0.3175325 0.0529720 -2.0055788 0.5579754 -0.0482846 0.5564117 -1.7099512 3 Cl -2.2990861 0.2998618 -0.3175325 -0.0529720 -2.0055788 -0.5579754 -0.0482846 -0.5564117 -1.7099512 4 Cl -2.2990861 -0.2998618 -0.3175325 0.0529720 -2.0055788 0.5579754 -0.0482846 0.5564117 -1.7099512 5 Cu 1.1399720 0.1641015 0.0940839 0.1355247 0.5193597 0.6567449 -0.1564652 0.3265186 0.6236177 6 Cu 1.1399720 -0.1641015 0.0940839 -0.1355247 0.5193597 -0.6567449 -0.1564652 -0.3265186 0.6236177 7 Cu 1.1399720 0.1641015 0.0940839 0.1355247 0.5193597 0.6567449 -0.1564652 0.3265186 0.6236177 8 Cu 1.1399720 -0.1641015 0.0940839 -0.1355247 0.5193597 -0.6567449 -0.1564652 -0.3265186 0.6236177 9 Te 0.6377289 0.1227333 0.0715909 0.0772474 0.0923349 -0.1049067 -0.2243899 0.0562649 -0.1074294 10 Te 0.6377289 -0.1227333 0.0715909 -0.0772474 0.0923349 0.1049067 -0.2243899 -0.0562649 -0.1074294 11 Te 0.6377289 0.1227333 0.0715909 0.0772474 0.0923349 -0.1049067 -0.2243899 0.0562649 -0.1074294 12 Te 0.6377289 -0.1227333 0.0715909 -0.0772474 0.0923349 0.1049067 -0.2243899 -0.0562649 -0.1074294 13 Te 0.5213853 0.2299606 0.1518578 0.3496760 1.3938842 -0.7604902 0.4291397 -0.9680858 1.1937628 14 Te 0.5213853 -0.2299606 0.1518578 -0.3496760 1.3938842 0.7604902 0.4291397 0.9680858 1.1937628 15 Te 0.5213853 0.2299606 0.1518578 0.3496760 1.3938842 -0.7604902 0.4291397 -0.9680858 1.1937628 16 Te 0.5213853 -0.2299606 0.1518578 -0.3496760 1.3938842 0.7604902 0.4291397 0.9680858 1.1937628 ---------------------------------------------------------------------------- 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: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1824 Number of blocks in projector: 1824 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1824, 1789), data: False |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True |-- (384, 376), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.485 Solver_block: 200 / 480 - Time: 2.514 Solver_block: 300 / 480 - Time: 2.510 Solver_block: 400 / 480 - Time: 2.514 Solver_block: 480 / 480 - Time: 2.034 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.104 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1824 Number of blocks in projector: 1824 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1824, 1789), data: False |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True |-- (384, 376), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:48:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:48:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.104514576065746 0.000000000000000 0.000000000000000 b 0.000000000000000 4.906705229999998 0.000000000000000 c -5.565787005672674 0.000000000000000 10.559402255682679 Atomic positions (fractional): 1 Cl 0.91007962561128 0.89010858071466 0.62196777191860 35.453 2 Cl 0.08992037438872 0.39010858071465 0.87803222808140 35.453 3 Cl 0.08992037438872 0.10989141928534 0.37803222808140 35.453 4 Cl 0.91007962561128 0.60989141928534 0.12196777191860 35.453 5 Cu 0.17228381287138 0.13946700142260 0.74845308593287 63.546 6 Cu 0.82771618712862 0.63946700142261 0.75154691406713 63.546 7 Cu 0.82771618712862 0.86053299857739 0.25154691406713 63.546 8 Cu 0.17228381287138 0.36053299857740 0.24845308593287 63.546 9 Te 0.41999219420589 0.78715865485977 0.86295096893621 127.600 10 Te 0.58000780579411 0.28715865485977 0.63704903106379 127.600 11 Te 0.58000780579411 0.21284134514023 0.13704903106379 127.600 12 Te 0.41999219420589 0.71284134514023 0.36295096893621 127.600 13 Te 0.73913762882003 0.98882938812453 0.86770985216561 127.600 14 Te 0.26086237117996 0.48882938812453 0.63229014783439 127.600 15 Te 0.26086237117996 0.01117061187547 0.13229014783439 127.600 16 Te 0.73913762882003 0.51117061187547 0.36770985216561 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.209029152131492 0.000000000000000 0.000000000000000 b 0.000000000000000 14.720115689999995 0.000000000000000 c -5.565787005672674 0.000000000000000 10.559402255682679 Atomic positions (fractional): 1 Cl 0.45503981280564 0.29670286023822 0.62196777191860 35.453 > 1 2 Cl 0.95503981280564 0.29670286023822 0.62196777191860 35.453 > 1 3 Cl 0.45503981280564 0.63003619357155 0.62196777191860 35.453 > 1 4 Cl 0.95503981280564 0.63003619357155 0.62196777191860 35.453 > 1 5 Cl 0.45503981280564 0.96336952690488 0.62196777191860 35.453 > 1 6 Cl 0.95503981280564 0.96336952690488 0.62196777191860 35.453 > 1 7 Cl 0.04496018719436 0.13003619357155 0.87803222808140 35.453 > 7 8 Cl 0.54496018719436 0.13003619357155 0.87803222808140 35.453 > 7 9 Cl 0.04496018719436 0.46336952690488 0.87803222808140 35.453 > 7 10 Cl 0.54496018719436 0.46336952690488 0.87803222808140 35.453 > 7 11 Cl 0.04496018719436 0.79670286023822 0.87803222808140 35.453 > 7 12 Cl 0.54496018719436 0.79670286023822 0.87803222808140 35.453 > 7 13 Cl 0.04496018719436 0.03663047309511 0.37803222808140 35.453 > 13 14 Cl 0.54496018719436 0.03663047309511 0.37803222808140 35.453 > 13 15 Cl 0.04496018719436 0.36996380642845 0.37803222808140 35.453 > 13 16 Cl 0.54496018719436 0.36996380642845 0.37803222808140 35.453 > 13 17 Cl 0.04496018719436 0.70329713976178 0.37803222808140 35.453 > 13 18 Cl 0.54496018719436 0.70329713976178 0.37803222808140 35.453 > 13 19 Cl 0.45503981280564 0.20329713976178 0.12196777191860 35.453 > 19 20 Cl 0.95503981280564 0.20329713976178 0.12196777191860 35.453 > 19 21 Cl 0.45503981280564 0.53663047309511 0.12196777191860 35.453 > 19 22 Cl 0.95503981280564 0.53663047309511 0.12196777191860 35.453 > 19 23 Cl 0.45503981280564 0.86996380642845 0.12196777191860 35.453 > 19 24 Cl 0.95503981280564 0.86996380642845 0.12196777191860 35.453 > 19 25 Cu 0.08614190643569 0.04648900047420 0.74845308593287 63.546 > 25 26 Cu 0.58614190643569 0.04648900047420 0.74845308593287 63.546 > 25 27 Cu 0.08614190643569 0.37982233380753 0.74845308593287 63.546 > 25 28 Cu 0.58614190643569 0.37982233380753 0.74845308593287 63.546 > 25 29 Cu 0.08614190643569 0.71315566714087 0.74845308593287 63.546 > 25 30 Cu 0.58614190643569 0.71315566714087 0.74845308593287 63.546 > 25 31 Cu 0.41385809356431 0.21315566714087 0.75154691406713 63.546 > 31 32 Cu 0.91385809356431 0.21315566714087 0.75154691406713 63.546 > 31 33 Cu 0.41385809356431 0.54648900047420 0.75154691406713 63.546 > 31 34 Cu 0.91385809356431 0.54648900047420 0.75154691406713 63.546 > 31 35 Cu 0.41385809356431 0.87982233380753 0.75154691406713 63.546 > 31 36 Cu 0.91385809356431 0.87982233380753 0.75154691406713 63.546 > 31 37 Cu 0.41385809356431 0.28684433285913 0.25154691406713 63.546 > 37 38 Cu 0.91385809356431 0.28684433285913 0.25154691406713 63.546 > 37 39 Cu 0.41385809356431 0.62017766619246 0.25154691406713 63.546 > 37 40 Cu 0.91385809356431 0.62017766619246 0.25154691406713 63.546 > 37 41 Cu 0.41385809356431 0.95351099952580 0.25154691406713 63.546 > 37 42 Cu 0.91385809356431 0.95351099952580 0.25154691406713 63.546 > 37 43 Cu 0.08614190643569 0.12017766619247 0.24845308593287 63.546 > 43 44 Cu 0.58614190643569 0.12017766619247 0.24845308593287 63.546 > 43 45 Cu 0.08614190643569 0.45351099952580 0.24845308593287 63.546 > 43 46 Cu 0.58614190643569 0.45351099952580 0.24845308593287 63.546 > 43 47 Cu 0.08614190643569 0.78684433285913 0.24845308593287 63.546 > 43 48 Cu 0.58614190643569 0.78684433285913 0.24845308593287 63.546 > 43 49 Te 0.20999609710295 0.26238621828659 0.86295096893621 127.600 > 49 50 Te 0.70999609710295 0.26238621828659 0.86295096893621 127.600 > 49 51 Te 0.20999609710295 0.59571955161992 0.86295096893621 127.600 > 49 52 Te 0.70999609710295 0.59571955161992 0.86295096893621 127.600 > 49 53 Te 0.20999609710295 0.92905288495326 0.86295096893621 127.600 > 49 54 Te 0.70999609710295 0.92905288495326 0.86295096893621 127.600 > 49 55 Te 0.29000390289705 0.09571955161992 0.63704903106379 127.600 > 55 56 Te 0.79000390289705 0.09571955161992 0.63704903106379 127.600 > 55 57 Te 0.29000390289705 0.42905288495326 0.63704903106379 127.600 > 55 58 Te 0.79000390289705 0.42905288495326 0.63704903106379 127.600 > 55 59 Te 0.29000390289705 0.76238621828659 0.63704903106379 127.600 > 55 60 Te 0.79000390289705 0.76238621828659 0.63704903106379 127.600 > 55 61 Te 0.29000390289705 0.07094711504674 0.13704903106379 127.600 > 61 62 Te 0.79000390289705 0.07094711504674 0.13704903106379 127.600 > 61 63 Te 0.29000390289705 0.40428044838008 0.13704903106379 127.600 > 61 64 Te 0.79000390289705 0.40428044838008 0.13704903106379 127.600 > 61 65 Te 0.29000390289705 0.73761378171341 0.13704903106379 127.600 > 61 66 Te 0.79000390289705 0.73761378171341 0.13704903106379 127.600 > 61 67 Te 0.20999609710295 0.23761378171341 0.36295096893621 127.600 > 67 68 Te 0.70999609710295 0.23761378171341 0.36295096893621 127.600 > 67 69 Te 0.20999609710295 0.57094711504674 0.36295096893621 127.600 > 67 70 Te 0.70999609710295 0.57094711504674 0.36295096893621 127.600 > 67 71 Te 0.20999609710295 0.90428044838008 0.36295096893621 127.600 > 67 72 Te 0.70999609710295 0.90428044838008 0.36295096893621 127.600 > 67 73 Te 0.36956881441002 0.32960979604151 0.86770985216561 127.600 > 73 74 Te 0.86956881441002 0.32960979604151 0.86770985216561 127.600 > 73 75 Te 0.36956881441002 0.66294312937484 0.86770985216561 127.600 > 73 76 Te 0.86956881441002 0.66294312937484 0.86770985216561 127.600 > 73 77 Te 0.36956881441002 0.99627646270818 0.86770985216561 127.600 > 73 78 Te 0.86956881441002 0.99627646270818 0.86770985216561 127.600 > 73 79 Te 0.13043118558998 0.16294312937484 0.63229014783439 127.600 > 79 80 Te 0.63043118558998 0.16294312937484 0.63229014783439 127.600 > 79 81 Te 0.13043118558998 0.49627646270818 0.63229014783439 127.600 > 79 82 Te 0.63043118558998 0.49627646270818 0.63229014783439 127.600 > 79 83 Te 0.13043118558998 0.82960979604151 0.63229014783439 127.600 > 79 84 Te 0.63043118558998 0.82960979604151 0.63229014783439 127.600 > 79 85 Te 0.13043118558998 0.00372353729182 0.13229014783439 127.600 > 85 86 Te 0.63043118558998 0.00372353729182 0.13229014783439 127.600 > 85 87 Te 0.13043118558998 0.33705687062516 0.13229014783439 127.600 > 85 88 Te 0.63043118558998 0.33705687062516 0.13229014783439 127.600 > 85 89 Te 0.13043118558998 0.67039020395849 0.13229014783439 127.600 > 85 90 Te 0.63043118558998 0.67039020395849 0.13229014783439 127.600 > 85 91 Te 0.36956881441002 0.17039020395849 0.36770985216561 127.600 > 91 92 Te 0.86956881441002 0.17039020395849 0.36770985216561 127.600 > 91 93 Te 0.36956881441002 0.50372353729182 0.36770985216561 127.600 > 91 94 Te 0.86956881441002 0.50372353729182 0.36770985216561 127.600 > 91 95 Te 0.36956881441002 0.83705687062516 0.36770985216561 127.600 > 91 96 Te 0.86956881441002 0.83705687062516 0.36770985216561 127.600 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.2375890 0.0000000 -1.3583492 0.0000000 12.3470236 0.0000000 -1.3583393 0.0000000 13.2303705 -------------------------- Born effective charges -------------------------- 1 Cl -2.2990861 0.2998618 -0.3175325 -0.0529720 -2.0055788 -0.5579754 -0.0482846 -0.5564117 -1.7099512 2 Cl -2.2990861 -0.2998618 -0.3175325 0.0529720 -2.0055788 0.5579754 -0.0482846 0.5564117 -1.7099512 3 Cl -2.2990861 0.2998618 -0.3175325 -0.0529720 -2.0055788 -0.5579754 -0.0482846 -0.5564117 -1.7099512 4 Cl -2.2990861 -0.2998618 -0.3175325 0.0529720 -2.0055788 0.5579754 -0.0482846 0.5564117 -1.7099512 5 Cu 1.1399720 0.1641015 0.0940839 0.1355247 0.5193597 0.6567449 -0.1564652 0.3265186 0.6236177 6 Cu 1.1399720 -0.1641015 0.0940839 -0.1355247 0.5193597 -0.6567449 -0.1564652 -0.3265186 0.6236177 7 Cu 1.1399720 0.1641015 0.0940839 0.1355247 0.5193597 0.6567449 -0.1564652 0.3265186 0.6236177 8 Cu 1.1399720 -0.1641015 0.0940839 -0.1355247 0.5193597 -0.6567449 -0.1564652 -0.3265186 0.6236177 9 Te 0.6377289 0.1227333 0.0715909 0.0772474 0.0923349 -0.1049067 -0.2243899 0.0562649 -0.1074294 10 Te 0.6377289 -0.1227333 0.0715909 -0.0772474 0.0923349 0.1049067 -0.2243899 -0.0562649 -0.1074294 11 Te 0.6377289 0.1227333 0.0715909 0.0772474 0.0923349 -0.1049067 -0.2243899 0.0562649 -0.1074294 12 Te 0.6377289 -0.1227333 0.0715909 -0.0772474 0.0923349 0.1049067 -0.2243899 -0.0562649 -0.1074294 13 Te 0.5213853 0.2299606 0.1518578 0.3496760 1.3938842 -0.7604902 0.4291397 -0.9680858 1.1937628 14 Te 0.5213853 -0.2299606 0.1518578 -0.3496760 1.3938842 0.7604902 0.4291397 0.9680858 1.1937628 15 Te 0.5213853 0.2299606 0.1518578 0.3496760 1.3938842 -0.7604902 0.4291397 -0.9680858 1.1937628 16 Te 0.5213853 -0.2299606 0.1518578 -0.3496760 1.3938842 0.7604902 0.4291397 0.9680858 1.1937628 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 25, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 73, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 08:48:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:48:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.104514576065746 0.000000000000000 0.000000000000000 b 0.000000000000000 4.906705229999998 0.000000000000000 c -5.565787005672674 0.000000000000000 10.559402255682679 Atomic positions (fractional): 1 Cl 0.91007962561128 0.89010858071466 0.62196777191860 35.453 2 Cl 0.08992037438872 0.39010858071465 0.87803222808140 35.453 3 Cl 0.08992037438872 0.10989141928534 0.37803222808140 35.453 4 Cl 0.91007962561128 0.60989141928534 0.12196777191860 35.453 5 Cu 0.17228381287138 0.13946700142260 0.74845308593287 63.546 6 Cu 0.82771618712862 0.63946700142261 0.75154691406713 63.546 7 Cu 0.82771618712862 0.86053299857739 0.25154691406713 63.546 8 Cu 0.17228381287138 0.36053299857740 0.24845308593287 63.546 9 Te 0.41999219420589 0.78715865485977 0.86295096893621 127.600 10 Te 0.58000780579411 0.28715865485977 0.63704903106379 127.600 11 Te 0.58000780579411 0.21284134514023 0.13704903106379 127.600 12 Te 0.41999219420589 0.71284134514023 0.36295096893621 127.600 13 Te 0.73913762882003 0.98882938812453 0.86770985216561 127.600 14 Te 0.26086237117996 0.48882938812453 0.63229014783439 127.600 15 Te 0.26086237117996 0.01117061187547 0.13229014783439 127.600 16 Te 0.73913762882003 0.51117061187547 0.36770985216561 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.209029152131492 0.000000000000000 0.000000000000000 b 0.000000000000000 14.720115689999995 0.000000000000000 c -5.565787005672674 0.000000000000000 10.559402255682679 Atomic positions (fractional): 1 Cl 0.45503981280564 0.29670286023822 0.62196777191860 35.453 > 1 2 Cl 0.95503981280564 0.29670286023822 0.62196777191860 35.453 > 1 3 Cl 0.45503981280564 0.63003619357155 0.62196777191860 35.453 > 1 4 Cl 0.95503981280564 0.63003619357155 0.62196777191860 35.453 > 1 5 Cl 0.45503981280564 0.96336952690488 0.62196777191860 35.453 > 1 6 Cl 0.95503981280564 0.96336952690488 0.62196777191860 35.453 > 1 7 Cl 0.04496018719436 0.13003619357155 0.87803222808140 35.453 > 7 8 Cl 0.54496018719436 0.13003619357155 0.87803222808140 35.453 > 7 9 Cl 0.04496018719436 0.46336952690488 0.87803222808140 35.453 > 7 10 Cl 0.54496018719436 0.46336952690488 0.87803222808140 35.453 > 7 11 Cl 0.04496018719436 0.79670286023822 0.87803222808140 35.453 > 7 12 Cl 0.54496018719436 0.79670286023822 0.87803222808140 35.453 > 7 13 Cl 0.04496018719436 0.03663047309511 0.37803222808140 35.453 > 13 14 Cl 0.54496018719436 0.03663047309511 0.37803222808140 35.453 > 13 15 Cl 0.04496018719436 0.36996380642845 0.37803222808140 35.453 > 13 16 Cl 0.54496018719436 0.36996380642845 0.37803222808140 35.453 > 13 17 Cl 0.04496018719436 0.70329713976178 0.37803222808140 35.453 > 13 18 Cl 0.54496018719436 0.70329713976178 0.37803222808140 35.453 > 13 19 Cl 0.45503981280564 0.20329713976178 0.12196777191860 35.453 > 19 20 Cl 0.95503981280564 0.20329713976178 0.12196777191860 35.453 > 19 21 Cl 0.45503981280564 0.53663047309511 0.12196777191860 35.453 > 19 22 Cl 0.95503981280564 0.53663047309511 0.12196777191860 35.453 > 19 23 Cl 0.45503981280564 0.86996380642845 0.12196777191860 35.453 > 19 24 Cl 0.95503981280564 0.86996380642845 0.12196777191860 35.453 > 19 25 Cu 0.08614190643569 0.04648900047420 0.74845308593287 63.546 > 25 26 Cu 0.58614190643569 0.04648900047420 0.74845308593287 63.546 > 25 27 Cu 0.08614190643569 0.37982233380753 0.74845308593287 63.546 > 25 28 Cu 0.58614190643569 0.37982233380753 0.74845308593287 63.546 > 25 29 Cu 0.08614190643569 0.71315566714087 0.74845308593287 63.546 > 25 30 Cu 0.58614190643569 0.71315566714087 0.74845308593287 63.546 > 25 31 Cu 0.41385809356431 0.21315566714087 0.75154691406713 63.546 > 31 32 Cu 0.91385809356431 0.21315566714087 0.75154691406713 63.546 > 31 33 Cu 0.41385809356431 0.54648900047420 0.75154691406713 63.546 > 31 34 Cu 0.91385809356431 0.54648900047420 0.75154691406713 63.546 > 31 35 Cu 0.41385809356431 0.87982233380753 0.75154691406713 63.546 > 31 36 Cu 0.91385809356431 0.87982233380753 0.75154691406713 63.546 > 31 37 Cu 0.41385809356431 0.28684433285913 0.25154691406713 63.546 > 37 38 Cu 0.91385809356431 0.28684433285913 0.25154691406713 63.546 > 37 39 Cu 0.41385809356431 0.62017766619246 0.25154691406713 63.546 > 37 40 Cu 0.91385809356431 0.62017766619246 0.25154691406713 63.546 > 37 41 Cu 0.41385809356431 0.95351099952580 0.25154691406713 63.546 > 37 42 Cu 0.91385809356431 0.95351099952580 0.25154691406713 63.546 > 37 43 Cu 0.08614190643569 0.12017766619247 0.24845308593287 63.546 > 43 44 Cu 0.58614190643569 0.12017766619247 0.24845308593287 63.546 > 43 45 Cu 0.08614190643569 0.45351099952580 0.24845308593287 63.546 > 43 46 Cu 0.58614190643569 0.45351099952580 0.24845308593287 63.546 > 43 47 Cu 0.08614190643569 0.78684433285913 0.24845308593287 63.546 > 43 48 Cu 0.58614190643569 0.78684433285913 0.24845308593287 63.546 > 43 49 Te 0.20999609710295 0.26238621828659 0.86295096893621 127.600 > 49 50 Te 0.70999609710295 0.26238621828659 0.86295096893621 127.600 > 49 51 Te 0.20999609710295 0.59571955161992 0.86295096893621 127.600 > 49 52 Te 0.70999609710295 0.59571955161992 0.86295096893621 127.600 > 49 53 Te 0.20999609710295 0.92905288495326 0.86295096893621 127.600 > 49 54 Te 0.70999609710295 0.92905288495326 0.86295096893621 127.600 > 49 55 Te 0.29000390289705 0.09571955161992 0.63704903106379 127.600 > 55 56 Te 0.79000390289705 0.09571955161992 0.63704903106379 127.600 > 55 57 Te 0.29000390289705 0.42905288495326 0.63704903106379 127.600 > 55 58 Te 0.79000390289705 0.42905288495326 0.63704903106379 127.600 > 55 59 Te 0.29000390289705 0.76238621828659 0.63704903106379 127.600 > 55 60 Te 0.79000390289705 0.76238621828659 0.63704903106379 127.600 > 55 61 Te 0.29000390289705 0.07094711504674 0.13704903106379 127.600 > 61 62 Te 0.79000390289705 0.07094711504674 0.13704903106379 127.600 > 61 63 Te 0.29000390289705 0.40428044838008 0.13704903106379 127.600 > 61 64 Te 0.79000390289705 0.40428044838008 0.13704903106379 127.600 > 61 65 Te 0.29000390289705 0.73761378171341 0.13704903106379 127.600 > 61 66 Te 0.79000390289705 0.73761378171341 0.13704903106379 127.600 > 61 67 Te 0.20999609710295 0.23761378171341 0.36295096893621 127.600 > 67 68 Te 0.70999609710295 0.23761378171341 0.36295096893621 127.600 > 67 69 Te 0.20999609710295 0.57094711504674 0.36295096893621 127.600 > 67 70 Te 0.70999609710295 0.57094711504674 0.36295096893621 127.600 > 67 71 Te 0.20999609710295 0.90428044838008 0.36295096893621 127.600 > 67 72 Te 0.70999609710295 0.90428044838008 0.36295096893621 127.600 > 67 73 Te 0.36956881441002 0.32960979604151 0.86770985216561 127.600 > 73 74 Te 0.86956881441002 0.32960979604151 0.86770985216561 127.600 > 73 75 Te 0.36956881441002 0.66294312937484 0.86770985216561 127.600 > 73 76 Te 0.86956881441002 0.66294312937484 0.86770985216561 127.600 > 73 77 Te 0.36956881441002 0.99627646270818 0.86770985216561 127.600 > 73 78 Te 0.86956881441002 0.99627646270818 0.86770985216561 127.600 > 73 79 Te 0.13043118558998 0.16294312937484 0.63229014783439 127.600 > 79 80 Te 0.63043118558998 0.16294312937484 0.63229014783439 127.600 > 79 81 Te 0.13043118558998 0.49627646270818 0.63229014783439 127.600 > 79 82 Te 0.63043118558998 0.49627646270818 0.63229014783439 127.600 > 79 83 Te 0.13043118558998 0.82960979604151 0.63229014783439 127.600 > 79 84 Te 0.63043118558998 0.82960979604151 0.63229014783439 127.600 > 79 85 Te 0.13043118558998 0.00372353729182 0.13229014783439 127.600 > 85 86 Te 0.63043118558998 0.00372353729182 0.13229014783439 127.600 > 85 87 Te 0.13043118558998 0.33705687062516 0.13229014783439 127.600 > 85 88 Te 0.63043118558998 0.33705687062516 0.13229014783439 127.600 > 85 89 Te 0.13043118558998 0.67039020395849 0.13229014783439 127.600 > 85 90 Te 0.63043118558998 0.67039020395849 0.13229014783439 127.600 > 85 91 Te 0.36956881441002 0.17039020395849 0.36770985216561 127.600 > 91 92 Te 0.86956881441002 0.17039020395849 0.36770985216561 127.600 > 91 93 Te 0.36956881441002 0.50372353729182 0.36770985216561 127.600 > 91 94 Te 0.86956881441002 0.50372353729182 0.36770985216561 127.600 > 91 95 Te 0.36956881441002 0.83705687062516 0.36770985216561 127.600 > 91 96 Te 0.86956881441002 0.83705687062516 0.36770985216561 127.600 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.2375890 0.0000000 -1.3583492 0.0000000 12.3470236 0.0000000 -1.3583393 0.0000000 13.2303705 -------------------------- Born effective charges -------------------------- 1 Cl -2.2990861 0.2998618 -0.3175325 -0.0529720 -2.0055788 -0.5579754 -0.0482846 -0.5564117 -1.7099512 2 Cl -2.2990861 -0.2998618 -0.3175325 0.0529720 -2.0055788 0.5579754 -0.0482846 0.5564117 -1.7099512 3 Cl -2.2990861 0.2998618 -0.3175325 -0.0529720 -2.0055788 -0.5579754 -0.0482846 -0.5564117 -1.7099512 4 Cl -2.2990861 -0.2998618 -0.3175325 0.0529720 -2.0055788 0.5579754 -0.0482846 0.5564117 -1.7099512 5 Cu 1.1399720 0.1641015 0.0940839 0.1355247 0.5193597 0.6567449 -0.1564652 0.3265186 0.6236177 6 Cu 1.1399720 -0.1641015 0.0940839 -0.1355247 0.5193597 -0.6567449 -0.1564652 -0.3265186 0.6236177 7 Cu 1.1399720 0.1641015 0.0940839 0.1355247 0.5193597 0.6567449 -0.1564652 0.3265186 0.6236177 8 Cu 1.1399720 -0.1641015 0.0940839 -0.1355247 0.5193597 -0.6567449 -0.1564652 -0.3265186 0.6236177 9 Te 0.6377289 0.1227333 0.0715909 0.0772474 0.0923349 -0.1049067 -0.2243899 0.0562649 -0.1074294 10 Te 0.6377289 -0.1227333 0.0715909 -0.0772474 0.0923349 0.1049067 -0.2243899 -0.0562649 -0.1074294 11 Te 0.6377289 0.1227333 0.0715909 0.0772474 0.0923349 -0.1049067 -0.2243899 0.0562649 -0.1074294 12 Te 0.6377289 -0.1227333 0.0715909 -0.0772474 0.0923349 0.1049067 -0.2243899 -0.0562649 -0.1074294 13 Te 0.5213853 0.2299606 0.1518578 0.3496760 1.3938842 -0.7604902 0.4291397 -0.9680858 1.1937628 14 Te 0.5213853 -0.2299606 0.1518578 -0.3496760 1.3938842 0.7604902 0.4291397 0.9680858 1.1937628 15 Te 0.5213853 0.2299606 0.1518578 0.3496760 1.3938842 -0.7604902 0.4291397 -0.9680858 1.1937628 16 Te 0.5213853 -0.2299606 0.1518578 -0.3496760 1.3938842 0.7604902 0.4291397 0.9680858 1.1937628 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 299, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 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 0.743 ( 0.000 0.000 0.000) 0.000 0.831 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.759 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( 8.036 0.000 12.379) 14.758 0.386 ( 17.631 0.000 5.713) 18.534 0.600 ( 28.472 0.000 6.184) 29.135 0.873 ( 13.358 0.000 -1.671) 13.462 0.880 ( 6.013 0.000 -0.679) 6.051 1.305 ( -1.302 0.000 -1.605) 2.067 1.406 ( -5.603 0.000 0.010) 5.603 1.472 ( -7.009 0.000 2.197) 7.346 1.629 ( -4.754 0.000 1.977) 5.148 1.667 ( -2.748 0.000 -1.023) 2.932 1.811 ( 5.391 0.000 -1.009) 5.485 1.831 ( 0.156 0.000 -1.095) 1.106 1.942 ( 0.058 0.000 1.093) 1.095 2.016 ( 3.459 0.000 -0.861) 3.564 2.090 ( 6.633 0.000 -0.332) 6.641 2.125 ( 1.773 0.000 4.607) 4.936 2.398 ( -4.531 0.000 -1.335) 4.723 2.458 ( -4.577 0.000 0.369) 4.592 2.650 ( 2.867 0.000 0.816) 2.981 2.675 ( 0.290 0.000 0.626) 0.690 2.706 ( 0.918 0.000 -1.743) 1.970 2.741 ( 1.652 0.000 -2.050) 2.633 3.274 ( 4.788 0.000 1.614) 5.053 3.359 ( 9.043 0.000 -16.394) 18.722 3.896 ( 2.968 0.000 1.742) 3.441 4.078 ( -1.864 0.000 -2.750) 3.322 4.210 ( 1.195 0.000 2.210) 2.512 4.243 ( -0.812 0.000 -0.453) 0.929 4.523 ( -1.574 0.000 -0.438) 1.634 4.617 ( -2.155 0.000 0.105) 2.158 4.824 ( -0.261 0.000 0.319) 0.412 4.938 ( -1.450 0.000 1.471) 2.066 5.028 ( -0.499 0.000 -0.466) 0.683 5.047 ( -0.989 0.000 1.101) 1.480 5.075 ( -0.494 0.000 -0.015) 0.494 5.079 ( 0.694 0.000 0.061) 0.696 5.125 ( 0.342 0.000 -0.194) 0.393 5.162 ( 0.430 0.000 -0.005) 0.430 5.470 ( 0.367 0.000 0.526) 0.642 5.483 ( -0.965 0.000 -0.313) 1.015 5.996 ( -0.572 0.000 1.055) 1.200 6.028 ( -5.298 0.000 6.653) 8.505 6.468 ( -0.152 0.000 0.231) 0.277 6.497 ( -1.781 0.000 -1.215) 2.156 6.802 ( 0.540 0.000 -0.906) 1.055 6.832 ( 0.047 0.000 -1.250) 1.251 7.276 ( 1.166 0.000 -0.236) 1.190 7.405 ( 3.177 0.000 -2.528) 4.060 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 8.640 0.000 9.791) 13.058 0.709 ( 13.377 0.000 3.994) 13.960 0.946 ( 7.995 0.000 -1.930) 8.225 1.066 ( 8.170 0.000 -4.321) 9.243 1.126 ( 14.059 0.000 3.540) 14.497 1.270 ( -1.353 0.000 -1.890) 2.325 1.303 ( 0.158 0.000 -0.645) 0.664 1.386 ( -2.550 0.000 4.184) 4.900 1.540 ( -6.625 0.000 1.576) 6.810 1.601 ( -3.356 0.000 -0.781) 3.446 1.821 ( 0.419 0.000 -1.703) 1.754 1.883 ( 3.248 0.000 -1.045) 3.412 1.991 ( 3.345 0.000 0.761) 3.430 2.087 ( 1.825 0.000 2.448) 3.054 2.197 ( 2.717 0.000 2.213) 3.504 2.202 ( 5.789 0.000 -0.763) 5.839 2.291 ( -5.194 0.000 -0.606) 5.229 2.379 ( -2.663 0.000 -1.670) 3.143 2.691 ( 0.598 0.000 0.937) 1.112 2.707 ( 0.513 0.000 -0.737) 0.898 2.709 ( 2.591 0.000 0.376) 2.618 2.741 ( 1.050 0.000 -3.508) 3.662 3.359 ( 2.657 0.000 -5.776) 6.358 3.387 ( 5.003 0.000 2.168) 5.452 3.985 ( 4.335 0.000 2.735) 5.126 4.027 ( -0.859 0.000 -2.460) 2.606 4.215 ( -1.387 0.000 -1.326) 1.919 4.244 ( 0.472 0.000 1.810) 1.871 4.485 ( -1.925 0.000 -0.577) 2.009 4.575 ( -2.339 0.000 0.048) 2.339 4.822 ( -0.321 0.000 0.367) 0.488 4.920 ( -1.179 0.000 -0.027) 1.179 5.013 ( -0.654 0.000 -0.569) 0.867 5.044 ( -0.512 0.000 1.128) 1.238 5.061 ( -0.963 0.000 -0.075) 0.966 5.091 ( 0.358 0.000 0.370) 0.515 5.131 ( 0.459 0.000 -0.136) 0.479 5.173 ( 0.673 0.000 0.097) 0.680 5.457 ( -1.272 0.000 -0.754) 1.479 5.482 ( 0.379 0.000 0.564) 0.679 5.991 ( -3.259 0.000 2.168) 3.914 5.997 ( -0.574 0.000 1.581) 1.682 6.440 ( -2.582 0.000 -2.018) 3.277 6.466 ( -0.245 0.000 0.201) 0.316 6.806 ( 0.885 0.000 -1.017) 1.348 6.820 ( 0.089 0.000 -1.431) 1.434 7.299 ( 1.535 0.000 -0.189) 1.547 7.443 ( 2.220 0.000 -0.064) 2.221 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 7.997 0.000 5.822) 9.891 0.908 ( 5.388 0.000 1.562) 5.610 0.973 ( -4.334 0.000 -2.110) 4.820 1.089 ( 1.439 0.000 -3.478) 3.763 1.137 ( 1.121 0.000 -2.084) 2.367 1.208 ( -3.349 0.000 1.248) 3.574 1.429 ( -3.506 0.000 1.105) 3.676 1.444 ( 1.218 0.000 0.602) 1.359 1.552 ( 10.017 0.000 1.099) 10.077 1.573 ( 1.460 0.000 0.180) 1.471 1.817 ( 0.497 0.000 -0.773) 0.919 1.912 ( 0.928 0.000 -0.253) 0.962 2.026 ( -0.015 0.000 -0.154) 0.155 2.084 ( -3.513 0.000 2.150) 4.119 2.175 ( -2.464 0.000 -0.723) 2.567 2.244 ( 0.316 0.000 1.124) 1.167 2.322 ( 3.313 0.000 0.412) 3.339 2.367 ( 2.342 0.000 -1.581) 2.826 2.697 ( -0.966 0.000 -0.464) 1.072 2.705 ( 0.381 0.000 0.172) 0.418 2.729 ( 0.729 0.000 -1.459) 1.631 2.742 ( 0.748 0.000 0.326) 0.816 3.350 ( 0.394 0.000 -1.603) 1.650 3.464 ( 1.759 0.000 0.967) 2.007 4.005 ( 0.074 0.000 -0.990) 0.993 4.085 ( 3.775 0.000 2.798) 4.699 4.166 ( -2.407 0.000 -2.170) 3.241 4.261 ( 0.050 0.000 0.740) 0.741 4.454 ( -0.857 0.000 -0.271) 0.899 4.545 ( -0.951 0.000 -0.022) 0.951 4.820 ( -0.120 0.000 0.166) 0.205 4.902 ( -0.552 0.000 -0.150) 0.572 4.999 ( -0.362 0.000 -0.273) 0.453 5.047 ( -0.440 0.000 -0.033) 0.442 5.047 ( -0.068 0.000 0.457) 0.462 5.097 ( 0.056 0.000 0.186) 0.194 5.136 ( 0.170 0.000 -0.032) 0.172 5.184 ( 0.399 0.000 0.121) 0.417 5.432 ( -0.666 0.000 -0.425) 0.790 5.491 ( 0.141 0.000 0.218) 0.259 5.963 ( -1.191 0.000 0.549) 1.311 6.003 ( -0.177 0.000 0.855) 0.873 6.387 ( -1.264 0.000 -1.117) 1.686 6.464 ( -0.125 0.000 0.062) 0.139 6.811 ( 0.215 0.000 -0.523) 0.566 6.811 ( 0.263 0.000 -0.501) 0.566 7.319 ( 0.712 0.000 -0.047) 0.713 7.472 ( 0.851 0.000 0.167) 0.867 ======================= Grid point 7 (5/108) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( 0.000 14.545 0.000) 14.545 0.387 ( 0.000 18.465 0.000) 18.465 0.410 ( 0.000 19.390 0.000) 19.390 0.832 ( 0.000 7.934 0.000) 7.934 0.843 ( 0.000 1.133 0.000) 1.133 1.278 ( 0.000 -4.614 0.000) 4.614 1.460 ( 0.000 0.098 0.000) 0.098 1.534 ( 0.000 0.450 0.000) 0.450 1.674 ( 0.000 1.956 0.000) 1.956 1.710 ( 0.000 0.799 0.000) 0.799 1.831 ( 0.000 -0.242 0.000) 0.242 1.871 ( 0.000 -0.378 0.000) 0.378 1.952 ( 0.000 -3.037 0.000) 3.037 2.014 ( 0.000 1.452 0.000) 1.452 2.045 ( 0.000 -0.479 0.000) 0.479 2.195 ( 0.000 0.126 0.000) 0.126 2.452 ( 0.000 -0.019 0.000) 0.019 2.492 ( 0.000 2.230 0.000) 2.230 2.597 ( 0.000 -5.101 0.000) 5.101 2.660 ( 0.000 -3.509 0.000) 3.509 2.786 ( 0.000 3.605 0.000) 3.605 2.879 ( 0.000 3.230 0.000) 3.230 3.086 ( 0.000 0.076 0.000) 0.076 3.226 ( 0.000 0.568 0.000) 0.568 3.895 ( 0.000 3.408 0.000) 3.408 4.186 ( 0.000 0.761 0.000) 0.761 4.187 ( 0.000 0.978 0.000) 0.978 4.251 ( 0.000 -0.126 0.000) 0.126 4.524 ( 0.000 -1.608 0.000) 1.608 4.629 ( 0.000 -1.220 0.000) 1.220 4.805 ( 0.000 -1.686 0.000) 1.686 4.928 ( 0.000 -1.983 0.000) 1.983 5.000 ( 0.000 -0.047 0.000) 0.047 5.036 ( 0.000 -1.461 0.000) 1.461 5.079 ( 0.000 1.655 0.000) 1.655 5.089 ( 0.000 -2.315 0.000) 2.315 5.123 ( 0.000 2.126 0.000) 2.126 5.200 ( 0.000 2.307 0.000) 2.307 5.449 ( 0.000 -1.343 0.000) 1.343 5.469 ( 0.000 -1.633 0.000) 1.633 5.982 ( 0.000 0.971 0.000) 0.971 6.022 ( 0.000 2.233 0.000) 2.233 6.443 ( 0.000 -2.229 0.000) 2.229 6.486 ( 0.000 -3.097 0.000) 3.097 6.863 ( 0.000 2.183 0.000) 2.183 6.972 ( 0.000 1.791 0.000) 1.791 7.148 ( 0.000 -0.446 0.000) 0.446 7.254 ( 0.000 -1.108 0.000) 1.108 ======================= Grid point 8 (6/108) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 12.811 3.287 2.929) 13.547 0.416 ( 4.164 11.743 9.812) 15.860 0.789 ( 16.912 10.006 1.314) 19.694 0.852 ( 9.016 2.736 0.717) 9.450 0.966 ( 10.152 5.065 -1.397) 11.431 1.257 ( -1.382 -4.395 -0.941) 4.702 1.407 ( -5.278 0.355 -0.283) 5.298 1.476 ( -7.042 0.216 1.585) 7.221 1.651 ( -2.860 2.528 1.063) 3.962 1.684 ( -2.394 1.224 -0.621) 2.760 1.831 ( 0.316 -0.038 -0.952) 1.004 1.873 ( 1.030 1.112 -0.805) 1.716 1.953 ( 1.285 0.094 -0.200) 1.304 2.013 ( 1.979 0.775 -1.406) 2.549 2.090 ( 2.888 -2.044 1.920) 4.026 2.188 ( 3.158 4.186 -0.641) 5.283 2.409 ( -4.170 0.682 -0.907) 4.322 2.480 ( -3.049 1.561 0.162) 3.429 2.627 ( 1.630 -3.425 -0.454) 3.820 2.641 ( 0.353 -2.174 -0.210) 2.213 2.738 ( -2.656 3.447 -1.921) 4.756 2.770 ( -0.991 2.186 -1.122) 2.649 3.199 ( 5.549 -4.587 -1.575) 7.370 3.339 ( 8.170 -0.935 -1.927) 8.446 3.924 ( 2.338 2.766 1.501) 3.921 4.107 ( -2.495 2.036 -3.378) 4.667 4.229 ( 0.516 1.224 2.174) 2.548 4.242 ( -0.542 0.019 -0.400) 0.674 4.510 ( -1.295 -1.223 -0.263) 1.800 4.613 ( -1.565 -0.584 -0.076) 1.673 4.800 ( -0.674 -2.037 0.237) 2.159 4.919 ( -1.011 -2.390 0.025) 2.595 5.011 ( 0.113 -0.012 1.093) 1.099 5.042 ( 0.170 -1.023 0.133) 1.046 5.067 ( -0.099 0.155 -0.371) 0.414 5.098 ( 0.127 0.172 0.159) 0.267 5.129 ( 0.493 1.484 0.531) 1.652 5.191 ( -0.681 1.897 -0.336) 2.043 5.456 ( 0.457 -1.288 0.492) 1.453 5.466 ( -0.465 -1.529 -0.267) 1.620 5.995 ( -0.977 -0.004 2.650) 2.825 6.023 ( -1.309 1.272 1.677) 2.479 6.442 ( -0.118 -2.297 0.073) 2.301 6.464 ( -1.704 -2.907 -1.211) 3.581 6.862 ( 0.100 2.639 -1.070) 2.850 6.883 ( -2.733 4.967 -1.436) 5.848 7.262 ( 1.096 -1.393 -0.509) 1.844 7.288 ( 6.690 -6.183 1.478) 9.229 ======================= Grid point 9 (7/108) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 8.727 6.181 6.446) 12.487 0.656 ( 13.900 -2.176 6.326) 15.426 0.919 ( 7.588 -2.108 -2.891) 8.389 1.065 ( 4.463 -0.341 -4.342) 6.236 1.166 ( 8.783 2.527 1.058) 9.201 1.244 ( -0.513 -2.072 0.456) 2.183 1.298 ( -3.596 -0.292 -1.174) 3.794 1.356 ( -7.020 -1.775 2.991) 7.835 1.617 ( -0.665 5.790 0.778) 5.880 1.656 ( 1.251 5.284 0.510) 5.454 1.828 ( 0.694 0.684 -1.188) 1.537 1.896 ( 1.949 0.682 -0.581) 2.145 1.996 ( 2.388 0.187 0.205) 2.404 2.070 ( 3.654 -0.477 1.052) 3.833 2.150 ( 1.753 -3.551 1.463) 4.222 2.247 ( 1.472 1.378 -1.515) 2.523 2.338 ( -0.745 3.418 0.043) 3.499 2.387 ( -5.384 1.722 -1.278) 5.795 2.658 ( 1.377 -3.180 0.824) 3.562 2.660 ( 1.951 -3.306 -1.683) 4.192 2.719 ( 0.325 0.019 -0.435) 0.543 2.735 ( -1.224 -0.426 -1.924) 2.320 3.266 ( 3.019 -5.477 -0.832) 6.309 3.423 ( 3.335 0.164 -0.284) 3.351 3.995 ( 3.333 1.207 1.955) 4.048 4.054 ( -0.441 2.446 -1.950) 3.159 4.213 ( -1.456 -0.118 -1.195) 1.887 4.261 ( 0.406 1.401 1.764) 2.289 4.481 ( -1.452 -0.308 -0.321) 1.519 4.580 ( -1.837 0.312 -0.090) 1.866 4.788 ( -0.844 -2.816 0.068) 2.941 4.900 ( -1.017 -2.341 0.028) 2.553 5.014 ( -0.341 0.337 -0.209) 0.524 5.042 ( -0.122 0.363 0.846) 0.929 5.077 ( 0.777 0.049 0.046) 0.780 5.093 ( -0.421 1.128 0.044) 1.205 5.142 ( 0.016 0.904 0.210) 0.928 5.180 ( 0.016 0.699 0.041) 0.700 5.447 ( -0.938 -0.956 -0.686) 1.505 5.471 ( 0.520 -1.076 0.488) 1.291 5.991 ( -2.000 0.412 1.865) 2.766 6.009 ( -1.060 0.969 1.135) 1.830 6.408 ( -2.423 -2.860 -1.856) 4.182 6.443 ( -0.149 -2.028 0.155) 2.039 6.833 ( -0.487 2.991 -1.847) 3.549 6.871 ( 0.471 3.748 -0.252) 3.785 7.279 ( 1.290 -1.885 -0.418) 2.322 7.381 ( 3.207 -4.980 0.817) 5.980 ======================= Grid point 10 (8/108) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 7.762 4.906 4.456) 10.206 0.903 ( 7.250 -0.510 2.979) 7.855 0.976 ( -1.384 -0.126 -2.315) 2.700 1.065 ( 2.085 -2.165 -2.974) 4.228 1.135 ( -1.557 0.788 -2.651) 3.173 1.209 ( -3.311 -0.765 1.937) 3.912 1.258 ( -2.385 -8.241 0.017) 8.579 1.324 ( -2.089 -7.687 0.379) 7.974 1.657 ( 2.906 7.055 0.163) 7.632 1.767 ( 6.939 10.131 0.994) 12.320 1.835 ( 0.923 1.645 -0.476) 1.945 1.921 ( 1.216 0.763 -0.196) 1.449 2.006 ( -1.482 -0.984 0.291) 1.803 2.113 ( -1.183 1.881 1.448) 2.652 2.158 ( -1.149 -2.133 -0.011) 2.423 2.230 ( 0.448 -0.826 0.493) 1.061 2.301 ( -1.878 -1.294 -1.692) 2.839 2.391 ( 3.088 1.688 0.132) 3.522 2.647 ( -0.437 -4.497 -1.977) 4.932 2.697 ( 0.160 -2.748 1.425) 3.100 2.701 ( 0.097 -1.589 -0.203) 1.605 2.724 ( 0.299 -0.998 -0.885) 1.367 3.288 ( 0.562 -5.193 -0.561) 5.253 3.462 ( 0.980 -1.046 0.444) 1.501 4.024 ( 0.247 1.631 -0.654) 1.774 4.094 ( 3.295 1.048 2.215) 4.107 4.165 ( -2.361 0.071 -1.935) 3.053 4.277 ( 0.062 1.461 0.723) 1.632 4.459 ( -0.608 0.535 -0.139) 0.822 4.555 ( -0.791 0.841 -0.064) 1.157 4.775 ( -0.426 -3.525 -0.052) 3.551 4.888 ( -0.344 -1.890 0.079) 1.923 5.003 ( -0.320 0.465 -0.245) 0.615 5.053 ( 0.359 0.844 0.576) 1.083 5.074 ( -0.541 1.880 -0.238) 1.971 5.100 ( 0.581 0.323 0.249) 0.710 5.133 ( -0.562 -0.242 -0.231) 0.654 5.190 ( 0.429 0.617 0.305) 0.812 5.427 ( -0.535 -0.545 -0.410) 0.867 5.481 ( 0.206 -0.925 0.188) 0.966 5.971 ( -0.995 0.862 0.460) 1.394 6.008 ( -0.246 0.546 0.718) 0.935 6.359 ( -1.184 -2.488 -1.005) 2.933 6.442 ( -0.084 -1.994 0.073) 1.997 6.817 ( -0.069 2.211 -0.726) 2.328 6.877 ( 0.286 4.120 -0.124) 4.132 7.294 ( 0.589 -2.365 -0.149) 2.442 7.424 ( 1.057 -4.237 0.344) 4.380 ======================= Grid point 14 (9/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 13.174 0.000) 13.174 0.740 ( 0.000 15.848 0.000) 15.848 0.774 ( 0.000 15.871 0.000) 15.871 0.873 ( 0.000 1.718 0.000) 1.718 1.018 ( 0.000 8.853 0.000) 8.853 1.160 ( 0.000 -5.886 0.000) 5.886 1.452 ( 0.000 -1.096 0.000) 1.096 1.543 ( 0.000 0.126 0.000) 0.126 1.722 ( 0.000 1.158 0.000) 1.158 1.738 ( 0.000 3.517 0.000) 3.517 1.816 ( 0.000 -1.423 0.000) 1.423 1.850 ( 0.000 -1.255 0.000) 1.255 1.890 ( 0.000 -2.932 0.000) 2.932 2.029 ( 0.000 -0.582 0.000) 0.582 2.062 ( 0.000 3.156 0.000) 3.156 2.199 ( 0.000 0.151 0.000) 0.151 2.446 ( 0.000 -0.569 0.000) 0.569 2.491 ( 0.000 -4.746 0.000) 4.746 2.543 ( 0.000 2.378 0.000) 2.378 2.588 ( 0.000 -3.539 0.000) 3.539 2.862 ( 0.000 3.755 0.000) 3.755 2.943 ( 0.000 3.093 0.000) 3.093 3.088 ( 0.000 0.048 0.000) 0.048 3.237 ( 0.000 0.416 0.000) 0.416 3.993 ( 0.000 5.981 0.000) 5.981 4.211 ( 0.000 1.677 0.000) 1.677 4.216 ( 0.000 1.811 0.000) 1.811 4.246 ( 0.000 -0.327 0.000) 0.327 4.474 ( 0.000 -3.268 0.000) 3.268 4.595 ( 0.000 -2.093 0.000) 2.093 4.760 ( 0.000 -2.769 0.000) 2.769 4.846 ( 0.000 -5.244 0.000) 5.244 5.020 ( 0.000 -0.165 0.000) 0.165 5.032 ( 0.000 2.227 0.000) 2.227 5.047 ( 0.000 -1.547 0.000) 1.547 5.107 ( 0.000 1.186 0.000) 1.186 5.168 ( 0.000 2.144 0.000) 2.144 5.241 ( 0.000 1.675 0.000) 1.675 5.411 ( 0.000 -2.387 0.000) 2.387 5.424 ( 0.000 -2.628 0.000) 2.628 6.014 ( 0.000 2.159 0.000) 2.159 6.078 ( 0.000 3.012 0.000) 3.012 6.388 ( 0.000 -2.941 0.000) 2.941 6.410 ( 0.000 -4.051 0.000) 4.051 6.914 ( 0.000 2.578 0.000) 2.578 7.015 ( 0.000 2.293 0.000) 2.293 7.134 ( 0.000 -0.903 0.000) 0.903 7.224 ( 0.000 -1.820 0.000) 1.820 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -0.793 13.661 -3.117) 14.034 0.675 ( 0.503 12.838 7.451) 14.852 0.856 ( 0.934 2.025 -1.998) 2.994 1.032 ( 9.139 6.696 -0.496) 11.341 1.069 ( 7.932 5.204 -0.623) 9.507 1.157 ( -0.191 -3.688 1.114) 3.857 1.410 ( -4.770 -0.334 0.435) 4.802 1.479 ( -6.706 0.109 0.353) 6.716 1.715 ( 0.106 3.062 0.036) 3.064 1.738 ( 0.323 4.698 -0.024) 4.709 1.826 ( 0.921 -0.436 -0.358) 1.080 1.865 ( 1.212 -1.286 0.789) 1.935 1.921 ( 3.108 -3.231 -0.223) 4.489 2.031 ( 0.751 0.226 -0.549) 0.957 2.079 ( 1.913 1.923 -0.431) 2.746 2.217 ( 2.043 -0.570 -0.713) 2.238 2.410 ( -2.799 -0.841 -0.605) 2.985 2.491 ( -0.310 -1.341 0.822) 1.603 2.568 ( 0.423 -1.912 -0.372) 1.993 2.587 ( 1.477 -2.120 -0.961) 2.757 2.812 ( -5.861 2.831 -2.983) 7.160 2.825 ( -5.412 3.738 -0.582) 6.603 3.129 ( 1.674 -2.629 0.967) 3.263 3.315 ( 4.811 -1.602 1.750) 5.364 4.007 ( 1.266 5.250 0.460) 5.420 4.154 ( -1.705 2.571 -2.783) 4.155 4.238 ( -0.662 -0.047 -0.384) 0.767 4.261 ( 1.044 1.667 2.377) 3.085 4.472 ( -0.187 -2.482 0.146) 2.493 4.590 ( -0.427 -1.743 -0.290) 1.818 4.751 ( -1.075 -2.785 0.014) 2.986 4.839 ( -0.820 -5.026 0.122) 5.094 5.027 ( 0.241 0.423 0.065) 0.491 5.029 ( 0.711 0.050 -0.440) 0.838 5.069 ( 1.140 0.684 1.009) 1.669 5.106 ( 0.048 0.693 -0.035) 0.696 5.168 ( -0.331 1.932 0.627) 2.058 5.226 ( -1.318 1.464 -0.512) 2.036 5.420 ( 0.729 -2.231 0.350) 2.373 5.425 ( 0.164 -2.370 -0.256) 2.390 6.017 ( -0.527 1.921 1.276) 2.366 6.064 ( -1.499 2.495 0.110) 2.913 6.380 ( -1.036 -3.573 -0.618) 3.771 6.398 ( -0.640 -3.244 -0.214) 3.314 6.921 ( 0.524 2.912 0.111) 2.961 6.969 ( -2.512 3.544 -1.385) 4.560 7.196 ( 4.128 -3.144 1.088) 5.301 7.227 ( 0.656 -2.128 -0.277) 2.244 ======================= Grid point 16 (11/108) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 10.944 3.443 1.980) 11.643 0.791 ( 4.852 9.465 5.438) 11.946 0.889 ( 5.499 -0.432 -3.258) 6.406 1.043 ( 0.584 -1.755 -3.758) 4.188 1.166 ( -1.232 -1.777 1.811) 2.821 1.216 ( 2.080 -1.875 0.193) 2.807 1.304 ( -6.772 1.709 -0.379) 6.995 1.345 ( -8.295 0.844 0.759) 8.372 1.745 ( 2.755 6.359 -1.108) 7.018 1.785 ( 5.877 6.091 1.522) 8.600 1.843 ( 1.612 0.768 -0.377) 1.825 1.899 ( 1.669 -0.166 0.781) 1.850 1.975 ( 2.537 -3.294 0.109) 4.159 2.062 ( 2.626 -0.538 0.730) 2.778 2.105 ( 1.420 0.247 -0.899) 1.699 2.232 ( 0.436 -1.960 -1.141) 2.310 2.364 ( -3.049 -0.030 0.601) 3.108 2.461 ( -2.160 2.592 -1.998) 3.921 2.572 ( 0.140 -4.724 1.870) 5.082 2.590 ( -0.490 -2.795 -2.426) 3.733 2.710 ( -1.750 -0.494 -1.923) 2.647 2.735 ( -4.392 0.510 -0.341) 4.434 3.155 ( 0.107 -5.456 1.317) 5.614 3.383 ( 1.445 -3.882 0.992) 4.260 4.041 ( 1.685 3.338 0.567) 3.782 4.117 ( 0.149 3.429 -1.634) 3.802 4.216 ( -1.247 0.656 -0.639) 1.547 4.296 ( 0.631 1.951 1.761) 2.703 4.472 ( -0.022 -0.709 0.200) 0.737 4.577 ( -0.451 -0.798 -0.436) 1.015 4.725 ( -1.654 -3.173 -0.157) 3.582 4.827 ( -0.670 -4.571 0.412) 4.639 5.024 ( -0.137 0.560 -0.420) 0.713 5.048 ( 1.216 0.092 0.147) 1.229 5.090 ( 0.535 1.573 0.332) 1.694 5.114 ( 0.542 0.540 0.237) 0.801 5.162 ( -1.185 0.924 0.016) 1.503 5.201 ( -0.620 1.369 0.438) 1.565 5.420 ( -0.268 -1.722 -0.599) 1.843 5.440 ( 0.937 -1.951 0.323) 2.189 6.015 ( -1.191 1.894 1.126) 2.504 6.035 ( -1.448 1.603 0.342) 2.187 6.338 ( -2.058 -3.661 -1.422) 4.434 6.393 ( -0.248 -2.786 0.211) 2.805 6.908 ( -1.138 3.909 -1.517) 4.345 6.948 ( 0.516 3.512 0.519) 3.587 7.227 ( 0.753 -3.078 -0.920) 3.300 7.280 ( 2.995 -4.504 1.281) 5.558 ======================= Grid point 17 (12/108) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 11.019 -0.243 1.606) 11.138 0.925 ( 5.363 2.601 2.349) 6.407 0.962 ( 2.289 0.139 -0.469) 2.341 1.027 ( 1.497 -0.494 -2.465) 2.926 1.124 ( -4.074 -3.086 -0.076) 5.112 1.175 ( -3.048 -6.212 0.321) 6.927 1.185 ( -5.506 3.036 -1.411) 6.444 1.224 ( -5.400 1.366 0.875) 5.638 1.776 ( 1.358 3.994 -0.691) 4.275 1.873 ( 1.408 1.432 -0.038) 2.009 1.920 ( 4.696 4.435 0.279) 6.465 1.941 ( 3.584 1.059 0.063) 3.737 1.997 ( -0.770 -0.093 0.820) 1.128 2.093 ( -0.159 -3.033 0.274) 3.049 2.141 ( 3.009 0.832 0.533) 3.167 2.226 ( -0.165 0.311 0.650) 0.740 2.282 ( -4.756 -0.485 -1.729) 5.083 2.431 ( -0.141 2.043 0.282) 2.067 2.531 ( -2.223 -6.015 -2.454) 6.866 2.596 ( 0.496 -6.192 0.982) 6.288 2.671 ( -1.003 -1.700 -0.631) 2.072 2.704 ( -0.115 -1.134 0.178) 1.154 3.160 ( -0.301 -7.156 0.420) 7.175 3.398 ( -0.005 -5.398 0.408) 5.414 4.062 ( 0.456 2.166 -0.038) 2.214 4.132 ( 1.818 2.380 0.123) 2.997 4.184 ( -1.574 2.285 -0.592) 2.837 4.314 ( 0.193 2.142 0.670) 2.253 4.474 ( 0.063 0.752 0.095) 0.760 4.569 ( -0.148 0.235 -0.230) 0.361 4.699 ( -0.862 -3.783 -0.106) 3.881 4.823 ( -0.183 -4.355 0.268) 4.367 5.017 ( -0.198 0.824 -0.243) 0.882 5.070 ( 0.873 0.650 0.385) 1.155 5.099 ( 0.447 0.779 -0.274) 0.939 5.120 ( -0.017 1.201 0.001) 1.201 5.131 ( -1.342 0.264 -0.186) 1.381 5.211 ( 0.362 1.386 0.664) 1.579 5.408 ( -0.288 -1.386 -0.410) 1.474 5.455 ( 0.411 -1.620 0.127) 1.676 5.996 ( -0.894 1.498 0.119) 1.749 6.029 ( -0.259 1.537 0.538) 1.649 6.298 ( -1.012 -3.262 -0.738) 3.494 6.391 ( -0.111 -2.854 0.098) 2.857 6.883 ( -0.410 3.819 -0.634) 3.893 6.962 ( 0.364 3.936 0.261) 3.961 7.230 ( 0.295 -3.715 -0.381) 3.746 7.325 ( 1.093 -4.959 0.475) 5.101 ======================= Grid point 21 (13/108) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 9.852 0.000) 9.852 0.903 ( 0.000 0.846 0.000) 0.846 0.988 ( 0.000 -0.807 0.000) 0.807 1.017 ( 0.000 10.963 0.000) 10.963 1.073 ( 0.000 6.569 0.000) 6.569 1.207 ( 0.000 6.645 0.000) 6.645 1.411 ( 0.000 -2.810 0.000) 2.810 1.524 ( 0.000 -2.421 0.000) 2.421 1.742 ( 0.000 1.385 0.000) 1.385 1.777 ( 0.000 -1.670 0.000) 1.670 1.818 ( 0.000 0.800 0.000) 0.800 1.839 ( 0.000 0.105 0.000) 0.105 1.858 ( 0.000 3.057 0.000) 3.057 2.034 ( 0.000 1.096 0.000) 1.096 2.125 ( 0.000 2.240 0.000) 2.240 2.196 ( 0.000 -0.325 0.000) 0.325 2.421 ( 0.000 -1.970 0.000) 1.970 2.428 ( 0.000 -1.158 0.000) 1.158 2.518 ( 0.000 -3.082 0.000) 3.082 2.577 ( 0.000 0.781 0.000) 0.781 2.929 ( 0.000 2.653 0.000) 2.653 3.013 ( 0.000 3.888 0.000) 3.888 3.082 ( 0.000 -0.743 0.000) 0.743 3.239 ( 0.000 -0.332 0.000) 0.332 4.131 ( 0.000 7.350 0.000) 7.350 4.233 ( 0.000 -0.386 0.000) 0.386 4.254 ( 0.000 2.471 0.000) 2.471 4.264 ( 0.000 2.507 0.000) 2.507 4.402 ( 0.000 -3.329 0.000) 3.329 4.544 ( 0.000 -2.876 0.000) 2.876 4.689 ( 0.000 -4.365 0.000) 4.365 4.730 ( 0.000 -6.011 0.000) 6.011 5.017 ( 0.000 -0.243 0.000) 0.243 5.043 ( 0.000 1.266 0.000) 1.266 5.069 ( 0.000 1.046 0.000) 1.046 5.130 ( 0.000 1.132 0.000) 1.132 5.209 ( 0.000 1.888 0.000) 1.888 5.268 ( 0.000 1.003 0.000) 1.003 5.351 ( 0.000 -3.249 0.000) 3.249 5.374 ( 0.000 -2.184 0.000) 2.184 6.065 ( 0.000 2.748 0.000) 2.748 6.139 ( 0.000 2.959 0.000) 2.959 6.324 ( 0.000 -3.644 0.000) 3.644 6.335 ( 0.000 -2.840 0.000) 2.840 6.963 ( 0.000 2.208 0.000) 2.208 7.060 ( 0.000 2.004 0.000) 2.004 7.111 ( 0.000 -1.386 0.000) 1.386 7.185 ( 0.000 -1.850 0.000) 1.850 ======================= Grid point 22 (14/108) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -2.191 11.021 -4.358) 12.052 0.889 ( 0.933 2.907 -1.212) 3.285 0.917 ( -3.097 7.112 3.425) 8.479 1.011 ( -0.326 -1.311 0.206) 1.366 1.167 ( 1.873 2.921 0.486) 3.504 1.206 ( 0.763 5.141 0.040) 5.198 1.392 ( -2.689 -1.400 1.178) 3.253 1.478 ( -4.246 -0.520 -0.391) 4.296 1.765 ( 2.604 0.177 -0.182) 2.616 1.804 ( 2.477 0.679 -0.290) 2.584 1.834 ( 0.797 -1.533 0.253) 1.746 1.850 ( 1.232 -0.613 0.967) 1.682 1.870 ( 2.229 4.535 -0.115) 5.054 2.042 ( 0.975 1.121 -0.160) 1.494 2.131 ( 0.690 2.249 -0.387) 2.384 2.197 ( 0.057 -0.819 0.094) 0.827 2.383 ( -2.421 -1.194 0.166) 2.704 2.451 ( -0.156 -1.969 1.895) 2.737 2.502 ( -1.052 -3.498 -1.060) 3.803 2.580 ( 0.137 -0.299 -0.051) 0.333 2.856 ( -6.192 1.922 -2.784) 7.056 2.916 ( -7.492 4.844 -1.461) 9.040 3.077 ( -2.185 -2.668 1.766) 3.875 3.270 ( 0.762 -2.785 1.907) 3.460 4.133 ( 0.508 7.010 -0.667) 7.060 4.201 ( -0.788 1.485 -2.637) 3.127 4.250 ( -0.302 1.790 0.704) 1.947 4.303 ( 1.373 2.360 2.078) 3.432 4.414 ( 1.105 -2.918 0.526) 3.164 4.544 ( 0.347 -2.666 -0.631) 2.761 4.682 ( -0.834 -4.181 -0.100) 4.264 4.727 ( -0.356 -5.747 0.155) 5.761 5.026 ( 0.952 -0.002 -0.083) 0.956 5.042 ( 0.492 1.295 -0.482) 1.467 5.088 ( 1.103 0.456 1.224) 1.709 5.127 ( -0.278 1.323 -0.114) 1.356 5.203 ( -0.932 1.503 0.460) 1.828 5.251 ( -1.363 1.022 -0.450) 1.762 5.367 ( 1.402 -2.702 0.237) 3.053 5.378 ( 0.422 -2.214 -0.219) 2.264 6.065 ( -0.405 2.649 0.691) 2.768 6.117 ( -1.937 2.583 -0.711) 3.306 6.308 ( -1.377 -3.335 -0.686) 3.672 6.335 ( -0.237 -2.946 0.380) 2.980 6.975 ( 0.756 2.352 0.796) 2.595 7.030 ( -1.843 2.408 -1.006) 3.194 7.144 ( 2.311 -2.105 0.676) 3.199 7.182 ( 0.117 -2.146 -0.700) 2.260 ======================= Grid point 23 (15/108) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 2.587 7.730 -1.027) 8.216 0.896 ( 2.232 1.776 -2.831) 4.019 0.940 ( 1.444 0.877 1.200) 2.072 1.027 ( 2.564 3.700 0.099) 4.502 1.144 ( -3.420 -0.019 1.020) 3.569 1.189 ( -3.558 0.482 -0.261) 3.600 1.338 ( -4.746 1.015 0.888) 4.934 1.384 ( -5.807 2.573 -0.073) 6.353 1.803 ( 1.574 -1.468 -0.822) 2.304 1.846 ( 0.692 -1.851 0.114) 1.979 1.865 ( 2.772 -1.148 -0.324) 3.018 1.892 ( 4.148 0.243 1.857) 4.551 1.944 ( 4.705 4.667 0.425) 6.640 2.067 ( 1.494 0.857 0.695) 1.857 2.133 ( 0.675 1.830 -2.062) 2.838 2.200 ( 0.461 -0.927 0.204) 1.055 2.350 ( -2.990 -0.989 2.358) 3.934 2.447 ( -1.295 -2.199 -2.349) 3.468 2.468 ( -1.999 -5.126 1.628) 5.737 2.571 ( -1.586 -0.855 -0.350) 1.836 2.711 ( -5.917 0.646 -1.829) 6.227 2.767 ( -7.021 2.971 -1.620) 7.794 3.041 ( -3.528 -5.796 1.950) 7.060 3.273 ( -1.891 -6.642 1.179) 7.006 4.131 ( 0.008 5.276 -0.923) 5.356 4.179 ( 0.704 2.681 -1.753) 3.280 4.253 ( -0.139 3.158 0.819) 3.265 4.341 ( 1.027 2.516 1.479) 3.094 4.448 ( 1.876 -1.688 0.707) 2.621 4.547 ( 0.889 -2.094 -0.997) 2.484 4.657 ( -1.840 -3.693 -0.017) 4.126 4.721 ( -0.527 -5.651 0.309) 5.684 5.037 ( 0.365 0.748 -0.322) 0.892 5.057 ( 1.471 1.010 -0.167) 1.793 5.114 ( 0.467 -0.160 0.188) 0.528 5.127 ( 0.506 1.290 0.473) 1.464 5.179 ( -2.007 0.855 -0.457) 2.229 5.232 ( -0.568 1.541 1.062) 1.955 5.379 ( 0.055 -2.238 -0.714) 2.350 5.396 ( 1.491 -2.139 0.275) 2.622 6.063 ( -1.120 2.683 0.446) 2.942 6.071 ( -1.601 1.876 -0.220) 2.476 6.269 ( -1.912 -3.057 -1.029) 3.750 6.333 ( -0.423 -3.058 0.365) 3.109 6.981 ( -1.062 3.091 -0.910) 3.393 7.010 ( 0.660 2.497 1.020) 2.777 7.165 ( 0.160 -2.757 -1.257) 3.034 7.202 ( 1.956 -3.253 0.874) 3.895 ======================= Grid point 24 (16/108) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 5.721 -1.102 0.298) 5.834 0.925 ( 3.182 1.230 -1.071) 3.576 0.966 ( 0.808 -2.786 0.250) 2.912 1.046 ( -3.562 1.103 -2.136) 4.298 1.116 ( -2.380 2.543 1.376) 3.744 1.129 ( 3.213 2.914 0.566) 4.374 1.236 ( -6.818 2.685 0.095) 7.328 1.301 ( -2.920 4.740 0.178) 5.570 1.813 ( 0.319 0.051 -0.354) 0.479 1.861 ( 0.836 -2.404 -0.240) 2.556 1.885 ( 0.261 -5.396 0.290) 5.410 1.996 ( 3.604 0.720 0.676) 3.737 2.013 ( 2.589 2.704 1.263) 3.950 2.074 ( -1.207 0.586 -1.570) 2.065 2.158 ( 4.532 0.824 -0.296) 4.616 2.230 ( 1.620 -0.148 1.362) 2.122 2.286 ( -5.694 0.847 -0.114) 5.758 2.391 ( -1.432 -4.616 -0.726) 4.887 2.464 ( -0.123 -5.541 0.531) 5.568 2.502 ( -4.065 1.460 -0.732) 4.381 2.642 ( -1.498 -0.930 -0.688) 1.893 2.683 ( -1.294 -0.413 0.047) 1.359 3.003 ( -1.751 -8.034 0.718) 8.254 3.246 ( -1.349 -9.257 0.347) 9.361 4.123 ( -0.061 3.961 -0.401) 3.981 4.182 ( 0.574 2.813 -0.615) 2.936 4.258 ( -0.023 4.456 0.416) 4.476 4.363 ( 0.374 2.631 0.525) 2.709 4.482 ( 1.091 -0.160 0.341) 1.154 4.557 ( 0.998 -1.372 -0.660) 1.820 4.624 ( -1.529 -3.568 0.174) 3.886 4.715 ( -0.317 -6.093 0.173) 6.103 5.037 ( -0.031 1.128 -0.179) 1.143 5.086 ( 1.681 1.096 0.118) 2.010 5.116 ( -0.089 0.734 -0.415) 0.848 5.136 ( -1.888 0.633 -0.170) 1.998 5.139 ( 0.228 0.057 0.137) 0.272 5.245 ( 0.336 1.888 0.987) 2.157 5.369 ( -0.269 -2.483 -0.597) 2.568 5.419 ( 0.658 -1.844 0.136) 1.962 6.030 ( -1.053 1.839 -0.311) 2.142 6.071 ( -0.073 2.510 0.532) 2.567 6.233 ( -0.956 -3.011 -0.560) 3.208 6.329 ( -0.219 -3.223 0.133) 3.233 6.957 ( -0.513 3.249 -0.467) 3.322 7.032 ( 0.517 2.916 0.639) 3.030 7.154 ( -0.061 -3.416 -0.666) 3.481 7.235 ( 0.843 -3.826 0.385) 3.937 ======================= Grid point 28 (17/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 -1.775 0.000) 1.775 0.900 ( 0.000 -1.100 0.000) 1.100 1.056 ( 0.000 7.694 0.000) 7.694 1.176 ( 0.000 4.512 0.000) 4.512 1.205 ( 0.000 4.520 0.000) 4.520 1.311 ( 0.000 3.578 0.000) 3.578 1.346 ( 0.000 -3.464 0.000) 3.464 1.444 ( 0.000 -4.738 0.000) 4.738 1.764 ( 0.000 0.182 0.000) 0.182 1.774 ( 0.000 0.703 0.000) 0.703 1.817 ( 0.000 1.515 0.000) 1.515 1.849 ( 0.000 0.698 0.000) 0.698 1.961 ( 0.000 4.617 0.000) 4.617 2.080 ( 0.000 3.647 0.000) 3.647 2.116 ( 0.000 -2.806 0.000) 2.806 2.201 ( 0.000 0.032 0.000) 0.032 2.397 ( 0.000 -0.875 0.000) 0.875 2.403 ( 0.000 -1.151 0.000) 1.151 2.485 ( 0.000 0.443 0.000) 0.443 2.570 ( 0.000 -1.444 0.000) 1.444 2.974 ( 0.000 1.977 0.000) 1.977 3.056 ( 0.000 -1.757 0.000) 1.757 3.097 ( 0.000 4.103 0.000) 4.103 3.220 ( 0.000 -1.615 0.000) 1.615 4.229 ( 0.000 0.108 0.000) 0.108 4.263 ( 0.000 1.822 0.000) 1.822 4.303 ( 0.000 4.833 0.000) 4.833 4.322 ( 0.000 3.076 0.000) 3.076 4.377 ( 0.000 2.062 0.000) 2.062 4.482 ( 0.000 -2.997 0.000) 2.997 4.583 ( 0.000 -5.806 0.000) 5.806 4.605 ( 0.000 -6.278 0.000) 6.278 5.022 ( 0.000 0.799 0.000) 0.799 5.070 ( 0.000 -0.784 0.000) 0.784 5.081 ( 0.000 2.303 0.000) 2.303 5.147 ( 0.000 0.157 0.000) 0.157 5.243 ( 0.000 1.361 0.000) 1.361 5.285 ( 0.000 0.715 0.000) 0.715 5.292 ( 0.000 -2.252 0.000) 2.252 5.334 ( 0.000 -1.727 0.000) 1.727 6.124 ( 0.000 2.925 0.000) 2.925 6.195 ( 0.000 2.522 0.000) 2.522 6.250 ( 0.000 -3.420 0.000) 3.420 6.286 ( 0.000 -2.169 0.000) 2.169 7.005 ( 0.000 1.872 0.000) 1.872 7.078 ( 0.000 -1.760 0.000) 1.760 7.096 ( 0.000 1.550 0.000) 1.550 7.151 ( 0.000 -1.440 0.000) 1.440 ======================= Grid point 29 (18/108) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -2.008 -0.556 -0.152) 2.089 0.888 ( 0.958 -2.036 -1.836) 2.904 1.041 ( -0.839 7.928 -2.223) 8.277 1.136 ( -1.582 7.153 0.927) 7.384 1.206 ( -1.983 0.978 0.470) 2.260 1.294 ( -2.170 3.454 0.225) 4.085 1.350 ( -0.859 -2.692 1.685) 3.290 1.440 ( -0.221 -3.241 -0.385) 3.271 1.749 ( -0.198 -0.101 -0.691) 0.726 1.794 ( -0.087 -1.477 1.297) 1.968 1.817 ( -0.266 0.490 0.654) 0.859 1.866 ( 1.959 0.875 0.105) 2.148 1.974 ( 1.574 4.281 -0.004) 4.561 2.087 ( 0.748 3.120 0.295) 3.222 2.134 ( 1.141 -1.669 0.768) 2.163 2.197 ( -0.478 0.104 0.084) 0.497 2.373 ( -2.270 0.037 0.968) 2.469 2.407 ( -1.552 -2.234 2.082) 3.426 2.463 ( -1.861 0.202 -0.713) 2.003 2.555 ( -1.718 -2.136 0.318) 2.759 2.897 ( -6.876 2.254 -1.883) 7.477 3.014 ( -7.069 1.377 1.263) 7.312 3.019 ( -5.013 0.368 -1.728) 5.315 3.202 ( -3.019 -3.885 0.644) 4.962 4.221 ( 0.130 1.098 -1.140) 1.588 4.283 ( 0.067 7.060 -1.698) 7.262 4.289 ( 1.093 0.346 1.463) 1.859 4.349 ( 1.421 2.375 1.286) 3.052 4.389 ( 1.265 1.959 0.067) 2.333 4.484 ( 0.694 -3.095 -0.738) 3.256 4.582 ( -0.278 -5.379 0.112) 5.387 4.605 ( 0.002 -6.301 -0.155) 6.303 5.034 ( 1.028 0.776 0.350) 1.334 5.073 ( 0.083 0.553 0.451) 0.718 5.088 ( 0.797 0.716 -0.138) 1.080 5.145 ( -0.143 0.068 -0.163) 0.227 5.231 ( -1.282 1.318 0.385) 1.879 5.266 ( -0.969 0.359 -0.209) 1.054 5.321 ( 1.764 -1.526 0.464) 2.378 5.337 ( 0.460 -1.737 -0.459) 1.855 6.120 ( -0.524 2.649 0.313) 2.719 6.165 ( -2.192 1.885 -1.280) 3.162 6.248 ( -0.833 -2.345 0.043) 2.489 6.280 ( -0.610 -2.470 0.173) 2.550 7.017 ( 0.795 1.844 0.991) 2.239 7.065 ( -1.181 0.785 -0.402) 1.474 7.110 ( 1.356 -1.005 0.154) 1.695 7.143 ( -0.298 -1.592 -0.971) 1.889 ======================= Grid point 30 (19/108) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -1.463 0.003 -1.480) 2.081 0.885 ( -0.507 -3.299 -0.279) 3.350 1.012 ( 0.967 8.117 -2.457) 8.536 1.153 ( 1.573 6.194 -0.625) 6.421 1.156 ( -3.041 0.749 1.418) 3.438 1.247 ( -3.025 4.615 0.249) 5.524 1.335 ( -2.843 -1.590 1.862) 3.752 1.417 ( -2.106 -0.362 -0.471) 2.188 1.751 ( 1.146 -1.906 -0.549) 2.291 1.793 ( -0.937 -2.669 1.264) 3.098 1.818 ( -0.561 -0.805 1.086) 1.463 1.910 ( 2.246 -1.476 0.649) 2.764 2.015 ( 2.519 2.513 0.117) 3.560 2.105 ( 0.444 1.959 0.824) 2.171 2.152 ( 0.902 -0.155 -1.331) 1.615 2.191 ( -0.280 -0.017 0.898) 0.941 2.347 ( -2.643 0.730 3.002) 4.066 2.381 ( -3.141 -2.600 0.974) 4.193 2.422 ( -1.841 -0.109 -0.246) 1.860 2.526 ( -1.770 -3.198 0.572) 3.700 2.740 ( -7.737 2.375 -1.510) 8.233 2.852 ( -8.512 5.122 -2.103) 10.155 2.922 ( -6.268 -5.709 1.066) 8.545 3.125 ( -5.459 -7.598 -0.059) 9.356 4.217 ( 0.408 3.036 -0.852) 3.180 4.265 ( -0.197 5.138 -1.339) 5.314 4.328 ( 1.211 3.688 1.225) 4.071 4.390 ( 1.849 1.582 0.996) 2.629 4.420 ( 2.153 0.659 0.082) 2.253 4.496 ( 1.675 -2.942 -1.109) 3.563 4.572 ( -1.081 -4.425 0.375) 4.571 4.598 ( -0.630 -6.366 -0.249) 6.402 5.055 ( 0.751 1.007 0.197) 1.271 5.084 ( 0.944 1.169 0.332) 1.539 5.104 ( 0.933 -0.344 0.197) 1.013 5.139 ( -0.206 -0.202 -0.438) 0.525 5.204 ( -1.847 1.671 -0.511) 2.543 5.258 ( -0.253 0.738 1.397) 1.600 5.334 ( 0.014 -1.804 -0.987) 2.057 5.357 ( 1.518 -1.722 0.369) 2.325 6.109 ( -1.952 1.772 -0.829) 2.764 6.118 ( -0.663 2.401 0.450) 2.532 6.218 ( -1.923 -1.766 -0.827) 2.738 6.270 ( -0.737 -2.998 0.287) 3.101 7.032 ( -0.866 1.959 -0.577) 2.218 7.050 ( 0.696 1.444 1.242) 2.028 7.120 ( -0.247 -1.511 -1.423) 2.090 7.145 ( 1.367 -2.255 0.536) 2.691 ======================= Grid point 31 (20/108) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.045 -1.773 -0.581) 1.866 0.868 ( -0.845 -4.323 -0.030) 4.405 1.031 ( 2.744 6.443 -1.779) 7.225 1.099 ( -3.176 3.033 1.132) 4.535 1.205 ( -1.441 6.133 0.338) 6.309 1.209 ( 4.174 3.747 -1.185) 5.733 1.282 ( -4.647 1.210 1.312) 4.978 1.376 ( -1.433 1.652 -0.126) 2.191 1.769 ( 1.151 -3.966 -0.783) 4.203 1.792 ( -0.674 -2.910 1.370) 3.287 1.817 ( -0.258 -0.718 0.355) 0.842 1.953 ( 1.524 -4.862 0.923) 5.178 2.038 ( 0.062 0.737 -0.272) 0.788 2.116 ( -0.269 2.291 0.583) 2.379 2.147 ( 0.881 -2.256 -1.743) 2.984 2.213 ( 1.012 -1.267 1.611) 2.286 2.316 ( -2.875 2.108 -0.173) 3.569 2.344 ( -0.837 -0.024 1.214) 1.475 2.400 ( -0.635 -0.235 0.239) 0.718 2.498 ( -1.608 -2.180 -0.079) 2.710 2.641 ( -2.375 1.232 -0.103) 2.678 2.720 ( -3.663 4.218 -0.935) 5.664 2.842 ( -2.902 -7.520 0.318) 8.067 3.040 ( -2.927 -10.350 -0.282) 10.760 4.219 ( 0.329 5.041 -0.243) 5.058 4.252 ( -0.190 3.833 -0.554) 3.877 4.349 ( 0.320 4.194 0.410) 4.226 4.419 ( 0.588 2.654 0.309) 2.736 4.464 ( 2.059 -1.245 0.211) 2.416 4.519 ( 1.788 -2.191 -0.889) 2.964 4.551 ( -1.604 -3.638 0.563) 4.016 4.581 ( -0.900 -6.821 -0.139) 6.881 5.062 ( 0.100 1.372 0.009) 1.376 5.108 ( 1.147 0.565 0.292) 1.312 5.122 ( 0.691 -0.373 0.308) 0.843 5.131 ( -0.226 -0.210 -0.559) 0.638 5.165 ( -1.640 2.428 -0.404) 2.958 5.280 ( 0.741 0.636 1.893) 2.130 5.315 ( -0.735 -1.837 -1.614) 2.553 5.380 ( 0.628 -1.997 0.212) 2.104 6.072 ( -0.979 2.224 -0.425) 2.467 6.125 ( 0.287 2.507 0.750) 2.633 6.178 ( -1.324 -2.218 -0.818) 2.710 6.261 ( -0.373 -3.348 0.085) 3.370 7.013 ( -0.469 2.186 -0.374) 2.267 7.078 ( 0.702 0.821 1.384) 1.755 7.100 ( -0.413 -1.087 -1.391) 1.813 7.170 ( 0.646 -2.575 0.308) 2.673 ======================= Grid point 35 (21/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 -0.811 0.000) 0.811 0.874 ( 0.000 0.811 0.000) 0.811 1.186 ( 0.000 -3.881 0.000) 3.881 1.186 ( 0.000 3.881 0.000) 3.881 1.275 ( 0.000 -3.121 0.000) 3.121 1.275 ( 0.000 3.121 0.000) 3.121 1.366 ( 0.000 -2.591 0.000) 2.591 1.366 ( 0.000 2.591 0.000) 2.591 1.772 ( 0.000 -0.391 0.000) 0.391 1.772 ( 0.000 0.391 0.000) 0.391 1.852 ( 0.000 -0.830 0.000) 0.830 1.852 ( 0.000 0.830 0.000) 0.830 2.042 ( 0.000 -3.881 0.000) 3.881 2.042 ( 0.000 3.881 0.000) 3.881 2.164 ( 0.000 -3.609 0.000) 3.609 2.164 ( 0.000 3.609 0.000) 3.609 2.388 ( 0.000 -0.190 0.000) 0.190 2.388 ( 0.000 0.190 0.000) 0.190 2.525 ( 0.000 -2.670 0.000) 2.670 2.525 ( 0.000 2.670 0.000) 2.670 3.016 ( 0.000 -2.113 0.000) 2.113 3.016 ( 0.000 2.113 0.000) 2.113 3.172 ( 0.000 -3.096 0.000) 3.096 3.172 ( 0.000 3.096 0.000) 3.096 4.243 ( 0.000 -1.277 0.000) 1.277 4.243 ( 0.000 1.277 0.000) 1.277 4.381 ( 0.000 -1.741 0.000) 1.741 4.381 ( 0.000 1.741 0.000) 1.741 4.460 ( 0.000 -6.114 0.000) 6.114 4.460 ( 0.000 6.114 0.000) 6.114 4.482 ( 0.000 -4.803 0.000) 4.803 4.482 ( 0.000 4.803 0.000) 4.803 5.046 ( 0.000 -1.370 0.000) 1.370 5.046 ( 0.000 1.370 0.000) 1.370 5.128 ( 0.000 -1.939 0.000) 1.939 5.128 ( 0.000 1.939 0.000) 1.939 5.263 ( 0.000 -0.817 0.000) 0.817 5.263 ( 0.000 0.817 0.000) 0.817 5.304 ( 0.000 -1.242 0.000) 1.242 5.304 ( 0.000 1.242 0.000) 1.242 6.184 ( 0.000 -3.071 0.000) 3.071 6.184 ( 0.000 3.071 0.000) 3.071 6.243 ( 0.000 -2.152 0.000) 2.152 6.243 ( 0.000 2.152 0.000) 2.152 7.042 ( 0.000 -1.810 0.000) 1.810 7.042 ( 0.000 1.810 0.000) 1.810 7.124 ( 0.000 -1.290 0.000) 1.290 7.124 ( 0.000 1.290 0.000) 1.290 ======================= Grid point 37 (22/108) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.618 -0.246 -0.764) 1.014 0.866 ( -0.618 0.246 -0.764) 1.014 1.167 ( -1.304 -3.763 -1.024) 4.112 1.167 ( -1.304 3.763 -1.024) 4.112 1.268 ( -0.505 -4.466 0.061) 4.495 1.268 ( -0.505 4.466 0.061) 4.495 1.368 ( -0.759 -3.295 1.146) 3.571 1.368 ( -0.759 3.295 1.146) 3.571 1.764 ( -0.868 -1.305 0.029) 1.568 1.764 ( -0.868 1.305 0.029) 1.568 1.850 ( -0.609 -1.975 0.905) 2.256 1.850 ( -0.609 1.975 0.905) 2.256 2.057 ( 0.950 -3.972 0.724) 4.148 2.057 ( 0.950 3.972 0.724) 4.148 2.170 ( 0.567 -2.805 -0.015) 2.862 2.170 ( 0.567 2.805 -0.015) 2.862 2.378 ( -1.953 -0.582 1.705) 2.657 2.378 ( -1.953 0.582 1.705) 2.657 2.501 ( -2.476 -2.830 0.070) 3.761 2.501 ( -2.476 2.830 0.070) 3.761 2.952 ( -6.587 -3.062 -0.224) 7.267 2.952 ( -6.587 3.062 -0.224) 7.267 3.115 ( -5.687 -4.623 -0.920) 7.387 3.115 ( -5.687 4.623 -0.920) 7.387 4.255 ( 1.035 -2.101 0.356) 2.369 4.255 ( 1.035 2.101 0.356) 2.369 4.392 ( 1.441 -2.566 -0.435) 2.975 4.392 ( 1.441 2.566 -0.435) 2.975 4.457 ( 0.616 -2.757 -1.670) 3.282 4.457 ( 0.616 2.757 -1.670) 3.282 4.487 ( -0.211 -1.668 1.317) 2.135 4.487 ( -0.211 1.668 1.317) 2.135 5.056 ( 0.686 -1.218 0.658) 1.545 5.056 ( 0.686 1.218 0.658) 1.545 5.125 ( 0.026 -1.815 -0.455) 1.871 5.125 ( 0.026 1.815 -0.455) 1.871 5.258 ( -0.807 -1.159 0.364) 1.458 5.258 ( -0.807 1.159 0.364) 1.458 5.312 ( 0.918 -0.556 -0.187) 1.090 5.312 ( 0.918 0.556 -0.187) 1.090 6.168 ( -1.303 -1.810 -0.561) 2.299 6.168 ( -1.303 1.810 -0.561) 2.299 6.237 ( -0.811 -1.467 0.105) 1.680 6.237 ( -0.811 1.467 0.105) 1.680 7.052 ( 0.517 -1.517 0.783) 1.784 7.052 ( 0.517 1.517 0.783) 1.784 7.116 ( -0.270 -1.103 -0.909) 1.454 7.116 ( -0.270 1.103 -0.909) 1.454 ======================= Grid point 39 (23/108) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -1.471 -1.177 -1.064) 2.164 0.837 ( -1.471 1.177 -1.064) 2.164 1.137 ( -0.789 -3.352 -0.836) 3.544 1.137 ( -0.789 3.352 -0.836) 3.544 1.265 ( -0.288 -4.497 0.738) 4.566 1.265 ( -0.288 4.497 0.738) 4.566 1.356 ( -1.283 -4.833 0.356) 5.013 1.356 ( -1.283 4.833 0.356) 5.013 1.748 ( -0.894 -1.312 0.373) 1.630 1.748 ( -0.894 1.312 0.373) 1.630 1.849 ( -0.715 -3.291 1.303) 3.611 1.849 ( -0.715 3.291 1.303) 3.611 2.075 ( 0.297 -3.275 0.191) 3.294 2.075 ( 0.297 3.275 0.191) 3.294 2.178 ( -0.001 -1.532 0.394) 1.582 2.178 ( -0.001 1.532 0.394) 1.582 2.358 ( -2.251 -0.404 2.331) 3.266 2.358 ( -2.251 0.404 2.331) 3.266 2.457 ( -2.190 -3.166 0.370) 3.867 2.457 ( -2.190 3.166 0.370) 3.867 2.812 ( -7.920 -4.650 -0.155) 9.186 2.812 ( -7.920 4.650 -0.155) 9.186 2.976 ( -7.766 -6.778 -1.722) 10.451 2.976 ( -7.766 6.778 -1.722) 10.451 4.278 ( 1.098 -2.698 0.358) 2.935 4.278 ( 1.098 2.698 0.358) 2.935 4.419 ( 1.994 -4.284 -0.625) 4.766 4.419 ( 1.994 4.284 -0.625) 4.766 4.453 ( 0.627 -3.304 -1.462) 3.667 4.453 ( 0.627 3.304 -1.462) 3.667 4.495 ( -0.343 -1.462 1.200) 1.922 4.495 ( -0.343 1.462 1.200) 1.922 5.077 ( 0.772 -1.068 0.816) 1.551 5.077 ( 0.772 1.068 0.816) 1.551 5.123 ( 0.316 -1.257 -0.591) 1.424 5.123 ( 0.316 1.257 -0.591) 1.424 5.244 ( -0.976 -1.940 0.102) 2.174 5.244 ( -0.976 1.940 0.102) 2.174 5.327 ( 0.780 -1.010 0.025) 1.277 5.327 ( 0.780 1.010 0.025) 1.277 6.138 ( -1.346 -0.769 -0.402) 1.602 6.138 ( -1.346 0.769 -0.402) 1.602 6.216 ( -1.335 -1.893 -0.160) 2.322 6.216 ( -1.335 1.893 -0.160) 2.322 7.060 ( -0.331 -0.641 0.125) 0.732 7.060 ( -0.331 0.641 0.125) 0.732 7.112 ( 0.701 -0.865 -0.241) 1.140 7.112 ( 0.701 0.865 -0.241) 1.140 ======================= Grid point 41 (24/108) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -0.884 -1.489 -0.476) 1.796 0.806 ( -0.884 1.489 -0.476) 1.796 1.124 ( -0.126 -1.567 -0.292) 1.599 1.124 ( -0.126 1.567 -0.292) 1.599 1.270 ( 0.070 -2.133 0.597) 2.216 1.270 ( 0.070 2.133 0.597) 2.216 1.336 ( -0.773 -5.317 -0.281) 5.381 1.336 ( -0.773 5.317 -0.281) 5.381 1.741 ( -0.303 -1.167 0.305) 1.244 1.741 ( -0.303 1.167 0.305) 1.244 1.848 ( -0.396 -3.899 0.689) 3.979 1.848 ( -0.396 3.899 0.689) 3.979 2.073 ( -0.266 -2.810 -0.108) 2.825 2.073 ( -0.266 2.810 -0.108) 2.825 2.177 ( -0.400 -2.373 0.441) 2.447 2.177 ( -0.400 2.373 0.441) 2.447 2.348 ( -0.630 -0.446 0.933) 1.211 2.348 ( -0.630 0.446 0.933) 1.211 2.437 ( -0.545 -3.123 0.283) 3.183 2.437 ( -0.545 3.123 0.283) 3.183 2.707 ( -3.296 -5.220 0.193) 6.176 2.707 ( -3.296 5.220 0.193) 6.176 2.848 ( -3.960 -8.062 -1.216) 9.064 2.848 ( -3.960 8.062 -1.216) 9.064 4.295 ( 0.437 -1.314 0.148) 1.393 4.295 ( 0.437 1.314 0.148) 1.393 4.435 ( 0.422 -4.822 -0.599) 4.877 4.435 ( 0.422 4.822 -0.599) 4.877 4.461 ( 1.116 -0.716 -0.378) 1.379 4.461 ( 1.116 0.716 -0.378) 1.379 4.495 ( -0.522 -1.489 0.604) 1.690 4.495 ( -0.522 1.489 0.604) 1.690 5.092 ( 0.198 -1.438 0.329) 1.488 5.092 ( 0.198 1.438 0.329) 1.488 5.126 ( 0.390 -0.387 -0.258) 0.607 5.126 ( 0.390 0.387 -0.258) 0.607 5.229 ( -0.530 -3.535 -0.027) 3.574 5.229 ( -0.530 3.535 -0.027) 3.574 5.338 ( 0.290 -2.079 0.067) 2.100 5.338 ( 0.290 2.079 0.067) 2.100 6.119 ( -0.543 -2.254 -0.105) 2.320 6.119 ( -0.543 2.254 -0.105) 2.320 6.195 ( -0.671 -3.026 -0.145) 3.103 6.195 ( -0.671 3.026 -0.145) 3.103 7.051 ( -0.309 -1.739 -0.222) 1.780 7.051 ( -0.309 1.739 -0.222) 1.780 7.126 ( 0.496 -1.860 0.185) 1.934 7.126 ( 0.496 1.860 0.185) 1.934 ======================= Grid point 77 (25/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 1.447 0.000 13.447) 13.525 0.289 ( 5.328 0.000 13.948) 14.931 0.422 ( -2.051 0.000 20.856) 20.957 0.725 ( -0.697 0.000 -1.743) 1.878 0.807 ( 0.156 0.000 -2.198) 2.203 1.269 ( 1.058 0.000 -5.914) 6.008 1.460 ( -1.424 0.000 0.340) 1.464 1.538 ( 2.126 0.000 -0.007) 2.126 1.675 ( 1.590 0.000 -0.198) 1.603 1.692 ( -1.457 0.000 -0.570) 1.564 1.758 ( -0.538 0.000 0.088) 0.545 1.848 ( -1.800 0.000 0.903) 2.014 1.976 ( 3.578 0.000 0.494) 3.612 1.977 ( -1.323 0.000 -1.670) 2.131 2.005 ( -3.574 0.000 1.081) 3.733 2.114 ( 5.735 0.000 -1.002) 5.822 2.450 ( -1.928 0.000 -0.111) 1.931 2.465 ( 3.170 0.000 -0.562) 3.219 2.620 ( 0.770 0.000 0.737) 1.066 2.659 ( 1.805 0.000 -1.177) 2.155 2.675 ( -2.720 0.000 -2.463) 3.670 2.715 ( -1.076 0.000 -1.768) 2.069 3.143 ( -7.580 0.000 3.288) 8.262 3.225 ( 1.354 0.000 0.498) 1.443 3.886 ( 1.007 0.000 2.624) 2.811 4.084 ( -1.949 0.000 -2.989) 3.568 4.202 ( 1.907 0.000 1.740) 2.582 4.278 ( -1.808 0.000 -0.987) 2.059 4.550 ( -0.919 0.000 0.951) 1.323 4.626 ( 0.712 0.000 -1.093) 1.305 4.847 ( -0.679 0.000 2.184) 2.287 4.992 ( -1.587 0.000 -1.221) 2.003 5.035 ( -0.561 0.000 -0.080) 0.567 5.036 ( 2.122 0.000 -0.415) 2.162 5.079 ( -0.192 0.000 0.636) 0.664 5.086 ( -0.357 0.000 0.673) 0.761 5.120 ( -0.090 0.000 -0.259) 0.274 5.152 ( 0.313 0.000 -0.665) 0.735 5.466 ( 0.462 0.000 0.321) 0.563 5.490 ( -0.085 0.000 -0.251) 0.265 6.011 ( 0.296 0.000 1.545) 1.573 6.129 ( 3.513 0.000 -1.157) 3.699 6.467 ( 0.861 0.000 0.052) 0.862 6.510 ( -0.738 0.000 -0.859) 1.132 6.791 ( -0.399 0.000 -0.941) 1.022 6.817 ( -0.121 0.000 -1.880) 1.884 7.187 ( 5.412 0.000 2.210) 5.846 7.267 ( -0.525 0.000 -0.010) 0.526 ======================= Grid point 78 (26/108) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 12.117 0.000 8.260) 14.665 0.544 ( 3.658 0.000 14.637) 15.087 0.715 ( 15.689 0.000 2.211) 15.844 0.826 ( 11.952 0.000 -3.428) 12.434 0.885 ( 11.321 0.000 3.854) 11.960 1.214 ( 0.964 0.000 -7.603) 7.664 1.395 ( -6.320 0.000 -0.899) 6.383 1.510 ( -4.909 0.000 0.857) 4.983 1.646 ( -2.769 0.000 -1.048) 2.961 1.655 ( -3.812 0.000 0.871) 3.910 1.802 ( 4.261 0.000 0.601) 4.303 1.810 ( -1.274 0.000 -1.115) 1.693 1.965 ( 0.357 0.000 1.411) 1.456 2.010 ( 5.823 0.000 0.195) 5.827 2.088 ( 6.085 0.000 -0.015) 6.085 2.173 ( 2.541 0.000 0.077) 2.542 2.379 ( -5.046 0.000 -0.713) 5.096 2.454 ( -4.837 0.000 -0.434) 4.856 2.635 ( 3.051 0.000 -4.115) 5.123 2.661 ( 2.320 0.000 0.271) 2.336 2.686 ( 1.762 0.000 0.765) 1.921 2.697 ( 0.696 0.000 -2.093) 2.205 3.210 ( 6.661 0.000 -0.796) 6.708 3.303 ( 5.814 0.000 1.188) 5.934 3.953 ( 2.876 0.000 3.821) 4.783 4.021 ( -1.553 0.000 -3.150) 3.512 4.234 ( -2.032 0.000 -0.999) 2.264 4.245 ( 1.183 0.000 1.398) 1.831 4.527 ( -2.420 0.000 0.816) 2.554 4.609 ( -1.436 0.000 -0.834) 1.661 4.851 ( -1.307 0.000 2.395) 2.729 4.947 ( -1.972 0.000 -0.660) 2.080 5.020 ( -0.747 0.000 -0.402) 0.848 5.056 ( 0.400 0.000 0.001) 0.400 5.080 ( -0.946 0.000 0.376) 1.018 5.086 ( 0.385 0.000 0.614) 0.725 5.122 ( 0.445 0.000 -0.046) 0.447 5.155 ( 0.840 0.000 -0.665) 1.072 5.473 ( -1.140 0.000 -0.608) 1.292 5.480 ( 0.486 0.000 0.508) 0.703 6.025 ( -0.597 0.000 1.872) 1.965 6.082 ( -4.335 0.000 -0.337) 4.348 6.469 ( -2.487 0.000 -1.611) 2.963 6.475 ( -0.236 0.000 0.570) 0.616 6.784 ( 0.542 0.000 -0.745) 0.922 6.803 ( 0.290 0.000 -1.455) 1.483 7.269 ( 1.137 0.000 -0.613) 1.292 7.334 ( 7.776 0.000 -2.185) 8.078 ======================= Grid point 79 (27/108) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 3.505 0.000 11.305) 11.836 0.794 ( 10.203 0.000 4.388) 11.106 0.891 ( 9.081 0.000 -3.384) 9.691 0.948 ( 5.978 0.000 -7.861) 9.876 1.187 ( -1.494 0.000 2.407) 2.833 1.229 ( 6.179 0.000 -2.579) 6.696 1.283 ( 10.403 0.000 -1.249) 10.478 1.431 ( -3.075 0.000 0.504) 3.116 1.568 ( -6.669 0.000 1.278) 6.790 1.579 ( -3.028 0.000 -1.508) 3.382 1.802 ( 0.637 0.000 -0.021) 0.637 1.877 ( 2.958 0.000 0.600) 3.018 2.014 ( 2.190 0.000 1.649) 2.742 2.135 ( 4.724 0.000 1.556) 4.973 2.179 ( 3.275 0.000 -1.771) 3.724 2.226 ( 3.785 0.000 0.926) 3.897 2.291 ( -2.368 0.000 0.637) 2.452 2.337 ( -5.796 0.000 -2.218) 6.206 2.665 ( 3.172 0.000 -3.225) 4.524 2.686 ( 1.048 0.000 -0.493) 1.158 2.697 ( 0.998 0.000 -0.566) 1.147 2.736 ( 1.752 0.000 1.835) 2.537 3.293 ( 3.922 0.000 -1.332) 4.142 3.415 ( 4.806 0.000 0.762) 4.866 3.984 ( 0.381 0.000 -1.941) 1.978 4.048 ( 3.658 0.000 3.505) 5.066 4.185 ( -2.121 0.000 -1.813) 2.790 4.265 ( 0.099 0.000 0.363) 0.377 4.489 ( -2.519 0.000 0.924) 2.683 4.571 ( -1.910 0.000 -0.434) 1.959 4.847 ( -1.490 0.000 2.193) 2.651 4.913 ( -1.128 0.000 -0.845) 1.409 5.004 ( -0.613 0.000 -0.412) 0.739 5.056 ( -0.328 0.000 0.166) 0.367 5.063 ( -1.129 0.000 0.234) 1.153 5.096 ( 0.171 0.000 0.091) 0.194 5.131 ( 0.433 0.000 0.181) 0.469 5.169 ( 1.140 0.000 -0.486) 1.239 5.446 ( -1.190 0.000 -0.348) 1.239 5.490 ( 0.210 0.000 0.205) 0.294 6.009 ( -3.395 0.000 -0.292) 3.408 6.023 ( -1.121 0.000 0.732) 1.339 6.409 ( -2.286 0.000 -1.009) 2.498 6.473 ( -0.522 0.000 0.579) 0.780 6.797 ( 1.061 0.000 0.236) 1.087 6.802 ( 0.504 0.000 -0.331) 0.603 7.292 ( 1.887 0.000 -0.575) 1.973 7.417 ( 4.204 0.000 -2.077) 4.689 ======================= Grid point 80 (28/108) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -2.741 0.000 5.264) 5.935 0.942 ( 1.503 0.000 1.592) 2.190 0.946 ( -0.884 0.000 -0.359) 0.954 0.970 ( 7.625 0.000 -7.220) 10.501 1.095 ( 3.294 0.000 -1.565) 3.647 1.262 ( -2.908 0.000 3.051) 4.215 1.431 ( 1.437 0.000 -1.914) 2.394 1.459 ( -5.067 0.000 1.793) 5.375 1.538 ( 9.131 0.000 -2.311) 9.419 1.553 ( 2.393 0.000 -2.211) 3.258 1.821 ( 0.764 0.000 1.273) 1.485 1.914 ( 0.860 0.000 0.330) 0.921 2.038 ( -0.793 0.000 1.405) 1.613 2.125 ( -7.081 0.000 1.915) 7.336 2.155 ( -0.463 0.000 -1.445) 1.517 2.228 ( -0.137 0.000 -2.856) 2.859 2.333 ( 2.200 0.000 0.784) 2.335 2.351 ( 5.109 0.000 0.067) 5.109 2.676 ( 1.255 0.000 -1.189) 1.729 2.694 ( 0.478 0.000 -0.772) 0.908 2.727 ( 1.721 0.000 0.786) 1.892 2.764 ( -0.454 0.000 1.436) 1.506 3.339 ( 2.335 0.000 0.373) 2.365 3.463 ( 0.698 0.000 -0.881) 1.125 3.997 ( 1.652 0.000 0.114) 1.656 4.119 ( -2.193 0.000 -1.625) 2.729 4.140 ( 2.363 0.000 1.759) 2.946 4.257 ( -0.579 0.000 -0.967) 1.127 4.465 ( -1.145 0.000 1.331) 1.756 4.543 ( -0.769 0.000 -0.186) 0.791 4.840 ( -1.383 0.000 1.766) 2.243 4.895 ( 0.009 0.000 -0.562) 0.562 4.996 ( 0.085 0.000 -0.060) 0.104 5.048 ( -0.516 0.000 -0.339) 0.618 5.050 ( -0.541 0.000 0.346) 0.643 5.095 ( -0.039 0.000 -0.486) 0.487 5.138 ( 0.090 0.000 0.241) 0.257 5.180 ( 0.524 0.000 -0.587) 0.787 5.433 ( -0.209 0.000 0.472) 0.516 5.490 ( -0.091 0.000 -0.246) 0.262 5.961 ( -1.475 0.000 -0.588) 1.588 6.001 ( -0.971 0.000 -1.143) 1.500 6.387 ( -0.060 0.000 1.122) 1.124 6.468 ( -0.478 0.000 0.351) 0.593 6.814 ( 0.550 0.000 0.825) 0.992 6.818 ( 0.501 0.000 1.090) 1.199 7.316 ( 1.005 0.000 -0.218) 1.028 7.448 ( 1.839 0.000 -2.471) 3.080 ======================= Grid point 81 (29/108) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -13.512 0.000 -1.201) 13.565 0.889 ( -8.385 0.000 -0.333) 8.391 1.013 ( 1.596 0.000 1.685) 2.321 1.063 ( 8.416 0.000 -4.049) 9.339 1.168 ( 2.744 0.000 1.786) 3.274 1.244 ( -0.601 0.000 2.392) 2.466 1.413 ( -3.806 0.000 -1.964) 4.283 1.423 ( -0.420 0.000 0.262) 0.495 1.503 ( -9.086 0.000 -3.451) 9.719 1.555 ( 1.177 0.000 -1.440) 1.860 1.845 ( -0.045 0.000 2.016) 2.017 1.918 ( -0.529 0.000 0.009) 0.529 2.044 ( -1.257 0.000 1.809) 2.203 2.056 ( 0.178 0.000 -0.588) 0.615 2.182 ( 4.983 0.000 -0.053) 4.983 2.204 ( -0.509 0.000 -2.742) 2.789 2.320 ( -4.254 0.000 0.344) 4.267 2.391 ( -0.459 0.000 0.613) 0.766 2.686 ( -0.389 0.000 -1.313) 1.370 2.697 ( 1.402 0.000 -0.271) 1.428 2.751 ( -1.949 0.000 0.675) 2.063 2.766 ( 1.154 0.000 1.806) 2.143 3.392 ( 2.236 0.000 2.306) 3.212 3.430 ( -2.557 0.000 -2.339) 3.466 4.032 ( 1.218 0.000 1.651) 2.052 4.040 ( -4.011 0.000 -1.815) 4.403 4.200 ( 2.017 0.000 1.335) 2.418 4.233 ( -0.546 0.000 -1.945) 2.020 4.475 ( 0.513 0.000 1.742) 1.816 4.542 ( 0.946 0.000 -0.387) 1.022 4.833 ( -0.984 0.000 1.265) 1.602 4.902 ( 1.025 0.000 -0.060) 1.027 5.006 ( 0.745 0.000 0.558) 0.931 5.031 ( -0.503 0.000 -1.121) 1.229 5.051 ( 0.291 0.000 0.462) 0.546 5.088 ( 0.025 0.000 -0.702) 0.703 5.139 ( -0.223 0.000 0.344) 0.410 5.176 ( -0.152 0.000 -0.736) 0.752 5.447 ( 0.812 0.000 0.983) 1.275 5.482 ( -0.322 0.000 -0.650) 0.725 5.946 ( 0.383 0.000 -0.902) 0.980 5.977 ( -0.031 0.000 -1.614) 1.614 6.421 ( 1.787 0.000 2.129) 2.780 6.463 ( -0.181 0.000 -0.168) 0.247 6.830 ( -0.486 0.000 1.236) 1.328 6.833 ( 0.281 0.000 1.448) 1.475 7.320 ( -0.518 0.000 0.247) 0.574 7.438 ( 0.134 0.000 -3.312) 3.314 ======================= Grid point 82 (30/108) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -13.431 0.000 1.643) 13.531 0.663 ( -15.693 0.000 -0.414) 15.698 0.968 ( -7.801 0.000 0.658) 7.829 1.070 ( -20.818 0.000 -1.915) 20.906 1.122 ( -6.883 0.000 2.126) 7.204 1.262 ( -0.205 0.000 -5.600) 5.603 1.315 ( 5.486 0.000 -0.492) 5.508 1.317 ( 3.483 0.000 1.350) 3.736 1.517 ( 5.736 0.000 -0.537) 5.761 1.608 ( 4.341 0.000 0.047) 4.341 1.857 ( -0.697 0.000 1.990) 2.109 1.897 ( -1.813 0.000 -0.164) 1.821 1.992 ( -5.796 0.000 1.211) 5.921 2.064 ( -0.668 0.000 0.286) 0.727 2.149 ( -2.809 0.000 -2.652) 3.864 2.216 ( -6.976 0.000 0.718) 7.013 2.310 ( 7.208 0.000 1.260) 7.318 2.391 ( 1.484 0.000 -0.517) 1.571 2.658 ( -0.808 0.000 -1.908) 2.072 2.710 ( -2.963 0.000 -0.018) 2.963 2.711 ( 0.554 0.000 -0.327) 0.644 2.784 ( -0.996 0.000 1.041) 1.441 3.341 ( -4.564 0.000 -2.365) 5.140 3.453 ( 1.889 0.000 1.927) 2.699 3.952 ( -4.235 0.000 -0.895) 4.328 4.073 ( 1.460 0.000 2.301) 2.725 4.202 ( -0.617 0.000 -2.407) 2.484 4.240 ( 1.403 0.000 1.298) 1.911 4.509 ( 1.247 0.000 1.725) 2.129 4.567 ( 2.420 0.000 -0.811) 2.552 4.831 ( -0.457 0.000 1.170) 1.256 4.925 ( 0.997 0.000 0.845) 1.307 5.015 ( 0.376 0.000 -1.762) 1.802 5.025 ( 0.567 0.000 0.743) 0.935 5.067 ( 0.760 0.000 0.541) 0.933 5.083 ( 0.013 0.000 -0.453) 0.453 5.136 ( -0.565 0.000 0.388) 0.685 5.165 ( -0.260 0.000 -0.650) 0.700 5.469 ( -0.315 0.000 -0.756) 0.819 5.471 ( 0.872 0.000 0.653) 1.089 5.952 ( 1.071 0.000 -0.862) 1.375 5.973 ( 0.878 0.000 -0.784) 1.177 6.459 ( 0.211 0.000 -0.728) 0.758 6.475 ( 2.066 0.000 1.448) 2.523 6.825 ( -1.028 0.000 0.661) 1.222 6.846 ( -0.201 0.000 0.992) 1.012 7.306 ( -1.527 0.000 0.713) 1.685 7.393 ( -0.996 0.000 -5.165) 5.260 ======================= Grid point 83 (31/108) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( -9.247 0.000 11.462) 14.727 0.371 ( -17.712 0.000 4.400) 18.251 0.578 ( -28.528 0.000 5.278) 29.012 0.875 ( -5.219 0.000 -1.364) 5.394 0.888 ( -14.436 0.000 -0.258) 14.438 1.275 ( 3.236 0.000 -3.891) 5.061 1.424 ( 4.530 0.000 2.235) 5.051 1.446 ( 8.065 0.000 -1.154) 8.148 1.608 ( 4.641 0.000 0.093) 4.642 1.680 ( 2.973 0.000 0.250) 2.983 1.827 ( -6.306 0.000 0.520) 6.327 1.857 ( -1.150 0.000 1.620) 1.987 1.927 ( -0.187 0.000 -0.151) 0.240 2.030 ( -3.041 0.000 0.364) 3.063 2.073 ( -2.747 0.000 -0.558) 2.803 2.103 ( -6.718 0.000 0.950) 6.785 2.426 ( 3.828 0.000 1.400) 4.076 2.430 ( 3.418 0.000 -2.290) 4.114 2.631 ( -0.734 0.000 -1.193) 1.400 2.658 ( -1.441 0.000 -1.054) 1.785 2.710 ( -0.229 0.000 -0.887) 0.916 2.754 ( -2.302 0.000 -0.093) 2.304 3.249 ( -3.418 0.000 -0.908) 3.537 3.429 ( -5.516 0.000 -9.039) 10.589 3.884 ( -2.544 0.000 0.152) 2.549 4.117 ( 0.790 0.000 0.820) 1.138 4.171 ( -0.097 0.000 -1.343) 1.346 4.281 ( 1.770 0.000 1.010) 2.038 4.541 ( 0.625 0.000 1.273) 1.418 4.605 ( 2.574 0.000 -1.068) 2.786 4.837 ( -0.310 0.000 1.566) 1.596 4.962 ( 1.869 0.000 3.224) 3.726 5.015 ( 1.447 0.000 -1.973) 2.446 5.037 ( 0.095 0.000 0.464) 0.474 5.081 ( -0.193 0.000 0.118) 0.226 5.082 ( 0.207 0.000 0.619) 0.653 5.127 ( -0.576 0.000 0.075) 0.581 5.156 ( -0.092 0.000 -0.622) 0.629 5.461 ( 0.058 0.000 -0.311) 0.316 5.485 ( 0.273 0.000 0.216) 0.348 5.982 ( 2.714 0.000 4.091) 4.909 5.989 ( 0.988 0.000 0.454) 1.087 6.458 ( 0.544 0.000 -0.909) 1.060 6.511 ( 0.977 0.000 0.184) 0.994 6.809 ( -0.874 0.000 -0.241) 0.906 6.841 ( -0.636 0.000 -0.606) 0.879 7.280 ( -5.699 0.000 -8.498) 10.232 7.284 ( -1.576 0.000 0.679) 1.716 ======================= Grid point 84 (32/108) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( -1.152 7.499 6.402) 9.927 0.492 ( 5.275 15.008 7.239) 17.478 0.611 ( -2.226 12.330 13.515) 18.429 0.811 ( 3.387 1.923 -1.947) 4.354 0.823 ( -3.618 6.864 -1.750) 7.954 1.239 ( 0.457 -2.972 -4.149) 5.124 1.467 ( -0.949 0.482 0.715) 1.282 1.539 ( 1.729 0.106 0.108) 1.736 1.679 ( 0.892 1.441 0.451) 1.754 1.705 ( -0.672 0.982 -0.448) 1.272 1.832 ( -0.573 0.445 -0.806) 1.084 1.847 ( -0.447 0.656 -1.254) 1.484 1.969 ( -2.287 -2.460 1.264) 3.589 1.997 ( -1.570 1.442 -1.076) 2.388 2.025 ( 3.530 1.606 -1.552) 4.178 2.133 ( 1.808 1.546 -4.349) 4.957 2.451 ( -1.224 -0.108 -0.130) 1.236 2.485 ( 2.398 1.817 -0.637) 3.076 2.569 ( -0.270 -3.586 -1.474) 3.887 2.632 ( 0.559 -2.314 -2.140) 3.201 2.755 ( 1.448 3.639 -2.206) 4.495 2.784 ( -2.349 6.112 -4.134) 7.743 3.141 ( -4.389 0.012 4.082) 5.994 3.236 ( 2.220 0.881 0.759) 2.506 3.916 ( 0.741 2.863 2.065) 3.607 4.111 ( -1.990 1.838 -3.940) 4.782 4.222 ( 2.033 1.569 1.411) 2.931 4.265 ( -1.191 -0.816 0.193) 1.457 4.533 ( -0.794 -1.593 0.967) 2.026 4.615 ( 0.668 -1.142 -1.245) 1.817 4.827 ( -0.680 -1.910 1.945) 2.810 4.934 ( -0.379 -3.880 -0.422) 3.921 5.016 ( 0.778 -0.251 0.989) 1.283 5.040 ( -0.340 -1.113 0.229) 1.186 5.074 ( -0.759 0.455 -0.295) 0.933 5.089 ( 0.764 -0.823 -0.096) 1.126 5.130 ( 0.184 2.135 0.740) 2.267 5.191 ( 0.007 2.374 -0.816) 2.510 5.452 ( 0.446 -1.380 0.288) 1.478 5.471 ( -0.194 -1.746 -0.057) 1.758 6.023 ( 0.264 0.656 1.651) 1.796 6.060 ( 0.997 -1.639 2.982) 3.546 6.436 ( 0.633 -2.278 -0.426) 2.402 6.475 ( -0.708 -3.082 -1.036) 3.327 6.849 ( 0.248 2.775 -1.198) 3.033 6.898 ( -0.824 5.499 -4.364) 7.068 7.175 ( 3.044 -0.973 2.195) 3.877 7.256 ( -0.539 -1.164 -0.076) 1.285 ======================= Grid point 85 (33/108) ======================= q-point: ( 0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 10.986 -2.653 8.661) 14.239 0.635 ( 2.429 7.721 11.299) 13.899 0.756 ( 6.003 0.695 -4.595) 7.591 0.882 ( 10.322 5.658 -1.969) 11.935 0.965 ( 12.697 6.487 4.576) 14.975 1.203 ( 1.567 -1.093 -4.636) 5.014 1.402 ( -6.468 1.016 -0.311) 6.555 1.503 ( -5.727 -0.859 0.758) 5.840 1.665 ( -2.424 1.327 -0.300) 2.780 1.676 ( -2.183 2.387 0.464) 3.268 1.812 ( -0.415 0.359 -0.861) 1.021 1.847 ( 2.181 2.405 -1.194) 3.459 1.966 ( 1.027 -0.243 1.307) 1.680 2.002 ( 3.762 -0.125 0.209) 3.770 2.106 ( 5.278 -0.909 -0.138) 5.358 2.155 ( 3.833 0.132 -2.615) 4.641 2.396 ( -4.021 1.343 -0.269) 4.247 2.473 ( -4.027 1.392 -0.660) 4.311 2.589 ( 3.469 -2.900 -2.184) 5.022 2.630 ( 1.554 -2.966 -1.092) 3.522 2.699 ( -1.637 2.866 -1.334) 3.560 2.750 ( -0.265 2.508 -0.575) 2.587 3.195 ( 3.858 -1.005 1.356) 4.211 3.326 ( 6.107 1.321 0.065) 6.248 3.970 ( 2.326 1.700 3.103) 4.235 4.044 ( -1.299 2.101 -3.195) 4.039 4.233 ( -1.901 0.000 -0.661) 2.013 4.263 ( 1.129 1.402 1.175) 2.150 4.516 ( -1.973 -1.028 0.899) 2.400 4.602 ( -0.888 -0.825 -1.027) 1.589 4.823 ( -1.769 -2.447 1.913) 3.575 4.916 ( -0.939 -2.855 -0.612) 3.067 5.021 ( -0.560 0.108 0.052) 0.573 5.049 ( 0.656 -1.545 0.465) 1.742 5.065 ( 0.073 0.701 0.116) 0.714 5.097 ( 0.193 0.237 -0.240) 0.389 5.143 ( 0.288 1.903 0.862) 2.109 5.179 ( -0.282 1.675 -0.901) 1.922 5.458 ( -0.847 -1.416 -0.490) 1.721 5.466 ( 0.591 -1.368 0.439) 1.553 6.033 ( -0.729 0.683 1.632) 1.913 6.059 ( -2.591 -1.079 0.863) 2.937 6.435 ( -2.226 -3.017 -1.551) 4.058 6.445 ( 0.235 -2.314 0.238) 2.338 6.829 ( -1.003 3.890 -1.628) 4.335 6.861 ( 0.329 4.298 -0.847) 4.393 7.250 ( 1.222 -1.811 -0.684) 2.289 7.294 ( 5.976 -3.096 -0.134) 6.732 ======================= Grid point 86 (34/108) ======================= q-point: ( 0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 9.440 -2.264 6.230) 11.535 0.790 ( 7.330 0.717 3.890) 8.329 0.856 ( 8.209 -1.187 -0.633) 8.318 0.954 ( 4.013 0.420 -6.969) 8.053 1.192 ( 4.740 -0.388 1.395) 4.956 1.233 ( -3.647 1.116 -1.402) 4.064 1.274 ( 1.214 0.103 -1.204) 1.712 1.398 ( -5.611 -2.856 1.138) 6.398 1.626 ( -1.144 4.325 0.094) 4.475 1.663 ( 2.570 7.169 -0.002) 7.616 1.814 ( 0.951 1.050 -0.108) 1.421 1.887 ( 2.374 0.714 -0.045) 2.480 2.014 ( 1.738 -0.052 1.539) 2.322 2.100 ( 5.007 -1.815 1.460) 5.523 2.169 ( 1.574 -3.855 0.591) 4.206 2.206 ( 3.104 0.555 -2.789) 4.209 2.335 ( -2.001 2.266 -0.598) 3.081 2.369 ( -4.901 3.430 0.072) 5.983 2.610 ( 1.374 -4.180 -2.617) 5.120 2.668 ( 2.983 -1.390 -0.454) 3.322 2.692 ( 0.569 -1.551 -0.229) 1.668 2.743 ( -0.816 0.520 1.220) 1.557 3.258 ( 2.420 -2.977 0.067) 3.837 3.417 ( 3.979 -0.455 -0.656) 4.059 4.004 ( 0.601 1.752 -1.476) 2.368 4.059 ( 3.152 1.220 2.756) 4.361 4.188 ( -2.198 0.379 -1.403) 2.635 4.281 ( 0.146 1.356 0.263) 1.389 4.488 ( -2.005 -0.062 0.995) 2.239 4.572 ( -1.324 -0.063 -0.735) 1.516 4.804 ( -1.903 -3.303 1.502) 4.097 4.896 ( -0.670 -2.061 -0.447) 2.213 5.009 ( -0.573 0.409 -0.279) 0.757 5.057 ( -0.087 0.272 0.603) 0.667 5.077 ( 0.467 0.359 -0.112) 0.599 5.094 ( 0.017 0.640 0.021) 0.641 5.142 ( -0.711 0.787 -0.197) 1.079 5.179 ( 0.810 1.098 -0.086) 1.367 5.437 ( -0.907 -0.880 -0.318) 1.303 5.478 ( 0.376 -1.166 0.175) 1.238 6.011 ( -2.784 0.322 0.022) 2.803 6.028 ( -1.140 0.523 0.591) 1.387 6.380 ( -2.111 -2.504 -0.858) 3.386 6.448 ( -0.255 -2.225 0.422) 2.279 6.811 ( 0.040 2.769 -0.352) 2.791 6.869 ( 0.667 4.334 0.166) 4.389 7.269 ( 1.659 -2.158 -0.664) 2.802 7.376 ( 3.808 -3.586 -1.076) 5.340 ======================= Grid point 87 (35/108) ======================= q-point: ( 0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.943 1.283 3.161) 3.539 0.921 ( 5.654 -2.236 -2.437) 6.550 0.960 ( 0.955 1.128 -1.310) 1.975 0.986 ( 4.328 1.626 -1.423) 4.838 1.090 ( -0.050 0.868 -1.246) 1.520 1.242 ( -3.646 -6.919 -0.688) 7.851 1.257 ( -0.328 -3.820 1.999) 4.324 1.344 ( -3.338 -6.717 0.941) 7.560 1.653 ( 3.066 7.486 -0.478) 8.104 1.759 ( 6.016 10.647 -1.688) 12.345 1.835 ( 0.977 1.222 0.624) 1.684 1.917 ( 1.150 0.258 -0.203) 1.196 2.025 ( -2.000 -0.717 1.571) 2.643 2.144 ( -5.020 0.762 0.699) 5.125 2.148 ( 0.248 -0.910 -0.308) 0.992 2.219 ( 0.235 -0.296 -2.011) 2.047 2.283 ( 1.654 -2.081 0.477) 2.701 2.396 ( 2.207 2.052 0.356) 3.034 2.616 ( 2.152 -4.999 -0.911) 5.518 2.684 ( 0.133 -1.526 -1.079) 1.874 2.721 ( 1.676 -1.844 1.014) 2.690 2.736 ( -1.674 -1.415 1.527) 2.671 3.289 ( 1.081 -4.537 0.701) 4.716 3.448 ( 1.052 -1.879 -1.857) 2.844 4.017 ( 1.451 1.761 -0.078) 2.283 4.128 ( -2.395 1.060 -1.491) 3.014 4.140 ( 2.411 0.088 2.045) 3.163 4.273 ( -0.514 1.455 -1.011) 1.844 4.470 ( -1.035 0.523 1.224) 1.686 4.550 ( -0.398 0.509 -0.496) 0.815 4.790 ( -1.130 -3.708 1.488) 4.152 4.883 ( -0.205 -1.847 -0.568) 1.944 5.002 ( 0.031 0.565 0.088) 0.572 5.056 ( -0.392 0.748 -0.354) 0.916 5.073 ( -0.176 1.810 0.194) 1.829 5.101 ( 0.216 0.615 -0.154) 0.670 5.131 ( -0.168 -0.549 0.080) 0.580 5.188 ( 0.212 0.764 -0.578) 0.981 5.428 ( -0.098 -0.540 0.462) 0.718 5.481 ( 0.006 -0.919 -0.212) 0.943 5.971 ( -1.316 0.945 -0.399) 1.668 6.006 ( -0.916 0.609 -0.954) 1.456 6.360 ( -0.137 -2.410 1.092) 2.649 6.445 ( -0.364 -2.144 0.183) 2.182 6.820 ( 0.515 2.091 1.056) 2.399 6.881 ( 0.211 4.048 0.472) 4.081 7.290 ( 1.011 -2.391 -0.181) 2.603 7.408 ( 1.452 -3.617 -1.896) 4.334 ======================= Grid point 88 (36/108) ======================= q-point: (-0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -11.603 5.889 -1.552) 13.104 0.854 ( -10.595 -2.784 -1.838) 11.108 1.007 ( 1.137 -0.866 0.265) 1.453 1.071 ( 6.968 0.248 -1.653) 7.166 1.170 ( 5.025 0.048 1.197) 5.165 1.201 ( 0.428 -3.484 0.508) 3.547 1.250 ( -1.508 -5.959 0.127) 6.149 1.334 ( 0.188 -6.520 0.710) 6.561 1.651 ( -3.089 9.063 -0.151) 9.576 1.728 ( -6.574 10.152 -2.779) 12.410 1.851 ( -0.348 0.592 1.234) 1.413 1.919 ( -0.625 0.019 -0.591) 0.860 2.017 ( 0.223 -0.960 1.416) 1.726 2.098 ( -0.701 1.990 -0.139) 2.115 2.149 ( 0.548 -2.247 -0.903) 2.483 2.217 ( 2.253 0.488 -0.740) 2.421 2.332 ( 1.758 0.340 1.674) 2.451 2.386 ( -2.682 0.302 -0.648) 2.776 2.665 ( -0.099 -3.176 -0.860) 3.292 2.673 ( 2.632 -2.388 -0.647) 3.612 2.711 ( -2.337 -2.215 1.290) 3.469 2.754 ( 0.790 -1.459 1.613) 2.314 3.307 ( -0.696 -6.324 1.267) 6.487 3.435 ( 0.257 -1.410 -2.271) 2.685 4.035 ( -1.210 0.694 0.198) 1.409 4.066 ( -1.295 2.341 -0.366) 2.700 4.198 ( 1.861 -0.044 1.523) 2.405 4.249 ( -0.525 1.454 -2.005) 2.532 4.476 ( 0.155 0.156 1.457) 1.474 4.551 ( 1.052 0.688 -0.562) 1.377 4.792 ( -0.392 -3.291 1.568) 3.667 4.881 ( 0.706 -2.367 -0.680) 2.562 5.011 ( 0.500 0.500 0.589) 0.920 5.038 ( -0.690 0.923 -0.946) 1.491 5.079 ( 0.376 1.827 0.247) 1.882 5.094 ( -0.458 0.577 -0.398) 0.837 5.139 ( 0.388 -0.020 0.432) 0.581 5.178 ( -0.223 0.239 -0.926) 0.982 5.441 ( 0.653 -0.591 0.936) 1.285 5.474 ( -0.364 -0.828 -0.575) 1.071 5.958 ( 0.282 1.216 -0.674) 1.418 5.987 ( 0.133 0.937 -1.318) 1.622 6.391 ( 1.628 -2.704 2.045) 3.761 6.440 ( -0.129 -2.144 -0.321) 2.172 6.844 ( 0.481 2.217 1.907) 2.963 6.882 ( -0.436 3.384 0.223) 3.420 7.298 ( -0.286 -2.087 0.409) 2.146 7.393 ( -0.597 -3.922 -2.783) 4.846 ======================= Grid point 89 (37/108) ======================= q-point: (-0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -11.308 7.267 -0.569) 13.454 0.589 ( -16.285 -2.901 -0.430) 16.547 0.949 ( -6.569 -1.873 0.204) 6.834 1.124 ( -5.077 -0.318 1.929) 5.441 1.152 ( -13.972 5.432 -0.284) 14.994 1.214 ( 1.688 -3.620 -2.695) 4.818 1.305 ( 8.563 0.008 -1.737) 8.737 1.318 ( 4.206 -0.341 0.973) 4.330 1.606 ( -0.073 7.338 -0.072) 7.339 1.646 ( 0.988 3.714 -0.572) 3.886 1.854 ( -0.740 -0.285 1.467) 1.668 1.895 ( -1.166 -0.509 -0.848) 1.529 2.009 ( -3.315 0.723 1.530) 3.722 2.071 ( -2.335 0.754 1.055) 2.671 2.119 ( -2.411 -2.038 -1.697) 3.584 2.260 ( -2.701 0.577 -0.361) 2.786 2.337 ( 3.457 3.436 -0.087) 4.875 2.406 ( 4.128 2.089 0.685) 4.677 2.626 ( -1.434 -4.254 -2.103) 4.957 2.675 ( -1.814 -0.613 -0.300) 1.938 2.717 ( 1.346 -1.128 0.006) 1.756 2.779 ( 0.116 -0.289 1.652) 1.681 3.273 ( -3.251 -5.633 -0.168) 6.506 3.424 ( -0.722 -2.835 -0.896) 3.060 3.970 ( -3.744 1.964 -0.635) 4.275 4.094 ( 1.842 1.903 2.098) 3.379 4.216 ( -0.523 1.260 -2.294) 2.669 4.238 ( 1.048 -0.086 1.046) 1.484 4.499 ( 0.819 -0.772 1.453) 1.838 4.573 ( 2.114 0.323 -0.887) 2.315 4.802 ( -0.097 -2.501 1.369) 2.853 4.898 ( 1.565 -3.002 -0.064) 3.386 5.008 ( -0.723 0.644 -0.785) 1.246 5.036 ( 0.701 0.423 0.349) 0.890 5.078 ( -0.626 0.115 0.190) 0.664 5.092 ( 0.451 1.283 -0.057) 1.361 5.137 ( -0.692 0.298 -0.308) 0.814 5.178 ( 0.811 1.007 -0.182) 1.306 5.457 ( -0.071 -1.093 -0.226) 1.118 5.463 ( 0.152 -0.890 0.160) 0.917 5.963 ( 0.773 1.149 -0.492) 1.470 5.991 ( 1.269 1.595 -0.550) 2.111 6.434 ( 0.396 -2.435 -0.484) 2.514 6.443 ( 1.798 -2.699 1.104) 3.426 6.868 ( 0.141 3.539 0.457) 3.571 6.874 ( -0.154 2.406 0.804) 2.541 7.289 ( -1.338 -1.596 0.613) 2.171 7.337 ( -2.542 -4.458 -3.536) 6.232 ======================= Grid point 90 (38/108) ======================= q-point: (-0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( -10.300 4.456 2.664) 11.535 0.412 ( -6.287 10.296 7.254) 14.077 0.795 ( -19.706 12.370 2.970) 23.456 0.843 ( -6.605 0.868 -0.888) 6.721 0.973 ( -10.107 4.995 -0.833) 11.305 1.243 ( 2.355 -3.213 -2.095) 4.501 1.421 ( 4.621 -0.148 1.253) 4.790 1.451 ( 8.057 0.580 -1.045) 8.145 1.639 ( 2.875 3.153 -0.017) 4.267 1.690 ( 2.580 0.750 0.030) 2.687 1.849 ( -1.069 -0.709 0.771) 1.496 1.867 ( -0.850 0.026 -1.028) 1.334 1.971 ( -1.071 1.659 1.200) 2.310 2.038 ( -2.439 -0.298 0.492) 2.506 2.050 ( -3.260 0.278 -1.235) 3.497 2.174 ( -3.114 3.444 -2.129) 5.108 2.426 ( 4.183 0.665 0.727) 4.298 2.461 ( 1.389 1.650 -1.566) 2.666 2.601 ( 0.608 -2.808 -2.203) 3.620 2.638 ( -1.116 -1.172 -0.746) 1.782 2.737 ( 1.931 1.939 -1.317) 3.037 2.791 ( 0.535 3.288 0.538) 3.374 3.217 ( -2.747 -3.151 0.586) 4.221 3.335 ( -8.591 -4.748 -2.984) 10.259 3.915 ( -1.999 3.029 0.383) 3.649 4.154 ( 2.206 2.233 0.507) 3.180 4.181 ( -0.386 1.009 -1.813) 2.111 4.264 ( 0.423 -0.858 1.242) 1.568 4.525 ( 0.498 -1.474 1.226) 1.981 4.602 ( 2.037 -0.572 -1.232) 2.448 4.815 ( 0.007 -1.987 1.531) 2.509 4.927 ( 1.207 -3.723 0.399) 3.934 4.997 ( 0.147 0.573 0.132) 0.606 5.045 ( -0.290 -0.493 0.416) 0.707 5.075 ( 0.200 0.116 0.384) 0.448 5.092 ( -0.436 -0.283 -0.425) 0.672 5.125 ( -0.176 1.369 0.117) 1.386 5.190 ( 0.678 2.160 -0.347) 2.291 5.449 ( -0.082 -1.222 -0.301) 1.261 5.470 ( 0.065 -1.440 0.226) 1.459 5.984 ( 1.244 0.707 2.098) 2.540 6.014 ( 1.259 2.065 0.632) 2.500 6.433 ( 0.532 -2.195 -0.976) 2.460 6.477 ( 0.947 -3.024 0.120) 3.171 6.857 ( 0.064 2.563 -1.253) 2.853 6.900 ( 1.963 4.791 -0.239) 5.183 7.224 ( -5.263 -3.219 -3.261) 6.978 7.274 ( -1.736 -1.328 0.583) 2.262 ======================= Grid point 91 (39/108) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -0.857 13.086 -2.719) 13.393 0.781 ( 5.194 8.308 -2.235) 10.050 0.831 ( -2.932 9.242 0.962) 9.744 0.879 ( 1.043 9.160 7.981) 12.194 1.009 ( -1.502 9.261 -1.149) 9.452 1.158 ( -0.146 -4.291 -0.517) 4.325 1.467 ( -0.099 -0.745 1.472) 1.653 1.544 ( 0.394 0.099 -0.024) 0.407 1.723 ( 0.048 0.707 -0.095) 0.715 1.728 ( 0.175 3.154 -0.575) 3.211 1.818 ( -0.552 -0.939 0.068) 1.092 1.842 ( 1.182 -1.064 -0.705) 1.740 1.913 ( -1.466 -2.681 2.104) 3.710 2.019 ( 0.188 -0.293 -0.803) 0.875 2.054 ( -0.553 3.303 -0.887) 3.464 2.163 ( 1.131 1.195 -3.721) 4.068 2.437 ( -0.728 -1.365 -0.333) 1.582 2.495 ( 2.277 -1.869 0.702) 3.028 2.537 ( -1.286 1.250 -1.144) 2.127 2.579 ( -0.251 -2.410 -0.945) 2.601 2.828 ( 0.463 3.540 -2.454) 4.332 2.887 ( -1.433 4.085 -4.351) 6.138 3.143 ( -1.735 0.088 4.559) 4.879 3.253 ( 2.834 0.516 1.176) 3.112 3.999 ( 0.273 5.199 0.745) 5.259 4.150 ( -1.418 2.039 -3.710) 4.464 4.253 ( 1.054 1.036 1.362) 2.010 4.259 ( -0.175 0.666 1.100) 1.298 4.485 ( -0.434 -3.127 1.127) 3.352 4.581 ( 0.457 -2.166 -1.369) 2.603 4.775 ( -0.676 -3.091 1.386) 3.454 4.842 ( 0.284 -5.153 -0.463) 5.182 5.016 ( 0.157 0.117 -0.157) 0.251 5.028 ( -0.553 -0.491 -0.385) 0.834 5.064 ( 0.775 0.576 1.358) 1.666 5.107 ( -0.184 1.178 -0.061) 1.194 5.174 ( 0.385 2.078 0.665) 2.216 5.233 ( -0.287 1.731 -0.788) 1.923 5.413 ( 0.306 -2.427 0.185) 2.453 5.424 ( -0.174 -2.657 -0.026) 2.663 6.036 ( 0.263 1.280 1.791) 2.217 6.082 ( -0.139 2.344 0.378) 2.379 6.383 ( 0.336 -2.755 -0.397) 2.804 6.401 ( -0.421 -3.833 -0.803) 3.939 6.912 ( 0.523 3.096 -0.112) 3.141 6.986 ( -0.945 3.439 -2.487) 4.348 7.151 ( 1.426 -1.379 1.523) 2.501 7.222 ( -0.582 -2.022 -0.278) 2.123 ======================= Grid point 92 (40/108) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 3.404 8.510 2.009) 9.383 0.768 ( 1.914 1.764 -6.428) 6.935 0.823 ( -0.230 8.987 6.957) 11.368 0.989 ( 0.925 4.133 -3.453) 5.464 1.102 ( 9.000 6.136 3.096) 11.324 1.176 ( 2.977 -1.228 0.390) 3.244 1.425 ( -5.836 0.729 1.066) 5.977 1.483 ( -6.322 -0.745 -0.109) 6.367 1.712 ( -0.027 3.546 -0.413) 3.570 1.740 ( 1.189 3.431 0.376) 3.651 1.813 ( 0.778 -0.475 -0.804) 1.215 1.870 ( 1.980 0.044 -0.295) 2.002 1.938 ( 1.932 -2.275 1.928) 3.553 2.026 ( 1.494 1.565 0.350) 2.191 2.066 ( 2.345 -0.482 -1.041) 2.610 2.170 ( 3.266 0.555 -3.628) 4.913 2.416 ( -1.864 0.292 1.224) 2.249 2.480 ( -2.138 -1.133 -1.384) 2.787 2.559 ( 2.238 0.287 -0.682) 2.357 2.568 ( 0.472 -2.962 -1.012) 3.165 2.763 ( -5.319 2.889 -1.873) 6.336 2.798 ( -3.018 2.590 -1.164) 4.144 3.173 ( -0.012 -1.309 2.883) 3.166 3.333 ( 4.140 -0.831 0.057) 4.223 4.025 ( 1.220 3.759 1.523) 4.235 4.097 ( -0.531 2.872 -3.012) 4.195 4.239 ( -1.570 0.692 0.255) 1.734 4.294 ( 1.184 1.615 1.012) 2.243 4.485 ( -0.664 -2.009 1.212) 2.439 4.572 ( 0.039 -2.145 -1.452) 2.591 4.764 ( -1.926 -3.202 1.191) 3.922 4.837 ( -0.318 -4.719 -0.279) 4.738 5.022 ( 0.090 -0.034 -0.235) 0.254 5.027 ( 0.999 -0.467 -0.029) 1.103 5.089 ( 0.432 1.661 0.824) 1.904 5.105 ( 0.378 0.445 -0.110) 0.594 5.181 ( -0.614 1.659 0.631) 1.878 5.213 ( -0.713 1.691 -0.633) 1.941 5.419 ( -0.177 -2.315 -0.345) 2.347 5.426 ( 0.804 -2.376 0.299) 2.526 6.048 ( -0.754 1.156 1.701) 2.190 6.067 ( -1.673 1.432 0.001) 2.202 6.363 ( -1.910 -3.572 -0.931) 4.156 6.394 ( 0.221 -2.675 -0.182) 2.690 6.915 ( -0.781 4.122 -0.752) 4.263 6.946 ( -0.203 3.762 -0.681) 3.829 7.201 ( 1.268 -2.705 -0.340) 3.007 7.231 ( 2.892 -2.923 0.529) 4.146 ======================= Grid point 93 (41/108) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 10.755 0.416 3.729) 11.391 0.783 ( 6.526 0.119 -5.984) 8.855 0.912 ( 3.435 4.735 5.107) 7.765 0.968 ( 1.675 1.032 -3.974) 4.434 1.180 ( -1.016 -0.020 0.034) 1.016 1.235 ( 0.402 -3.513 1.265) 3.756 1.298 ( -8.349 3.505 -0.170) 9.057 1.356 ( -7.495 -0.565 0.291) 7.522 1.728 ( 2.385 5.298 -0.535) 5.835 1.804 ( 5.542 5.212 0.138) 7.609 1.835 ( 2.617 1.235 -0.142) 2.897 1.899 ( 1.820 0.637 -0.615) 2.024 1.996 ( 1.897 -2.270 1.864) 3.496 2.087 ( 3.716 0.761 0.994) 3.921 2.092 ( 1.158 -3.028 0.249) 3.252 2.198 ( 2.729 -0.783 -2.040) 3.496 2.378 ( -5.360 1.919 0.781) 5.746 2.428 ( -0.371 0.760 -1.005) 1.314 2.537 ( -1.666 -1.935 -2.772) 3.769 2.599 ( 1.087 -4.362 0.965) 4.598 2.683 ( -1.903 0.275 -0.672) 2.037 2.743 ( -2.930 -0.385 1.101) 3.154 3.182 ( -1.031 -4.435 1.151) 4.696 3.377 ( 1.708 -3.682 -1.710) 4.404 4.050 ( 0.654 2.769 -0.229) 2.855 4.100 ( 2.128 2.655 0.660) 3.466 4.208 ( -1.786 1.825 -0.375) 2.581 4.314 ( 0.423 1.772 0.104) 1.824 4.485 ( -0.612 -0.323 1.164) 1.354 4.559 ( 0.149 -1.375 -1.363) 1.942 4.735 ( -2.300 -3.310 1.068) 4.170 4.829 ( -0.364 -4.332 -0.191) 4.352 5.019 ( -0.183 0.603 -0.145) 0.646 5.051 ( 1.506 -0.460 0.339) 1.611 5.091 ( 0.058 1.097 -0.373) 1.160 5.117 ( 0.463 1.200 0.162) 1.296 5.157 ( -1.700 0.601 -0.467) 1.863 5.211 ( 0.145 1.886 0.448) 1.944 5.411 ( -0.319 -1.724 -0.283) 1.776 5.444 ( 0.838 -2.030 0.139) 2.201 6.026 ( -2.147 1.171 -0.035) 2.446 6.047 ( -1.055 1.452 0.641) 1.905 6.319 ( -1.931 -3.188 -0.393) 3.747 6.394 ( -0.135 -2.850 0.043) 2.854 6.887 ( -0.747 4.137 -0.588) 4.245 6.957 ( 0.626 4.014 0.441) 4.086 7.211 ( 1.042 -3.293 -0.705) 3.525 7.292 ( 2.753 -4.193 0.091) 5.017 ======================= Grid point 94 (42/108) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 7.659 -1.856 -4.441) 9.046 0.886 ( 7.452 -0.132 1.308) 7.567 0.967 ( 1.210 0.524 -3.281) 3.536 1.042 ( 4.457 1.174 4.871) 6.706 1.105 ( -4.130 -1.891 -1.550) 4.799 1.154 ( -5.642 4.183 -0.793) 7.068 1.209 ( -3.983 -3.928 1.745) 5.860 1.243 ( -5.280 -1.272 0.963) 5.516 1.776 ( 2.144 3.850 0.767) 4.473 1.861 ( 2.228 0.880 -0.809) 2.529 1.915 ( 2.526 3.107 -0.981) 4.123 1.938 ( 4.749 2.812 -0.420) 5.535 2.016 ( -1.956 -0.170 1.094) 2.248 2.093 ( -0.267 -3.103 -0.369) 3.136 2.160 ( 1.646 0.320 1.072) 1.990 2.225 ( 0.853 0.469 -0.985) 1.385 2.276 ( -4.132 1.412 1.571) 4.641 2.433 ( -1.084 1.885 -0.291) 2.194 2.492 ( 2.075 -6.687 -1.112) 7.089 2.603 ( -1.004 -6.115 -0.227) 6.201 2.678 ( 0.434 -1.662 1.029) 2.003 2.716 ( -1.535 -1.222 1.026) 2.215 3.169 ( -1.062 -6.994 0.660) 7.105 3.373 ( 0.769 -5.669 -3.011) 6.465 4.061 ( 0.725 2.543 0.088) 2.646 4.150 ( 1.322 1.179 1.698) 2.454 4.172 ( -1.110 3.308 -0.790) 3.577 4.310 ( -0.275 2.059 -1.068) 2.336 4.485 ( -0.612 0.750 1.004) 1.395 4.555 ( 0.716 -0.211 -1.076) 1.310 4.713 ( -1.331 -3.725 1.387) 4.192 4.819 ( -0.286 -4.284 -0.677) 4.347 5.017 ( 0.058 0.910 0.280) 0.953 5.074 ( 0.102 0.879 -0.193) 0.906 5.095 ( 1.194 0.240 0.111) 1.223 5.120 ( -0.105 0.955 -0.002) 0.961 5.129 ( -0.932 0.636 -0.145) 1.138 5.210 ( -0.372 1.443 -0.696) 1.645 5.409 ( 0.145 -1.389 0.467) 1.473 5.455 ( 0.258 -1.591 -0.117) 1.615 5.996 ( -0.923 1.404 -0.117) 1.684 6.029 ( -0.907 1.759 -0.466) 2.034 6.301 ( -0.362 -3.174 1.030) 3.357 6.390 ( -0.214 -3.019 -0.186) 3.032 6.884 ( 0.260 3.659 0.672) 3.729 6.965 ( -0.072 3.889 -0.028) 3.890 7.226 ( 0.916 -3.632 0.064) 3.747 7.320 ( 0.782 -4.540 -0.914) 4.697 ======================= Grid point 95 (43/108) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -10.685 0.006 -3.609) 11.278 0.874 ( -6.350 5.799 -1.053) 8.663 0.978 ( 0.087 -1.055 -0.703) 1.271 1.056 ( 1.755 -1.283 0.561) 2.245 1.123 ( 0.124 -1.573 0.825) 1.781 1.188 ( 4.453 -3.737 0.577) 5.842 1.209 ( 4.736 0.265 1.418) 4.951 1.220 ( 2.998 0.196 0.344) 3.024 1.800 ( -0.928 3.840 1.764) 4.326 1.862 ( -1.575 1.518 -0.869) 2.353 1.905 ( -4.333 5.272 -1.217) 6.932 1.927 ( -4.600 2.039 -1.612) 5.284 1.999 ( 0.684 -1.523 1.312) 2.123 2.079 ( -0.273 -2.137 -0.999) 2.375 2.152 ( -2.476 1.641 1.402) 3.285 2.217 ( 1.494 -0.425 -0.304) 1.583 2.312 ( 2.555 -1.625 1.408) 3.339 2.422 ( 2.454 2.364 -0.742) 3.487 2.566 ( -0.936 -6.117 -1.491) 6.365 2.574 ( 3.582 -5.917 1.306) 7.039 2.692 ( -0.203 -0.464 0.796) 0.944 2.713 ( 0.779 -2.405 1.353) 2.867 3.159 ( -0.933 -7.885 0.695) 7.971 3.360 ( 1.265 -5.834 -3.499) 6.919 4.067 ( -0.914 2.624 0.724) 2.871 4.132 ( -0.846 3.911 -0.339) 4.016 4.204 ( 1.506 0.730 1.604) 2.318 4.287 ( -0.622 2.178 -2.119) 3.102 4.481 ( -0.713 0.316 0.865) 1.165 4.562 ( 1.013 0.245 -0.842) 1.340 4.717 ( 0.175 -3.840 1.705) 4.205 4.810 ( 0.317 -4.399 -1.112) 4.549 5.026 ( 0.283 0.868 0.698) 1.150 5.061 ( -0.705 1.071 -0.699) 1.461 5.102 ( -0.708 0.938 0.208) 1.194 5.118 ( -0.333 1.233 -0.232) 1.298 5.140 ( 1.688 0.125 0.706) 1.834 5.189 ( -0.402 0.907 -1.504) 1.802 5.422 ( 0.350 -1.346 0.879) 1.645 5.450 ( -0.523 -1.519 -0.404) 1.656 5.993 ( 0.475 2.136 -0.129) 2.192 6.014 ( 0.225 1.779 -0.792) 1.961 6.324 ( 1.246 -3.559 1.803) 4.180 6.385 ( 0.065 -3.053 -0.634) 3.118 6.905 ( 0.904 3.420 1.571) 3.871 6.954 ( -0.706 3.341 -0.704) 3.486 7.241 ( 0.176 -3.280 0.861) 3.396 7.303 ( -1.295 -4.478 -1.783) 4.991 ======================= Grid point 96 (44/108) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -8.493 6.272 -1.928) 10.733 0.728 ( -7.671 10.263 -0.328) 12.817 0.914 ( -4.675 -1.348 -0.683) 4.913 1.105 ( 1.077 -1.019 0.963) 1.768 1.127 ( 0.585 -3.922 -0.188) 3.970 1.226 ( -4.617 0.649 0.927) 4.754 1.311 ( 6.244 0.461 0.257) 6.267 1.331 ( 8.547 2.145 -0.555) 8.830 1.751 ( -5.107 6.147 -1.088) 8.066 1.773 ( -3.484 7.759 0.949) 8.558 1.848 ( -1.313 -0.037 0.255) 1.338 1.873 ( -1.172 -1.591 -1.752) 2.641 1.991 ( -2.910 -3.180 1.629) 4.608 2.058 ( -1.572 -0.614 0.106) 1.691 2.125 ( -2.408 1.813 1.203) 3.245 2.231 ( 0.063 -2.443 -1.418) 2.825 2.364 ( 2.806 -0.695 0.822) 3.005 2.487 ( 1.135 2.235 0.319) 2.527 2.526 ( 2.230 -3.642 -2.516) 4.957 2.623 ( -0.658 -3.920 0.981) 4.094 2.717 ( 3.941 1.140 -0.882) 4.196 2.771 ( 3.320 -0.432 2.354) 4.092 3.148 ( -0.939 -6.165 0.908) 6.302 3.342 ( -0.419 -5.011 -3.178) 5.949 4.037 ( -2.343 4.589 0.099) 5.153 4.145 ( 1.542 2.988 1.321) 3.612 4.238 ( 0.660 0.182 1.623) 1.762 4.251 ( -0.783 2.004 -2.749) 3.491 4.478 ( -0.504 -1.370 0.841) 1.685 4.573 ( 1.044 -0.488 -0.916) 1.472 4.743 ( 0.685 -3.165 1.550) 3.590 4.815 ( 1.263 -4.781 -0.789) 5.008 5.031 ( -0.371 1.087 0.040) 1.149 5.044 ( -0.500 0.518 0.088) 0.725 5.086 ( -1.411 0.791 -0.163) 1.626 5.109 ( -0.293 0.423 -0.104) 0.525 5.155 ( 0.348 1.311 -0.615) 1.489 5.200 ( 1.921 1.096 0.237) 2.224 5.428 ( -0.485 -1.773 -0.117) 1.841 5.435 ( -0.524 -1.784 0.142) 1.864 5.999 ( 0.543 2.280 -0.332) 2.367 6.033 ( 1.867 2.406 0.089) 3.046 6.366 ( 1.425 -3.789 1.213) 4.225 6.383 ( 0.670 -3.129 -0.805) 3.299 6.928 ( -0.685 2.776 -0.543) 2.910 6.945 ( 1.442 3.590 1.062) 4.012 7.245 ( -1.898 -2.926 -1.116) 3.662 7.247 ( -1.752 -3.576 0.106) 3.983 ======================= Grid point 97 (45/108) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 2.757 14.930 -3.215) 15.519 0.648 ( -1.251 12.087 5.099) 13.178 0.844 ( -0.901 0.816 -2.851) 3.100 1.042 ( -12.957 8.135 0.826) 15.321 1.077 ( -4.096 5.370 -0.408) 6.766 1.159 ( -0.117 -3.888 1.286) 4.097 1.413 ( 4.484 -0.786 0.780) 4.618 1.472 ( 7.071 1.194 -0.333) 7.179 1.716 ( 0.500 2.074 -0.003) 2.133 1.734 ( -0.918 5.774 -0.266) 5.853 1.829 ( -1.031 -1.231 0.066) 1.607 1.847 ( -0.437 -1.381 -0.883) 1.696 1.945 ( -3.806 -3.322 2.023) 5.441 2.033 ( -1.050 0.302 -0.341) 1.145 2.087 ( -2.473 2.485 0.358) 3.524 2.195 ( -1.062 -0.586 -2.747) 3.003 2.431 ( 3.263 -0.670 1.426) 3.624 2.457 ( -0.784 -2.068 -1.939) 2.941 2.570 ( 0.912 -0.148 -0.578) 1.090 2.595 ( -1.980 -2.655 -0.240) 3.320 2.800 ( 5.623 4.097 -2.571) 7.417 2.855 ( 4.483 2.673 0.855) 5.289 3.148 ( -1.166 -3.091 2.607) 4.209 3.273 ( -3.859 -2.170 -2.088) 4.895 4.004 ( -1.266 5.607 0.128) 5.750 4.194 ( 1.665 1.949 0.278) 2.578 4.210 ( -0.328 1.791 -1.743) 2.520 4.257 ( -0.196 0.044 1.443) 1.457 4.480 ( -0.247 -2.891 0.972) 3.060 4.580 ( 0.897 -1.508 -1.168) 2.108 4.765 ( 0.305 -2.844 1.327) 3.153 4.833 ( 1.186 -5.199 -0.438) 5.350 5.021 ( -0.338 1.016 -0.318) 1.117 5.043 ( -0.412 0.737 1.007) 1.315 5.054 ( -1.236 -1.076 -0.588) 1.741 5.108 ( -0.037 1.130 0.189) 1.146 5.161 ( 0.683 1.863 -0.045) 1.985 5.230 ( 1.117 1.680 -0.047) 2.018 5.414 ( -0.407 -2.113 -0.254) 2.167 5.429 ( -0.487 -2.422 0.181) 2.477 6.012 ( 0.752 1.967 0.839) 2.267 6.066 ( 1.404 2.905 0.358) 3.246 6.379 ( 0.601 -2.814 -0.719) 2.966 6.401 ( 0.864 -4.090 0.094) 4.182 6.912 ( -0.152 2.714 -0.732) 2.815 6.985 ( 1.983 3.454 0.016) 3.983 7.171 ( -3.258 -2.175 -1.047) 4.054 7.237 ( -1.141 -2.138 0.606) 2.498 ======================= Grid point 98 (46/108) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.250 10.834 -4.436) 11.709 0.829 ( 1.378 0.877 -5.508) 5.745 1.028 ( -2.287 1.885 2.475) 3.861 1.068 ( 4.273 8.007 3.627) 9.773 1.097 ( -3.735 4.314 2.154) 6.100 1.187 ( 1.413 6.389 -1.882) 6.808 1.434 ( 0.245 -2.334 2.158) 3.188 1.524 ( -0.822 -2.546 -0.126) 2.678 1.734 ( 0.550 0.458 -0.359) 0.800 1.779 ( -0.540 1.235 -0.513) 1.442 1.823 ( 0.892 -0.398 0.325) 1.029 1.835 ( -0.101 2.273 -0.115) 2.279 1.878 ( -0.847 0.772 2.228) 2.506 2.026 ( 0.121 1.118 -0.824) 1.395 2.125 ( -0.163 2.745 -0.148) 2.754 2.181 ( 0.878 0.698 -1.480) 1.857 2.411 ( -0.256 -0.798 0.363) 0.914 2.462 ( 0.845 -1.332 1.652) 2.284 2.513 ( -0.856 -2.550 -0.238) 2.700 2.575 ( 0.076 0.726 -0.368) 0.818 2.895 ( -0.777 2.946 -2.540) 3.967 2.966 ( -0.368 3.984 -3.838) 5.544 3.137 ( -1.053 -0.916 4.259) 4.482 3.250 ( 2.507 -0.852 0.835) 2.777 4.122 ( 0.015 6.598 -0.683) 6.633 4.192 ( -1.182 1.991 -2.869) 3.687 4.270 ( -0.780 1.381 1.432) 2.137 4.292 ( 1.698 2.090 1.382) 3.027 4.414 ( -0.060 -3.490 1.276) 3.716 4.528 ( 0.172 -2.935 -1.548) 3.323 4.697 ( -0.558 -4.655 0.769) 4.751 4.728 ( 0.238 -5.920 -0.189) 5.928 5.016 ( 0.091 0.008 -0.022) 0.094 5.036 ( -0.344 1.454 -0.529) 1.585 5.084 ( 0.776 0.695 1.246) 1.623 5.130 ( -0.212 1.053 -0.098) 1.078 5.214 ( 0.490 1.787 0.490) 1.916 5.262 ( -0.580 1.053 -0.674) 1.378 5.354 ( 0.189 -3.106 0.300) 3.126 5.373 ( -0.041 -2.283 -0.164) 2.289 6.074 ( 0.299 2.326 0.862) 2.499 6.134 ( -0.570 2.564 -0.585) 2.691 6.322 ( -0.567 -3.470 -0.120) 3.518 6.331 ( 0.626 -2.636 -0.340) 2.731 6.969 ( 0.678 2.459 0.609) 2.623 7.045 ( -0.933 2.405 -1.384) 2.927 7.120 ( 0.951 -1.650 0.866) 2.092 7.179 ( -0.649 -2.017 -0.585) 2.199 ======================= Grid point 99 (47/108) ======================= q-point: ( 0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.021 10.625 -2.766) 10.979 0.808 ( 2.128 2.172 -5.033) 5.880 0.982 ( -3.021 4.238 2.874) 5.946 1.036 ( -3.047 2.347 1.168) 4.019 1.172 ( 1.152 1.455 -0.344) 1.887 1.211 ( 1.576 4.475 0.696) 4.796 1.426 ( -3.398 -0.526 2.161) 4.061 1.471 ( -4.180 -0.888 -0.394) 4.291 1.757 ( 1.591 -1.579 -1.005) 2.457 1.792 ( 3.605 2.931 0.117) 4.648 1.833 ( 0.496 1.342 -0.690) 1.588 1.874 ( 3.485 2.488 0.529) 4.315 1.896 ( 0.070 -1.344 3.265) 3.532 2.037 ( 1.860 1.117 -0.636) 2.261 2.115 ( -0.356 3.130 -1.004) 3.306 2.183 ( 0.907 0.695 -1.357) 1.774 2.411 ( -1.127 -0.411 2.448) 2.726 2.451 ( -1.455 -1.163 -1.464) 2.369 2.507 ( -1.056 -2.873 0.943) 3.203 2.573 ( 0.287 0.155 -0.672) 0.747 2.811 ( -6.092 2.263 -1.417) 6.651 2.867 ( -5.779 4.114 -2.683) 7.584 3.133 ( -3.510 -2.742 3.198) 5.483 3.290 ( 0.627 -3.415 -0.106) 3.473 4.123 ( 0.337 5.806 -0.131) 5.817 4.154 ( -0.061 2.682 -2.057) 3.381 4.268 ( -0.663 2.255 0.976) 2.545 4.330 ( 1.429 1.963 0.663) 2.517 4.435 ( 0.816 -2.908 1.596) 3.415 4.519 ( 0.595 -2.924 -1.900) 3.537 4.688 ( -1.253 -4.371 0.661) 4.595 4.728 ( -0.069 -5.842 -0.016) 5.843 5.026 ( 0.717 0.519 0.073) 0.888 5.034 ( 0.747 1.199 -0.399) 1.468 5.109 ( 0.530 -0.020 0.768) 0.933 5.124 ( 0.046 1.397 -0.113) 1.402 5.209 ( -1.637 1.121 -0.010) 1.984 5.246 ( -0.213 1.494 0.115) 1.513 5.369 ( 0.699 -2.437 -0.169) 2.540 5.375 ( 0.771 -2.545 0.040) 2.660 6.084 ( -0.321 2.179 1.273) 2.544 6.102 ( -2.023 1.878 -0.897) 2.903 6.296 ( -1.884 -2.929 -0.446) 3.511 6.337 ( 0.137 -2.815 -0.084) 2.820 6.989 ( -0.056 3.019 0.260) 3.031 7.011 ( -0.490 2.622 -0.543) 2.722 7.150 ( 0.519 -2.251 -0.318) 2.332 7.174 ( 1.487 -2.630 0.157) 3.026 ======================= Grid point 100 (48/108) ======================= q-point: ( 0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 4.593 5.464 0.258) 7.142 0.820 ( 4.054 3.384 -3.781) 6.495 0.973 ( -0.631 -0.649 1.454) 1.712 1.020 ( 1.140 5.237 -0.728) 5.409 1.158 ( -2.414 -2.340 0.428) 3.389 1.197 ( -3.271 1.477 0.825) 3.682 1.357 ( -6.071 1.717 0.901) 6.373 1.380 ( -5.409 2.540 -0.355) 5.987 1.777 ( 2.017 -1.443 -1.349) 2.823 1.837 ( 0.920 0.075 -0.731) 1.178 1.878 ( 3.659 -0.027 1.055) 3.808 1.928 ( 2.872 1.534 0.579) 3.307 1.960 ( 3.706 1.215 2.205) 4.480 2.057 ( 0.971 -0.152 -2.345) 2.543 2.113 ( 1.212 1.313 0.709) 1.923 2.196 ( 1.954 0.547 -0.449) 2.078 2.395 ( -3.383 -1.197 -1.652) 3.951 2.409 ( -2.415 -0.078 2.702) 3.625 2.482 ( -1.467 -4.187 -0.534) 4.469 2.557 ( -2.181 -0.331 -0.978) 2.413 2.696 ( -5.071 1.052 0.325) 5.189 2.747 ( -5.544 1.417 -0.081) 5.722 3.078 ( -4.773 -5.719 1.528) 7.604 3.267 ( -1.673 -6.964 -1.924) 7.416 4.121 ( -0.006 4.275 -0.169) 4.278 4.162 ( 1.350 3.559 0.287) 3.817 4.265 ( -0.417 3.547 0.226) 3.578 4.353 ( 0.930 2.116 -0.264) 2.326 4.468 ( 1.225 -1.528 1.414) 2.416 4.518 ( 1.404 -2.423 -1.866) 3.365 4.666 ( -1.964 -3.666 0.833) 4.242 4.724 ( -0.424 -5.860 -0.033) 5.876 5.035 ( 0.272 0.985 0.040) 1.023 5.055 ( 1.655 0.930 -0.009) 1.899 5.110 ( 0.086 0.639 -0.575) 0.864 5.134 ( 0.426 0.294 0.262) 0.580 5.170 ( -2.143 0.802 -0.389) 2.321 5.251 ( -0.037 1.917 0.656) 2.026 5.367 ( -0.080 -2.550 -0.418) 2.585 5.401 ( 1.425 -2.053 0.189) 2.506 6.056 ( -2.065 1.682 -0.529) 2.715 6.087 ( -0.722 2.334 0.978) 2.632 6.257 ( -1.977 -2.889 -0.128) 3.503 6.334 ( -0.324 -3.047 -0.156) 3.068 6.964 ( -0.917 3.258 -0.709) 3.458 7.028 ( 0.737 2.939 0.744) 3.120 7.145 ( 0.266 -3.015 -0.690) 3.104 7.214 ( 1.810 -3.363 0.444) 3.845 ======================= Grid point 101 (49/108) ======================= q-point: ( 0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 4.473 -0.934 -1.151) 4.713 0.900 ( 7.195 2.321 -0.426) 7.572 0.982 ( -2.276 -3.439 0.690) 4.181 1.016 ( 0.218 3.217 -0.956) 3.363 1.142 ( 2.530 0.989 0.441) 2.752 1.145 ( -3.909 0.882 1.937) 4.451 1.241 ( -7.317 3.701 0.431) 8.211 1.292 ( -2.914 4.735 -1.045) 5.657 1.797 ( 1.308 -1.224 -0.807) 1.964 1.849 ( 0.938 -1.877 -0.685) 2.208 1.914 ( -0.509 -3.907 2.112) 4.471 1.987 ( 3.302 3.444 -1.093) 4.895 2.033 ( -1.236 -1.347 -1.939) 2.665 2.046 ( 3.245 0.602 1.360) 3.570 2.164 ( 3.422 -0.131 0.383) 3.445 2.231 ( 0.506 -0.014 -0.721) 0.881 2.311 ( -4.844 0.573 1.978) 5.264 2.379 ( -0.999 -2.752 -0.631) 2.994 2.457 ( -0.550 -3.610 -0.738) 3.726 2.488 ( -2.713 -0.708 -0.722) 2.895 2.650 ( -1.228 -0.844 1.183) 1.902 2.691 ( -1.760 -0.775 0.780) 2.075 3.015 ( -2.932 -7.810 0.722) 8.374 3.219 ( -0.395 -9.108 -3.043) 9.611 4.127 ( 0.238 4.123 0.840) 4.214 4.191 ( 0.746 2.767 1.460) 3.216 4.255 ( -0.371 4.550 -0.745) 4.625 4.356 ( 0.208 2.456 -1.271) 2.773 4.493 ( 0.106 -0.120 0.819) 0.834 4.535 ( 2.153 -1.719 -1.399) 3.090 4.640 ( -1.801 -3.474 1.236) 4.104 4.714 ( -0.422 -5.980 -0.384) 6.007 5.039 ( 0.072 1.172 0.370) 1.231 5.091 ( 1.929 1.004 0.488) 2.229 5.104 ( 0.012 0.692 -0.803) 1.060 5.136 ( -1.207 0.716 0.098) 1.407 5.140 ( -0.115 0.064 -0.004) 0.132 5.244 ( -0.735 1.855 -1.008) 2.235 5.369 ( 0.381 -2.505 0.618) 2.608 5.420 ( 0.456 -1.812 -0.056) 1.869 6.028 ( -0.588 1.811 0.122) 1.908 6.076 ( -0.931 2.646 -0.074) 2.806 6.236 ( -0.529 -3.051 0.932) 3.233 6.326 ( -0.227 -3.257 -0.429) 3.293 6.955 ( 0.142 3.139 0.230) 3.151 7.034 ( -0.287 2.871 -0.467) 2.923 7.153 ( 0.727 -3.296 0.550) 3.420 7.235 ( 0.368 -3.675 -0.311) 3.706 ======================= Grid point 102 (50/108) ======================= q-point: (-0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -5.548 2.318 -0.230) 6.017 0.905 ( -0.171 -0.253 -1.769) 1.796 0.993 ( 1.278 0.290 1.639) 2.099 1.076 ( 1.330 -0.315 -1.996) 2.419 1.090 ( -2.141 1.157 1.585) 2.904 1.142 ( -1.446 3.245 1.864) 4.012 1.237 ( 6.342 1.879 0.144) 6.616 1.289 ( 3.650 4.395 -0.975) 5.795 1.808 ( 0.518 -1.499 -0.364) 1.628 1.848 ( -0.133 -2.295 -1.248) 2.616 1.915 ( -1.881 -5.458 2.586) 6.326 1.973 ( -4.151 0.107 -0.630) 4.200 2.005 ( -1.589 3.753 -0.228) 4.082 2.074 ( -0.044 0.882 -1.163) 1.460 2.182 ( -2.738 1.034 1.259) 3.186 2.205 ( -0.271 -0.818 -0.775) 1.159 2.284 ( 1.011 -0.920 -0.288) 1.397 2.404 ( 3.467 -4.653 -0.475) 5.822 2.447 ( 0.080 -4.679 -0.165) 4.683 2.511 ( 4.726 0.156 0.029) 4.728 2.664 ( 1.326 -1.809 1.226) 2.556 2.691 ( 2.071 0.720 0.757) 2.319 2.997 ( 0.149 -7.698 0.675) 7.729 3.209 ( 2.484 -8.573 -3.401) 9.552 4.143 ( 0.138 4.619 1.694) 4.921 4.208 ( -0.647 3.068 1.660) 3.548 4.243 ( 0.185 3.674 -0.838) 3.773 4.337 ( -0.505 2.761 -2.168) 3.546 4.481 ( -1.932 -0.530 0.229) 2.017 4.554 ( 0.789 -1.121 -0.805) 1.590 4.639 ( 0.411 -3.890 1.496) 4.188 4.707 ( 0.362 -5.550 -0.679) 5.603 5.045 ( 0.005 0.980 0.678) 1.191 5.081 ( -1.105 1.010 -0.496) 1.578 5.120 ( -0.384 0.501 0.211) 0.665 5.134 ( -0.554 0.377 -0.368) 0.764 5.147 ( 2.308 0.804 1.026) 2.651 5.214 ( -0.442 1.479 -2.015) 2.539 5.386 ( 0.291 -2.114 1.030) 2.369 5.414 ( -0.772 -1.927 -0.373) 2.109 6.040 ( 1.314 2.313 0.653) 2.739 6.059 ( -0.323 2.517 -0.696) 2.631 6.254 ( 1.017 -3.128 1.554) 3.638 6.320 ( 0.234 -3.248 -0.831) 3.360 6.972 ( 0.987 2.937 1.008) 3.258 7.013 ( -0.938 2.451 -1.274) 2.917 7.175 ( 0.501 -2.976 1.352) 3.307 7.221 ( -1.194 -3.485 -1.018) 3.821 ======================= Grid point 103 (51/108) ======================= q-point: (-0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.098 10.076 0.526) 10.090 0.877 ( -1.026 0.497 -2.097) 2.387 0.938 ( -5.109 7.114 -1.521) 8.890 1.049 ( -1.548 -2.142 3.042) 4.029 1.118 ( 3.637 1.412 -1.702) 4.257 1.210 ( 2.619 -0.781 1.557) 3.146 1.327 ( 3.987 0.449 -0.257) 4.020 1.385 ( 6.432 2.912 0.114) 7.061 1.806 ( -0.903 -1.583 -0.054) 1.823 1.825 ( -0.956 -1.957 -1.769) 2.806 1.873 ( -4.350 1.262 -0.229) 4.535 1.900 ( -3.570 -2.002 2.514) 4.804 1.938 ( -4.414 4.788 -0.184) 6.515 2.057 ( -0.704 0.420 -0.281) 0.867 2.162 ( -2.154 1.446 0.928) 2.755 2.183 ( 0.376 -1.715 -1.479) 2.296 2.330 ( 3.418 -2.009 0.420) 3.987 2.418 ( 1.132 -3.883 -2.383) 4.694 2.493 ( 2.011 -3.604 1.656) 4.446 2.570 ( 1.584 -1.941 -0.443) 2.545 2.752 ( 7.286 1.344 1.967) 7.665 2.783 ( 6.849 2.760 -0.320) 7.391 3.030 ( 2.316 -5.407 1.314) 6.027 3.228 ( 2.652 -5.935 -3.303) 7.292 4.153 ( -0.850 6.507 0.982) 6.636 4.211 ( 0.414 3.176 1.040) 3.367 4.248 ( -0.091 1.196 0.884) 1.490 4.301 ( -0.953 2.816 -2.549) 3.916 4.442 ( -2.242 -1.995 0.185) 3.007 4.550 ( -0.216 -1.719 -0.591) 1.830 4.670 ( 1.157 -4.122 1.313) 4.478 4.713 ( 0.816 -5.094 -0.570) 5.190 5.046 ( -0.795 0.428 0.393) 0.984 5.059 ( -0.899 0.901 0.087) 1.276 5.101 ( -1.657 0.288 -1.074) 1.996 5.124 ( 0.131 1.218 0.206) 1.242 5.181 ( 1.015 1.171 -0.379) 1.595 5.222 ( 2.169 1.123 0.221) 2.453 5.386 ( -0.985 -2.269 -0.271) 2.488 5.395 ( -0.950 -2.023 0.352) 2.262 6.051 ( 0.426 2.721 -0.503) 2.799 6.085 ( 2.362 2.581 0.788) 3.587 6.291 ( 1.424 -3.365 1.241) 3.859 6.319 ( 0.655 -3.070 -1.083) 3.321 6.981 ( -0.875 2.295 -0.973) 2.642 7.008 ( 1.509 2.615 0.914) 3.154 7.177 ( -2.072 -2.813 -0.888) 3.605 7.193 ( -0.188 -2.477 0.893) 2.639 ======================= Grid point 104 (52/108) ======================= q-point: (-0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.478 11.383 -5.013) 12.448 0.852 ( 1.433 0.453 -2.913) 3.278 0.894 ( 4.014 11.310 3.053) 12.383 1.053 ( -1.397 -2.563 2.976) 4.168 1.159 ( 1.165 3.381 -0.498) 3.610 1.204 ( -3.638 3.826 -0.114) 5.281 1.389 ( 2.851 -1.438 0.881) 3.313 1.486 ( 4.347 -0.172 0.430) 4.372 1.767 ( -2.779 1.748 -0.792) 3.377 1.786 ( -0.919 -1.494 -0.365) 1.792 1.835 ( -0.689 0.227 -0.466) 0.862 1.855 ( -3.103 1.433 0.978) 3.555 1.885 ( -2.092 1.735 1.609) 3.159 2.041 ( -0.835 0.583 -0.433) 1.107 2.134 ( -1.103 1.426 0.062) 1.804 2.180 ( 0.723 -0.292 -1.484) 1.676 2.397 ( 2.671 -1.648 0.702) 3.216 2.421 ( 0.952 -1.643 -0.081) 1.901 2.522 ( 0.062 -3.287 0.814) 3.386 2.577 ( 0.146 -0.516 -0.411) 0.676 2.880 ( 4.594 2.573 -1.622) 5.510 2.911 ( 8.007 3.835 -0.593) 8.898 3.093 ( 2.060 -2.370 3.069) 4.391 3.229 ( 0.618 -2.269 -1.944) 3.051 4.136 ( -0.875 7.082 -0.517) 7.155 4.237 ( -0.945 1.532 -1.860) 2.588 4.246 ( 1.458 1.931 1.916) 3.086 4.272 ( -0.629 2.015 0.357) 2.141 4.415 ( -1.178 -3.098 0.668) 3.381 4.540 ( -0.098 -2.489 -1.012) 2.689 4.693 ( 0.162 -4.427 1.012) 4.544 4.722 ( 0.662 -5.506 -0.333) 5.556 5.026 ( -1.039 -0.163 -0.150) 1.062 5.051 ( -0.818 1.112 0.194) 1.394 5.070 ( -0.320 1.075 -0.243) 1.148 5.130 ( 0.158 0.959 0.209) 0.994 5.196 ( 1.159 1.531 -0.213) 1.932 5.259 ( 1.198 1.144 0.297) 1.683 5.363 ( -1.061 -2.822 -0.202) 3.021 5.381 ( -0.811 -2.154 0.065) 2.302 6.060 ( 0.701 2.597 0.151) 2.694 6.127 ( 1.483 2.944 0.275) 3.308 6.318 ( 0.800 -3.962 -0.033) 4.042 6.324 ( 0.740 -2.513 -0.319) 2.639 6.963 ( -0.188 2.272 -0.374) 2.310 7.043 ( 1.434 2.280 0.323) 2.713 7.130 ( -1.917 -1.795 -0.646) 2.705 7.193 ( -0.647 -2.083 0.380) 2.214 ======================= Grid point 105 (53/108) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.716 1.169 -1.980) 2.409 0.916 ( -1.549 1.222 -0.789) 2.125 1.033 ( -0.571 4.050 -0.920) 4.192 1.165 ( 0.330 1.785 -1.737) 2.513 1.220 ( -0.351 4.406 1.305) 4.608 1.291 ( 2.190 3.748 -0.790) 4.412 1.379 ( 0.139 -2.803 2.381) 3.680 1.447 ( -0.852 -4.130 0.110) 4.218 1.749 ( -0.135 1.186 -0.079) 1.196 1.801 ( -0.187 -0.819 -0.086) 0.845 1.827 ( 0.783 2.421 2.207) 3.368 1.856 ( -0.574 0.807 0.605) 1.161 1.964 ( -0.249 4.917 0.465) 4.946 2.071 ( 0.581 3.599 -0.953) 3.768 2.129 ( 0.550 -2.143 1.233) 2.533 2.197 ( 0.249 0.038 -0.509) 0.568 2.403 ( 0.113 -0.036 1.238) 1.243 2.438 ( 0.794 -1.378 2.632) 3.075 2.483 ( -0.862 0.504 -0.119) 1.006 2.570 ( 0.195 -1.375 -0.236) 1.409 2.954 ( -0.972 3.094 -1.394) 3.530 3.044 ( 0.626 2.804 -2.249) 3.649 3.109 ( -1.451 -1.038 1.946) 2.640 3.216 ( 1.514 -2.502 -0.497) 2.966 4.219 ( -0.768 1.770 -0.487) 1.990 4.268 ( -0.239 6.315 -1.454) 6.484 4.295 ( 0.028 -0.418 1.570) 1.625 4.343 ( 0.650 3.007 1.138) 3.280 4.374 ( 0.094 1.135 -0.237) 1.164 4.465 ( 0.122 -3.086 -1.654) 3.504 4.587 ( -0.146 -5.845 0.395) 5.860 4.605 ( -0.110 -6.181 -0.072) 6.182 5.027 ( 0.196 1.084 0.562) 1.237 5.076 ( -0.355 2.313 -0.559) 2.406 5.082 ( 0.348 -0.851 1.096) 1.431 5.143 ( 0.037 -0.032 -0.425) 0.428 5.246 ( 0.673 1.311 0.308) 1.505 5.277 ( -1.208 0.402 -0.553) 1.389 5.300 ( 0.914 -1.789 0.584) 2.092 5.331 ( -0.252 -1.745 -0.297) 1.788 6.125 ( 0.248 2.632 0.236) 2.654 6.182 ( -1.028 1.902 -1.268) 2.507 6.256 ( 0.421 -2.747 0.510) 2.826 6.284 ( 0.055 -2.152 -0.249) 2.167 7.013 ( 0.705 1.874 0.830) 2.168 7.081 ( -0.837 -0.416 -0.153) 0.947 7.089 ( 0.793 0.287 -0.211) 0.869 7.143 ( -0.716 -1.514 -0.803) 1.857 ======================= Grid point 106 (54/108) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -0.106 1.502 -1.296) 1.986 0.886 ( -0.267 1.739 -0.952) 2.000 1.003 ( -1.838 3.806 -0.753) 4.293 1.136 ( -0.693 3.809 -1.012) 4.001 1.208 ( -1.937 2.042 -0.082) 2.816 1.294 ( -1.656 3.580 -0.144) 3.947 1.395 ( -1.258 -2.724 2.501) 3.906 1.435 ( -0.503 -2.458 -0.351) 2.533 1.742 ( -0.520 0.490 -0.123) 0.725 1.807 ( 0.798 -1.307 0.404) 1.583 1.838 ( -0.691 0.820 0.883) 1.390 1.883 ( 1.577 0.034 1.626) 2.265 1.975 ( 1.400 5.185 0.277) 5.378 2.087 ( 1.874 3.658 -0.641) 4.160 2.143 ( -0.499 -1.062 0.131) 1.181 2.193 ( 0.248 -0.056 -0.434) 0.503 2.411 ( -1.225 0.444 2.558) 2.871 2.448 ( -2.586 0.891 -0.556) 2.791 2.454 ( -1.712 -1.828 2.311) 3.407 2.554 ( -1.234 -2.052 -0.672) 2.487 2.869 ( -6.969 3.638 -0.453) 7.874 2.962 ( -6.129 5.064 -3.100) 8.533 3.060 ( -6.173 -4.221 2.497) 7.884 3.198 ( -2.977 -5.349 -1.069) 6.215 4.209 ( -0.086 2.934 -0.083) 2.936 4.254 ( 0.197 6.342 -1.187) 6.455 4.321 ( 0.873 1.885 1.541) 2.586 4.369 ( 1.263 0.569 0.959) 1.685 4.386 ( 1.520 0.676 -0.314) 1.693 4.457 ( 0.976 -3.012 -1.932) 3.709 4.588 ( -0.284 -5.164 0.514) 5.197 4.602 ( -0.094 -6.398 -0.138) 6.400 5.045 ( 0.843 1.280 0.738) 1.700 5.070 ( 0.433 2.126 -0.644) 2.263 5.100 ( 0.409 -0.886 1.134) 1.496 5.137 ( -0.160 -0.346 -0.780) 0.868 5.232 ( -1.831 1.289 -0.253) 2.253 5.270 ( 0.199 0.692 0.628) 0.955 5.325 ( 0.100 -1.861 -0.741) 2.005 5.330 ( 1.640 -1.564 0.416) 2.304 6.129 ( -0.421 2.005 0.632) 2.144 6.141 ( -1.883 1.834 -1.068) 2.837 6.247 ( -1.699 -1.833 -0.155) 2.504 6.281 ( -0.229 -2.650 -0.060) 2.660 7.038 ( 0.420 1.908 0.797) 2.110 7.053 ( -0.642 1.572 -0.457) 1.758 7.111 ( 0.185 -1.489 -0.466) 1.571 7.127 ( 0.776 -1.956 -0.152) 2.110 ======================= Grid point 107 (55/108) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.943 1.236 0.600) 1.667 0.891 ( 0.422 -1.391 0.374) 1.501 0.970 ( -0.260 5.344 -1.194) 5.482 1.137 ( 1.913 2.172 -1.716) 3.365 1.160 ( -2.762 4.679 0.057) 5.433 1.250 ( -2.612 4.211 -0.057) 4.955 1.372 ( -3.701 -0.876 1.468) 4.077 1.409 ( -1.949 -0.435 -0.208) 2.008 1.739 ( 0.710 -1.066 -0.711) 1.465 1.823 ( -0.209 -2.323 1.296) 2.668 1.829 ( -0.918 -1.316 0.279) 1.629 1.923 ( 1.811 -2.448 0.414) 3.073 2.017 ( 2.474 2.989 0.118) 3.882 2.102 ( 0.607 3.585 -2.630) 4.487 2.127 ( -0.203 -0.191 0.567) 0.631 2.203 ( 1.061 -0.237 0.022) 1.087 2.379 ( -4.106 -0.143 -0.560) 4.147 2.410 ( -2.104 0.695 2.470) 3.318 2.423 ( -2.784 -1.480 0.297) 3.167 2.522 ( -1.576 -2.982 -1.058) 3.535 2.737 ( -7.367 3.251 1.409) 8.175 2.811 ( -7.358 4.717 -1.656) 8.895 2.954 ( -7.472 -6.238 1.915) 9.920 3.105 ( -5.124 -8.501 -1.947) 10.115 4.215 ( 0.370 4.597 0.671) 4.660 4.251 ( 0.112 4.934 -0.052) 4.936 4.343 ( 0.565 3.856 0.102) 3.898 4.400 ( 1.411 2.076 -0.274) 2.525 4.423 ( 2.550 -2.266 0.587) 3.462 4.468 ( 2.185 -2.315 -1.503) 3.520 4.583 ( -1.018 -4.474 0.545) 4.620 4.596 ( -0.613 -6.348 0.062) 6.377 5.060 ( 0.360 1.456 0.095) 1.503 5.084 ( 1.382 1.636 0.044) 2.142 5.115 ( 0.503 -0.206 0.479) 0.724 5.126 ( -0.067 -0.906 -0.682) 1.136 5.194 ( -1.971 1.697 -0.421) 2.635 5.286 ( 0.486 0.908 1.328) 1.680 5.312 ( -0.518 -2.179 -1.261) 2.570 5.363 ( 1.468 -1.697 0.253) 2.258 6.094 ( -1.869 2.051 -0.505) 2.820 6.135 ( -0.276 2.112 1.145) 2.418 6.205 ( -2.317 -1.931 -0.447) 3.050 6.271 ( -0.685 -3.067 -0.127) 3.145 7.018 ( -0.794 2.085 -0.753) 2.354 7.077 ( 0.950 1.608 1.310) 2.281 7.094 ( -0.373 -1.697 -1.182) 2.101 7.157 ( 1.280 -2.326 0.572) 2.716 ======================= Grid point 108 (56/108) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.134 -0.816 2.029) 2.191 0.890 ( -1.564 -3.998 2.142) 4.798 0.987 ( 3.693 5.043 -2.216) 6.632 1.102 ( -1.812 2.764 -1.344) 3.568 1.192 ( 4.004 4.650 -0.338) 6.145 1.211 ( -1.717 5.259 0.292) 5.540 1.302 ( -4.731 1.865 0.748) 5.140 1.374 ( -1.448 2.097 -0.231) 2.559 1.749 ( 1.186 -2.743 -1.009) 3.154 1.810 ( -0.666 -1.921 -0.818) 2.192 1.824 ( -1.445 -3.703 1.521) 4.256 1.942 ( 0.802 -5.841 -2.215) 6.298 2.041 ( 0.212 1.370 0.658) 1.535 2.094 ( 1.126 2.668 -1.808) 3.414 2.143 ( 1.372 -1.694 0.493) 2.235 2.216 ( -0.096 -1.577 -0.961) 1.849 2.305 ( -2.442 0.990 -0.907) 2.787 2.376 ( -2.571 -0.164 0.474) 2.620 2.394 ( -1.055 -0.200 0.300) 1.115 2.482 ( -0.876 -1.887 -1.518) 2.576 2.657 ( -3.262 1.830 1.631) 4.080 2.712 ( -2.381 3.179 0.037) 3.972 2.863 ( -4.057 -6.702 1.966) 8.077 3.020 ( -1.596 -9.928 -1.791) 10.214 4.229 ( 0.050 5.607 1.235) 5.741 4.258 ( 0.147 3.513 1.180) 3.709 4.344 ( 0.128 3.874 -0.912) 3.982 4.412 ( 0.590 3.020 -1.029) 3.245 4.470 ( 1.712 -2.113 0.349) 2.742 4.497 ( 2.046 -1.620 -1.116) 2.838 4.565 ( -1.268 -4.263 0.701) 4.502 4.583 ( -0.930 -6.214 0.355) 6.293 5.064 ( 0.073 1.304 0.127) 1.312 5.108 ( 0.725 0.147 -0.385) 0.834 5.120 ( 0.667 0.565 -0.283) 0.919 5.131 ( 0.281 -0.471 0.385) 0.670 5.163 ( -1.104 2.304 0.229) 2.565 5.278 ( -1.102 0.413 -1.914) 2.247 5.316 ( 0.876 -1.672 1.506) 2.414 5.381 ( 0.341 -2.005 -0.102) 2.036 6.071 ( -0.466 2.334 0.316) 2.401 6.133 ( -1.025 2.841 -0.116) 3.022 6.177 ( -0.352 -2.714 0.926) 2.889 6.259 ( -0.364 -3.258 -0.303) 3.292 7.009 ( 0.158 2.167 0.007) 2.172 7.075 ( -0.453 0.300 -1.184) 1.303 7.104 ( 0.673 -0.580 1.310) 1.583 7.172 ( 0.144 -2.509 -0.040) 2.513 ======================= Grid point 109 (57/108) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -0.428 -1.036 2.319) 2.576 0.890 ( -0.518 -2.503 2.036) 3.267 1.035 ( 2.640 3.200 -1.256) 4.334 1.078 ( 0.946 2.742 -1.202) 3.140 1.199 ( 0.434 6.694 -0.316) 6.716 1.218 ( -2.951 3.168 -0.583) 4.369 1.273 ( 2.482 1.896 1.029) 3.288 1.375 ( 2.303 2.878 -0.392) 3.707 1.762 ( 1.224 -2.831 -0.806) 3.188 1.789 ( -1.568 -4.375 0.099) 4.649 1.803 ( -0.815 -2.643 -0.448) 2.802 1.923 ( -0.169 -5.154 -1.840) 5.475 2.046 ( -0.779 1.180 0.491) 1.497 2.098 ( 0.527 1.171 -0.933) 1.587 2.168 ( 0.235 -2.416 -0.695) 2.525 2.184 ( -0.782 -1.005 -0.350) 1.320 2.285 ( 1.076 1.121 -1.554) 2.198 2.345 ( -0.412 -0.772 -0.926) 1.274 2.395 ( 1.101 -0.560 0.450) 1.314 2.484 ( 1.947 -2.917 -1.339) 3.754 2.660 ( 2.455 1.529 1.684) 3.347 2.736 ( 4.835 3.201 0.230) 5.803 2.858 ( 1.150 -5.416 2.154) 5.941 3.029 ( 4.004 -8.635 -1.507) 9.636 4.237 ( -0.492 4.042 1.578) 4.366 4.277 ( 0.181 3.839 1.991) 4.328 4.332 ( -0.408 4.511 -1.256) 4.700 4.399 ( -0.569 3.320 -1.804) 3.822 4.462 ( -2.362 -0.869 -0.080) 2.518 4.518 ( 0.695 -2.397 -0.789) 2.617 4.557 ( -0.274 -4.101 0.956) 4.220 4.586 ( 0.905 -6.230 0.359) 6.306 5.065 ( -0.260 0.957 0.314) 1.040 5.095 ( -0.843 0.021 -0.923) 1.250 5.123 ( -0.863 0.202 0.263) 0.924 5.138 ( 0.320 -0.030 0.154) 0.357 5.178 ( 1.735 2.203 1.007) 2.980 5.242 ( -0.485 0.850 -2.082) 2.300 5.342 ( 0.410 -1.773 1.244) 2.204 5.373 ( -0.787 -2.044 -0.493) 2.245 6.086 ( 1.407 2.184 0.983) 2.778 6.111 ( -0.505 2.320 -0.719) 2.481 6.200 ( 1.172 -1.978 1.441) 2.713 6.255 ( 0.367 -3.090 -0.634) 3.175 7.022 ( 0.903 2.012 0.646) 2.298 7.052 ( -0.867 1.227 -1.329) 2.006 7.128 ( 0.541 -1.483 1.418) 2.122 7.161 ( -0.974 -2.388 -0.595) 2.647 ======================= Grid point 110 (58/108) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.155 0.152 0.453) 0.502 0.914 ( 0.778 -0.917 2.582) 2.848 1.046 ( 0.112 5.512 0.709) 5.559 1.098 ( 1.774 3.520 -3.822) 5.490 1.172 ( -0.052 4.575 1.170) 4.722 1.231 ( 3.091 3.378 -1.614) 4.855 1.322 ( 1.969 -1.012 0.651) 2.307 1.424 ( 2.335 -0.181 0.274) 2.358 1.758 ( -0.608 -2.436 0.169) 2.516 1.782 ( 0.186 -1.939 -0.885) 2.139 1.800 ( 0.853 -2.397 0.393) 2.575 1.902 ( -1.301 -2.893 -0.224) 3.180 2.011 ( -2.656 3.280 -0.309) 4.232 2.093 ( -0.365 1.830 -0.543) 1.943 2.152 ( -0.935 -0.702 -0.706) 1.366 2.183 ( 0.311 -0.074 -0.191) 0.372 2.315 ( 3.172 0.434 -0.130) 3.205 2.353 ( 2.294 -2.288 -1.333) 3.504 2.434 ( 2.211 -1.467 0.827) 2.779 2.511 ( 2.428 -3.458 -0.791) 4.298 2.776 ( 7.840 1.647 1.788) 8.208 2.859 ( 8.475 2.713 -1.158) 8.973 2.938 ( 5.234 -2.395 2.387) 6.231 3.107 ( 5.831 -5.845 -1.894) 8.471 4.244 ( -0.629 1.846 1.839) 2.680 4.292 ( -0.321 1.986 0.380) 2.048 4.309 ( -1.045 7.048 0.374) 7.134 4.361 ( -1.426 3.034 -2.048) 3.928 4.416 ( -2.172 0.522 -0.236) 2.246 4.502 ( -1.114 -2.954 -0.413) 3.185 4.574 ( 0.756 -5.063 0.518) 5.145 4.604 ( 0.504 -5.849 0.255) 5.876 5.054 ( -1.294 0.492 -0.004) 1.385 5.074 ( -0.499 0.174 -0.371) 0.646 5.108 ( -1.090 0.793 0.236) 1.369 5.142 ( 0.215 0.215 -0.097) 0.319 5.207 ( 0.893 1.523 -0.391) 1.808 5.243 ( 1.743 0.720 0.053) 1.887 5.342 ( -1.108 -1.802 -0.349) 2.145 5.356 ( -0.842 -1.761 0.410) 1.994 6.105 ( 0.546 2.535 -0.467) 2.635 6.134 ( 2.499 2.054 1.202) 3.451 6.232 ( 1.048 -2.276 0.517) 2.558 6.260 ( 1.015 -2.618 -0.621) 2.875 7.022 ( -0.882 1.780 -1.039) 2.242 7.049 ( 1.112 1.289 0.570) 1.796 7.131 ( -1.349 -1.596 -0.463) 2.140 7.149 ( 0.224 -1.795 1.016) 2.074 ======================= Grid point 111 (59/108) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.386 0.699 -1.470) 1.673 0.938 ( -0.953 -1.021 1.583) 2.111 1.047 ( 0.079 5.804 -1.626) 6.028 1.118 ( 4.112 6.568 -0.369) 7.757 1.209 ( 1.432 1.809 0.932) 2.488 1.263 ( 2.540 3.279 -2.483) 4.834 1.354 ( 0.612 -2.202 1.652) 2.820 1.450 ( 0.302 -3.598 0.483) 3.643 1.755 ( 0.162 -0.143 -0.875) 0.902 1.784 ( 0.358 -0.385 1.567) 1.653 1.815 ( 0.136 -0.396 0.076) 0.426 1.874 ( -1.980 0.277 0.835) 2.167 1.973 ( -1.199 4.052 -0.023) 4.226 2.079 ( -0.338 2.930 -0.707) 3.033 2.125 ( -1.102 -1.266 0.139) 1.684 2.191 ( 0.767 0.246 -0.439) 0.918 2.379 ( 2.502 -0.538 0.835) 2.692 2.387 ( 2.147 -1.477 0.703) 2.699 2.476 ( 1.382 -0.647 0.641) 1.655 2.550 ( 2.107 -2.123 -0.184) 2.996 2.918 ( 5.873 1.818 -0.084) 6.148 2.986 ( 6.725 1.704 -1.159) 7.034 3.059 ( 4.929 0.109 1.942) 5.299 3.178 ( 3.874 -2.877 -1.747) 5.132 4.241 ( -1.148 0.899 0.271) 1.483 4.275 ( -0.754 2.125 0.593) 2.331 4.306 ( -0.647 4.946 -0.855) 5.061 4.329 ( -0.489 3.555 0.590) 3.637 4.386 ( -1.102 1.416 -0.216) 1.808 4.481 ( -0.537 -3.145 -1.001) 3.344 4.585 ( 0.052 -5.779 0.423) 5.794 4.608 ( -0.136 -6.013 0.063) 6.015 5.031 ( -0.940 0.721 0.052) 1.186 5.070 ( 0.023 -0.293 0.427) 0.518 5.091 ( -0.890 1.780 -0.097) 1.993 5.144 ( 0.192 0.188 -0.248) 0.365 5.223 ( 1.475 1.213 -0.308) 1.934 5.274 ( 1.150 0.037 0.593) 1.294 5.313 ( -1.584 -1.492 -0.474) 2.227 5.342 ( -0.872 -1.613 0.131) 1.838 6.116 ( 0.785 2.833 -0.151) 2.943 6.183 ( 1.593 2.472 0.458) 2.976 6.243 ( 0.563 -3.354 -0.436) 3.428 6.277 ( 0.884 -2.164 -0.054) 2.338 7.005 ( -0.202 1.885 -0.233) 1.910 7.069 ( 0.767 -0.320 0.192) 0.853 7.106 ( -0.997 0.110 -0.347) 1.062 7.156 ( -0.289 -1.595 0.252) 1.640 ======================= Grid point 112 (60/108) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -1.163 -2.367 0.948) 2.803 0.882 ( -1.163 2.367 0.948) 2.803 1.141 ( 1.143 -4.136 -4.177) 5.989 1.141 ( 1.143 4.136 -4.177) 5.989 1.287 ( -0.661 -3.013 1.283) 3.341 1.287 ( -0.661 3.013 1.283) 3.341 1.381 ( 0.622 -2.552 0.976) 2.802 1.381 ( 0.622 2.552 0.976) 2.802 1.777 ( -0.307 -1.354 0.481) 1.469 1.777 ( -0.307 1.354 0.481) 1.469 1.862 ( 0.264 -0.615 0.805) 1.047 1.862 ( 0.264 0.615 0.805) 1.047 2.057 ( 0.318 -4.403 1.520) 4.669 2.057 ( 0.318 4.403 1.520) 4.669 2.157 ( 0.212 -3.759 -0.779) 3.844 2.157 ( 0.212 3.759 -0.779) 3.844 2.412 ( 0.447 -0.918 2.299) 2.516 2.412 ( 0.447 0.918 2.299) 2.516 2.524 ( -0.081 -2.722 -0.136) 2.727 2.524 ( -0.081 2.722 -0.136) 2.727 3.021 ( -0.519 -3.257 0.680) 3.367 3.021 ( -0.519 3.257 0.680) 3.367 3.152 ( 0.204 -3.562 -1.961) 4.071 3.152 ( 0.204 3.562 -1.961) 4.071 4.256 ( -0.280 -2.095 1.386) 2.527 4.256 ( -0.280 2.095 1.386) 2.527 4.371 ( 0.065 -2.998 -1.067) 3.182 4.371 ( 0.065 2.998 -1.067) 3.182 4.435 ( 0.052 -2.342 -1.672) 2.878 4.435 ( 0.052 2.342 -1.672) 2.878 4.498 ( 0.001 -1.301 0.906) 1.585 4.498 ( 0.001 1.301 0.906) 1.585 5.056 ( 0.213 -1.515 0.967) 1.810 5.056 ( 0.213 1.515 0.967) 1.810 5.122 ( -0.225 -1.948 -0.604) 2.052 5.122 ( -0.225 1.948 -0.604) 2.052 5.266 ( 0.513 -0.809 0.281) 0.998 5.266 ( 0.513 0.809 0.281) 0.998 5.302 ( -0.332 -1.150 -0.221) 1.218 5.302 ( -0.332 1.150 -0.221) 1.218 6.178 ( -0.349 -2.301 -0.571) 2.396 6.178 ( -0.349 2.301 -0.571) 2.396 6.244 ( 0.179 -1.577 0.077) 1.589 6.244 ( 0.179 1.577 0.077) 1.589 7.048 ( 0.626 -1.708 0.700) 1.949 7.048 ( 0.626 1.708 0.700) 1.949 7.116 ( -0.665 -1.296 -0.871) 1.698 7.116 ( -0.665 1.296 -0.871) 1.698 ======================= Grid point 114 (61/108) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -1.691 -1.511 1.016) 2.485 0.866 ( -1.691 1.511 1.016) 2.485 1.114 ( 0.377 -4.724 -3.854) 6.108 1.114 ( 0.377 4.724 -3.854) 6.108 1.290 ( -0.629 -4.577 1.796) 4.957 1.290 ( -0.629 4.577 1.796) 4.957 1.383 ( -1.044 -2.470 0.259) 2.694 1.383 ( -1.044 2.470 0.259) 2.694 1.769 ( -0.974 -1.916 0.501) 2.207 1.769 ( -0.974 1.916 0.501) 2.207 1.867 ( -0.366 -1.546 0.667) 1.724 1.867 ( -0.366 1.546 0.667) 1.724 2.077 ( 0.049 -4.640 1.138) 4.778 2.077 ( 0.049 4.640 1.138) 4.778 2.163 ( 1.260 -2.930 -0.690) 3.263 2.163 ( 1.260 2.930 -0.690) 3.263 2.424 ( -1.828 -0.888 2.721) 3.396 2.424 ( -1.828 0.888 2.721) 3.396 2.497 ( -2.231 -3.136 -0.545) 3.887 2.497 ( -2.231 3.136 -0.545) 3.887 2.958 ( -6.969 -4.790 1.051) 8.521 2.958 ( -6.969 4.790 1.051) 8.521 3.082 ( -5.598 -5.786 -2.311) 8.376 3.082 ( -5.598 5.786 -2.311) 8.376 4.273 ( 0.490 -3.161 1.548) 3.554 4.273 ( 0.490 3.161 1.548) 3.554 4.375 ( 1.644 -3.554 -1.392) 4.156 4.375 ( 1.644 3.554 -1.392) 4.156 4.427 ( 0.664 -2.278 -1.218) 2.667 4.427 ( 0.664 2.278 -1.218) 2.667 4.506 ( 0.032 -0.620 0.672) 0.915 4.506 ( 0.032 0.620 0.672) 0.915 5.074 ( 0.629 -1.491 1.212) 2.021 5.074 ( 0.629 1.491 1.212) 2.021 5.112 ( 0.014 -1.844 -0.887) 2.046 5.112 ( 0.014 1.844 -0.887) 2.046 5.262 ( -1.001 -1.409 -0.013) 1.728 5.262 ( -1.001 1.409 -0.013) 1.728 5.310 ( 1.135 -0.432 0.006) 1.214 5.310 ( 1.135 0.432 0.006) 1.214 6.159 ( -1.177 -0.559 -0.329) 1.344 6.159 ( -1.177 0.559 -0.329) 1.344 6.237 ( -0.970 -1.239 -0.095) 1.577 6.237 ( -0.970 1.239 -0.095) 1.577 7.067 ( 0.014 -0.686 0.538) 0.872 7.067 ( 0.014 0.686 0.538) 0.872 7.098 ( 0.266 -0.654 -0.673) 0.976 7.098 ( 0.266 0.654 -0.673) 0.976 ======================= Grid point 116 (62/108) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -2.227 -1.699 1.896) 3.382 0.844 ( -2.227 1.699 1.896) 3.382 1.091 ( 0.935 -4.749 -3.451) 5.944 1.091 ( 0.935 4.749 -3.451) 5.944 1.296 ( -0.817 -5.558 2.090) 5.994 1.296 ( -0.817 5.558 2.090) 5.994 1.356 ( -1.529 -4.146 -0.475) 4.444 1.356 ( -1.529 4.146 -0.475) 4.444 1.755 ( -0.998 -2.563 0.271) 2.764 1.755 ( -0.998 2.563 0.271) 2.764 1.860 ( -0.753 -2.933 -0.319) 3.045 1.860 ( -0.753 2.933 -0.319) 3.045 2.080 ( -0.293 -3.101 0.271) 3.126 2.080 ( -0.293 3.101 0.271) 3.126 2.177 ( 0.614 -2.446 -0.496) 2.570 2.177 ( 0.614 2.446 -0.496) 2.570 2.394 ( -3.252 -1.389 0.967) 3.666 2.394 ( -3.252 1.389 0.967) 3.666 2.454 ( -1.750 -3.166 -0.576) 3.663 2.454 ( -1.750 3.166 -0.576) 3.663 2.828 ( -8.267 -5.399 1.775) 10.033 2.828 ( -8.267 5.399 1.775) 10.033 2.939 ( -7.285 -7.307 -1.764) 10.468 2.939 ( -7.285 7.307 -1.764) 10.468 4.296 ( 0.351 -2.402 1.394) 2.799 4.296 ( 0.351 2.402 1.394) 2.799 4.396 ( 2.116 -1.826 -1.706) 3.275 4.396 ( 2.116 1.826 -1.706) 3.275 4.438 ( 1.324 -3.017 -0.083) 3.296 4.438 ( 1.324 3.017 -0.083) 3.296 4.510 ( -0.322 -1.593 0.408) 1.675 4.510 ( -0.322 1.593 0.408) 1.675 5.092 ( 0.181 -1.599 0.403) 1.659 5.092 ( 0.181 1.599 0.403) 1.659 5.111 ( 0.759 -0.828 -0.299) 1.163 5.111 ( 0.759 0.828 -0.299) 1.163 5.242 ( -0.971 -2.865 -0.283) 3.038 5.242 ( -0.971 2.865 -0.283) 3.038 5.329 ( 0.805 -1.672 0.131) 1.860 5.329 ( 0.805 1.672 0.131) 1.860 6.136 ( -1.222 -1.841 0.187) 2.218 6.136 ( -1.222 1.841 0.187) 2.218 6.213 ( -1.368 -2.466 -0.174) 2.825 6.213 ( -1.368 2.466 -0.174) 2.825 7.054 ( -0.546 -1.626 -0.598) 1.817 7.054 ( -0.546 1.626 -0.598) 1.817 7.116 ( 0.972 -1.746 0.586) 2.083 7.116 ( 0.972 1.746 0.586) 2.083 ======================= Grid point 118 (63/108) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -1.658 -1.606 2.900) 3.706 0.830 ( -1.658 1.606 2.900) 3.706 1.084 ( 1.839 -3.652 -3.419) 5.330 1.084 ( 1.839 3.652 -3.419) 5.330 1.291 ( -1.473 -3.249 0.843) 3.666 1.291 ( -1.473 3.249 0.843) 3.666 1.340 ( -0.208 -5.246 0.843) 5.317 1.340 ( -0.208 5.246 0.843) 5.317 1.739 ( -0.640 -2.354 -0.494) 2.489 1.739 ( -0.640 2.354 -0.494) 2.489 1.836 ( -0.598 -3.374 -1.915) 3.925 1.836 ( -0.598 3.374 -1.915) 3.925 2.077 ( -0.288 -2.362 0.474) 2.426 2.077 ( -0.288 2.362 0.474) 2.426 2.170 ( -0.472 -2.740 -1.004) 2.956 2.170 ( -0.472 2.740 -1.004) 2.956 2.349 ( -1.628 -2.369 -0.855) 2.999 2.349 ( -1.628 2.369 -0.855) 2.999 2.427 ( -0.401 -2.797 -1.141) 3.047 2.427 ( -0.401 2.797 -1.141) 3.047 2.726 ( -4.404 -4.353 1.397) 6.348 2.726 ( -4.404 4.353 1.397) 6.348 2.840 ( -2.271 -6.879 0.578) 7.267 2.840 ( -2.271 6.879 0.578) 7.267 4.307 ( -0.379 -0.204 1.019) 1.106 4.307 ( -0.379 0.204 1.019) 1.106 4.418 ( 1.800 -3.666 -0.939) 4.191 4.418 ( 1.800 3.666 -0.939) 4.191 4.464 ( 1.191 -1.627 0.315) 2.041 4.464 ( 1.191 1.627 0.315) 2.041 4.500 ( -1.051 -2.485 0.030) 2.699 4.500 ( -1.051 2.485 0.030) 2.699 5.091 ( -0.045 -1.338 -0.353) 1.384 5.091 ( -0.045 1.338 -0.353) 1.384 5.126 ( 0.550 -0.241 0.312) 0.677 5.126 ( 0.550 0.241 0.312) 0.677 5.226 ( -0.347 -3.523 -0.224) 3.547 5.226 ( -0.347 3.523 -0.224) 3.547 5.338 ( 0.172 -2.080 0.008) 2.087 5.338 ( 0.172 2.080 0.008) 2.087 6.122 ( -0.611 -2.586 0.392) 2.686 6.122 ( -0.611 2.586 0.392) 2.686 6.194 ( -0.477 -3.058 0.086) 3.096 6.194 ( -0.477 3.058 0.086) 3.096 7.048 ( 0.149 -1.757 -0.101) 1.766 7.048 ( 0.149 1.757 -0.101) 1.766 7.130 ( 0.060 -1.812 0.160) 1.820 7.130 ( 0.060 1.812 0.160) 1.820 ======================= Grid point 120 (64/108) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.117 -1.407 3.138) 3.441 0.843 ( -0.117 1.407 3.138) 3.441 1.092 ( 2.589 -1.893 -3.209) 4.537 1.092 ( 2.589 1.893 -3.209) 4.537 1.273 ( -0.906 -1.559 0.415) 1.850 1.273 ( -0.906 1.559 0.415) 1.850 1.349 ( -0.200 -5.366 1.093) 5.480 1.349 ( -0.200 5.366 1.093) 5.480 1.731 ( 0.451 -0.688 -0.599) 1.018 1.731 ( 0.451 0.688 -0.599) 1.018 1.815 ( 0.867 -3.731 -2.541) 4.597 1.815 ( 0.867 3.731 -2.541) 4.597 2.082 ( -0.089 -2.213 0.762) 2.343 2.082 ( -0.089 2.213 0.762) 2.343 2.157 ( 0.717 -1.318 -1.377) 2.037 2.157 ( 0.717 1.318 -1.377) 2.037 2.321 ( -0.180 -1.899 -1.449) 2.396 2.321 ( -0.180 1.899 -1.449) 2.396 2.420 ( 0.983 -2.733 -1.181) 3.136 2.420 ( 0.983 2.733 -1.181) 3.136 2.721 ( 2.563 -3.959 1.339) 4.903 2.721 ( 2.563 3.959 1.339) 4.903 2.873 ( 4.566 -6.177 1.111) 7.761 2.873 ( 4.566 6.177 1.111) 7.761 4.302 ( -1.156 -1.891 0.736) 2.335 4.302 ( -1.156 1.891 0.736) 2.335 4.439 ( 0.774 -5.623 0.027) 5.676 4.439 ( 0.774 5.623 0.027) 5.676 4.474 ( -0.890 -3.550 -0.774) 3.741 4.474 ( -0.890 3.550 -0.774) 3.741 4.481 ( -0.119 -2.100 0.567) 2.178 4.481 ( -0.119 2.100 0.567) 2.178 5.084 ( -0.530 -0.860 -0.385) 1.081 5.084 ( -0.530 0.860 -0.385) 1.081 5.132 ( -0.150 -0.470 0.289) 0.571 5.132 ( -0.150 0.470 0.289) 0.571 5.227 ( 0.588 -2.168 -0.191) 2.254 5.227 ( 0.588 2.168 -0.191) 2.254 5.337 ( -0.309 -1.220 -0.036) 1.259 5.337 ( -0.309 1.220 -0.036) 1.259 6.125 ( 0.544 -1.295 0.453) 1.476 6.125 ( 0.544 1.295 0.453) 1.476 6.199 ( 0.715 -2.071 0.175) 2.198 6.199 ( 0.715 2.071 0.175) 2.198 7.054 ( 0.365 -0.984 0.025) 1.050 7.054 ( 0.365 0.984 0.025) 1.050 7.124 ( -0.523 -1.110 0.057) 1.228 7.124 ( -0.523 1.110 0.057) 1.228 ======================= Grid point 122 (65/108) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.218 -1.856 2.446) 3.078 0.874 ( 0.218 1.856 2.446) 3.078 1.115 ( 3.194 -1.523 -2.823) 4.526 1.115 ( 3.194 1.523 -2.823) 4.526 1.272 ( -0.044 -4.113 1.111) 4.261 1.272 ( -0.044 4.113 1.111) 4.261 1.349 ( -0.050 -6.355 -0.180) 6.358 1.349 ( -0.050 6.355 -0.180) 6.358 1.745 ( 1.289 -1.074 0.097) 1.681 1.745 ( 1.289 1.074 0.097) 1.681 1.820 ( 1.638 -3.712 -1.409) 4.295 1.820 ( 1.638 3.712 -1.409) 4.295 2.075 ( -1.169 -2.729 0.258) 2.980 2.075 ( -1.169 2.729 0.258) 2.980 2.167 ( 0.816 -1.305 -0.659) 1.674 2.167 ( 0.816 1.305 -0.659) 1.674 2.326 ( 1.980 -0.775 -0.590) 2.207 2.326 ( 1.980 0.775 -0.590) 2.207 2.446 ( 2.925 -2.440 -0.521) 3.844 2.446 ( 2.925 2.440 -0.521) 3.844 2.826 ( 7.300 -3.148 1.043) 8.018 2.826 ( 7.300 3.148 1.043) 8.018 2.993 ( 7.630 -5.144 -0.016) 9.202 2.993 ( 7.630 5.144 -0.016) 9.202 4.282 ( -1.705 -1.890 0.709) 2.642 4.282 ( -1.705 1.890 0.709) 2.642 4.425 ( -1.892 -3.208 -0.096) 3.726 4.425 ( -1.892 3.208 -0.096) 3.726 4.464 ( 0.673 -2.017 -1.573) 2.645 4.464 ( 0.673 2.017 -1.573) 2.645 4.484 ( -0.511 -1.137 1.292) 1.795 4.484 ( -0.511 1.137 1.292) 1.795 5.066 ( -0.953 -0.635 -0.276) 1.178 5.066 ( -0.953 0.635 -0.276) 1.178 5.131 ( -0.199 -1.125 0.263) 1.172 5.131 ( -0.199 1.125 0.263) 1.172 5.239 ( 0.875 -1.243 -0.359) 1.562 5.239 ( 0.875 1.243 -0.359) 1.562 5.328 ( -0.663 -0.636 0.107) 0.925 5.328 ( -0.663 0.636 0.107) 0.925 6.148 ( 1.432 -1.212 0.457) 1.931 6.148 ( 1.432 1.212 0.457) 1.931 6.217 ( 1.159 -1.224 -0.100) 1.688 6.217 ( 1.159 1.224 -0.100) 1.688 7.052 ( -0.300 -0.988 -0.576) 1.182 7.052 ( -0.300 0.988 -0.576) 1.182 7.122 ( -0.043 -0.710 0.636) 0.954 7.122 ( -0.043 0.710 0.636) 0.954 ======================= Grid point 124 (66/108) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -0.650 -2.624 1.484) 3.084 0.888 ( -0.650 2.624 1.484) 3.084 1.142 ( 2.746 -2.750 -3.394) 5.159 1.142 ( 2.746 2.750 -3.394) 5.159 1.284 ( -0.219 -4.474 1.402) 4.693 1.284 ( -0.219 4.474 1.402) 4.693 1.356 ( 1.049 -5.000 0.132) 5.110 1.356 ( 1.049 5.000 0.132) 5.110 1.768 ( 0.784 -0.977 0.490) 1.345 1.768 ( 0.784 0.977 0.490) 1.345 1.842 ( 1.362 -2.440 0.132) 2.797 1.842 ( 1.362 2.440 0.132) 2.797 2.055 ( -1.107 -3.644 0.469) 3.837 2.055 ( -1.107 3.644 0.469) 3.837 2.164 ( -0.244 -2.778 -0.506) 2.834 2.164 ( -0.244 2.778 -0.506) 2.834 2.371 ( 2.309 -0.185 0.979) 2.514 2.371 ( 2.309 0.185 0.979) 2.514 2.500 ( 2.714 -2.410 0.025) 3.630 2.500 ( 2.714 2.410 0.025) 3.630 2.962 ( 6.048 -2.369 0.757) 6.539 2.962 ( 6.048 2.369 0.757) 6.539 3.112 ( 5.708 -3.499 -1.223) 6.806 3.112 ( 5.708 3.499 -1.223) 6.806 4.261 ( -1.410 -1.302 0.967) 2.149 4.261 ( -1.410 1.302 0.967) 2.149 4.391 ( -1.350 -2.521 -0.622) 2.927 4.391 ( -1.350 2.521 -0.622) 2.927 4.452 ( -0.125 -2.367 -1.689) 2.911 4.452 ( -0.125 2.367 -1.689) 2.911 4.490 ( -0.176 -1.969 1.216) 2.321 4.490 ( -0.176 1.969 1.216) 2.321 5.052 ( -0.514 -1.170 0.304) 1.313 5.052 ( -0.514 1.170 0.304) 1.313 5.129 ( -0.183 -1.594 -0.087) 1.607 5.129 ( -0.183 1.594 -0.087) 1.607 5.251 ( 0.928 -1.570 -0.236) 1.839 5.251 ( 0.928 1.570 -0.236) 1.839 5.315 ( -0.905 -1.028 0.105) 1.373 5.315 ( -0.905 1.028 0.105) 1.373 6.175 ( 1.062 -2.956 0.020) 3.141 6.175 ( 1.062 2.956 0.020) 3.141 6.234 ( 0.862 -2.117 -0.159) 2.291 6.234 ( 0.862 2.117 -0.159) 2.291 7.042 ( -0.145 -1.735 -0.203) 1.753 7.042 ( -0.145 1.735 -0.203) 1.753 7.126 ( -0.136 -1.306 0.144) 1.321 7.126 ( -0.136 1.306 0.144) 1.321 ======================= Grid point 154 (67/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.659 0.000 8.356) 8.382 0.502 ( 3.617 0.000 7.518) 8.343 0.674 ( -2.779 0.000 -0.039) 2.780 0.680 ( -0.867 0.000 -2.825) 2.955 0.852 ( 0.995 0.000 12.859) 12.898 1.106 ( 0.424 0.000 -11.409) 11.417 1.475 ( -2.741 0.000 1.417) 3.086 1.513 ( 3.417 0.000 -2.227) 4.079 1.675 ( 1.581 0.000 0.229) 1.598 1.683 ( -1.547 0.000 -0.516) 1.631 1.778 ( -0.031 0.000 2.267) 2.267 1.831 ( -1.982 0.000 -2.640) 3.301 1.971 ( -1.280 0.000 0.904) 1.567 1.983 ( 2.632 0.000 -0.028) 2.632 2.036 ( -3.702 0.000 2.201) 4.307 2.082 ( 4.343 0.000 -2.308) 4.918 2.449 ( -2.996 0.000 0.097) 2.997 2.454 ( 3.267 0.000 -0.477) 3.301 2.636 ( 2.618 0.000 -0.674) 2.704 2.637 ( -3.900 0.000 -1.112) 4.056 2.641 ( 1.772 0.000 1.303) 2.200 2.676 ( -1.197 0.000 -2.155) 2.465 3.201 ( -3.519 0.000 2.447) 4.286 3.228 ( 2.373 0.000 -0.446) 2.415 3.949 ( 1.791 0.000 3.755) 4.160 4.020 ( -2.124 0.000 -3.619) 4.197 4.231 ( 1.868 0.000 1.392) 2.330 4.256 ( -1.496 0.000 -1.269) 1.962 4.573 ( -1.224 0.000 1.413) 1.870 4.601 ( 1.076 0.000 -1.487) 1.835 4.899 ( -0.588 0.000 3.061) 3.116 4.955 ( -0.138 0.000 -2.611) 2.614 5.032 ( 1.541 0.000 -0.017) 1.541 5.033 ( -1.062 0.000 -0.093) 1.066 5.091 ( 0.076 0.000 0.611) 0.616 5.097 ( -0.448 0.000 0.199) 0.490 5.118 ( -0.203 0.000 0.382) 0.433 5.135 ( 0.446 0.000 -1.044) 1.135 5.474 ( 0.698 0.000 0.480) 0.847 5.483 ( -0.591 0.000 -0.436) 0.734 6.051 ( 0.267 0.000 2.445) 2.460 6.097 ( 0.581 0.000 -2.226) 2.301 6.473 ( 1.354 0.000 0.614) 1.487 6.490 ( -1.261 0.000 -1.092) 1.669 6.776 ( -0.401 0.000 -0.370) 0.546 6.784 ( 0.088 0.000 -1.213) 1.216 7.231 ( 2.606 0.000 2.085) 3.337 7.260 ( -1.349 0.000 -0.888) 1.615 ======================= Grid point 155 (68/108) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 10.083 0.000 -0.317) 10.088 0.654 ( 8.647 0.000 -6.464) 10.796 0.761 ( 8.515 0.000 -0.649) 8.540 0.762 ( 9.546 0.000 7.903) 12.393 1.028 ( 5.711 0.000 -11.801) 13.111 1.032 ( 7.336 0.000 9.129) 11.711 1.387 ( -8.605 0.000 0.407) 8.615 1.499 ( -2.594 0.000 -1.569) 3.032 1.629 ( -3.613 0.000 -0.818) 3.704 1.668 ( -2.959 0.000 0.588) 3.016 1.799 ( 0.063 0.000 0.231) 0.240 1.838 ( 2.680 0.000 2.764) 3.850 1.994 ( 1.300 0.000 1.577) 2.044 2.003 ( 5.776 0.000 -1.565) 5.984 2.081 ( 4.681 0.000 -0.785) 4.746 2.150 ( 5.033 0.000 -1.694) 5.310 2.374 ( -5.087 0.000 0.278) 5.094 2.449 ( -4.761 0.000 -0.074) 4.762 2.591 ( 1.126 0.000 -0.553) 1.255 2.663 ( 1.422 0.000 -1.391) 1.989 2.666 ( 1.227 0.000 0.510) 1.329 2.709 ( 3.192 0.000 1.608) 3.574 3.224 ( 2.762 0.000 1.044) 2.952 3.314 ( 6.756 0.000 0.099) 6.757 3.961 ( -0.624 0.000 -3.054) 3.117 4.027 ( 2.730 0.000 3.751) 4.639 4.208 ( -2.257 0.000 -1.544) 2.734 4.264 ( 0.589 0.000 0.690) 0.907 4.550 ( -2.726 0.000 1.502) 3.113 4.590 ( -0.793 0.000 -1.154) 1.401 4.906 ( -1.863 0.000 3.175) 3.681 4.920 ( -0.995 0.000 -2.068) 2.295 5.013 ( -0.912 0.000 -0.373) 0.986 5.052 ( 0.708 0.000 -0.288) 0.764 5.085 ( -0.989 0.000 0.079) 0.992 5.097 ( -0.027 0.000 0.375) 0.376 5.126 ( 0.400 0.000 0.573) 0.699 5.140 ( 1.194 0.000 -0.877) 1.481 5.463 ( -1.062 0.000 -0.408) 1.138 5.487 ( 0.306 0.000 0.270) 0.408 6.052 ( -2.396 0.000 -2.215) 3.263 6.056 ( -1.682 0.000 1.056) 1.986 6.443 ( -2.520 0.000 -0.837) 2.655 6.489 ( -0.241 0.000 0.886) 0.918 6.783 ( 0.932 0.000 0.786) 1.219 6.788 ( 0.821 0.000 -0.103) 0.827 7.249 ( 1.561 0.000 -1.469) 2.143 7.313 ( 4.860 0.000 -0.617) 4.899 ======================= Grid point 156 (69/108) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 7.890 0.000 -10.172) 12.873 0.782 ( 11.411 0.000 -4.502) 12.267 0.897 ( 5.895 0.000 3.463) 6.837 0.955 ( 1.917 0.000 9.383) 9.576 1.164 ( 15.499 0.000 -4.341) 16.096 1.197 ( -9.793 0.000 -1.373) 9.888 1.280 ( 12.896 0.000 1.151) 12.947 1.412 ( -4.410 0.000 -2.198) 4.928 1.548 ( -3.770 0.000 -1.552) 4.077 1.589 ( -6.072 0.000 0.976) 6.149 1.824 ( 0.901 0.000 2.210) 2.387 1.895 ( 1.693 0.000 0.719) 1.840 2.053 ( 1.769 0.000 2.341) 2.934 2.112 ( 7.103 0.000 -3.497) 7.917 2.137 ( 1.773 0.000 -2.464) 3.036 2.236 ( 6.240 0.000 -0.111) 6.241 2.315 ( -0.862 0.000 1.904) 2.090 2.323 ( -9.006 0.000 0.658) 9.030 2.625 ( 2.665 0.000 -0.940) 2.826 2.684 ( 0.381 0.000 0.348) 0.516 2.696 ( 2.512 0.000 0.306) 2.531 2.769 ( 1.629 0.000 1.504) 2.217 3.288 ( 3.507 0.000 0.440) 3.534 3.421 ( 3.905 0.000 0.231) 3.912 3.955 ( 2.216 0.000 -1.100) 2.474 4.106 ( 2.619 0.000 2.376) 3.536 4.152 ( -2.351 0.000 -1.462) 2.768 4.263 ( -0.804 0.000 -0.377) 0.888 4.515 ( -2.615 0.000 1.642) 3.087 4.560 ( -1.342 0.000 -0.776) 1.550 4.890 ( -0.390 0.000 -1.491) 1.541 4.897 ( -2.289 0.000 2.749) 3.577 4.996 ( -0.430 0.000 -0.473) 0.639 5.052 ( -0.234 0.000 -0.485) 0.539 5.068 ( -0.999 0.000 0.332) 1.053 5.093 ( -0.355 0.000 -0.472) 0.590 5.138 ( 0.279 0.000 0.541) 0.608 5.157 ( 1.271 0.000 -0.666) 1.435 5.446 ( -0.680 0.000 0.276) 0.734 5.490 ( -0.071 0.000 -0.213) 0.225 5.991 ( -2.441 0.000 -1.294) 2.763 6.015 ( -2.193 0.000 -1.553) 2.687 6.409 ( -1.144 0.000 0.977) 1.504 6.486 ( -0.860 0.000 0.628) 1.065 6.808 ( 1.025 0.000 0.834) 1.321 6.816 ( 1.188 0.000 1.654) 2.037 7.281 ( 2.574 0.000 -0.257) 2.587 7.374 ( 3.460 0.000 -2.401) 4.212 ======================= Grid point 157 (70/108) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 10.608 0.000 -7.558) 13.025 0.909 ( -9.557 0.000 1.174) 9.629 0.946 ( 5.241 0.000 -0.150) 5.243 0.985 ( -0.163 0.000 2.118) 2.124 1.124 ( 1.866 0.000 4.748) 5.102 1.297 ( -3.922 0.000 -0.586) 3.965 1.384 ( 6.853 0.000 -1.542) 7.025 1.471 ( 4.923 0.000 -2.648) 5.590 1.500 ( -2.444 0.000 0.786) 2.568 1.505 ( 1.888 0.000 -2.411) 3.062 1.860 ( 0.593 0.000 2.479) 2.548 1.913 ( 0.518 0.000 -0.710) 0.879 2.072 ( -0.985 0.000 1.584) 1.866 2.125 ( 1.048 0.000 -1.167) 1.568 2.152 ( -9.452 0.000 0.754) 9.482 2.160 ( 2.407 0.000 -3.430) 4.190 2.352 ( 5.066 0.000 -0.314) 5.075 2.356 ( 1.001 0.000 1.675) 1.952 2.662 ( 2.138 0.000 -0.309) 2.160 2.685 ( -0.420 0.000 -0.094) 0.430 2.745 ( 2.327 0.000 0.963) 2.519 2.786 ( -0.934 0.000 0.735) 1.188 3.356 ( 3.338 0.000 1.253) 3.565 3.441 ( -0.814 0.000 -1.178) 1.432 4.005 ( 3.056 0.000 0.554) 3.106 4.086 ( -2.941 0.000 -1.441) 3.275 4.173 ( 2.279 0.000 1.351) 2.649 4.235 ( -1.407 0.000 -1.099) 1.785 4.497 ( -1.054 0.000 1.830) 2.112 4.534 ( -0.576 0.000 -0.823) 1.005 4.877 ( -2.207 0.000 1.800) 2.848 4.881 ( 0.762 0.000 -0.933) 1.204 4.997 ( 0.729 0.000 0.274) 0.778 5.036 ( -0.869 0.000 -0.822) 1.196 5.059 ( -0.477 0.000 0.644) 0.801 5.081 ( -0.152 0.000 -0.893) 0.906 5.146 ( 0.006 0.000 0.591) 0.591 5.165 ( 0.447 0.000 -0.881) 0.987 5.448 ( 0.217 0.000 0.983) 1.007 5.482 ( -0.341 0.000 -0.669) 0.751 5.949 ( -1.215 0.000 -0.415) 1.284 5.969 ( -0.950 0.000 -1.886) 2.112 6.420 ( 0.585 0.000 1.979) 2.064 6.471 ( -0.953 0.000 -0.199) 0.973 6.835 ( 0.896 0.000 1.136) 1.447 6.844 ( 0.254 0.000 1.290) 1.315 7.320 ( 1.171 0.000 1.052) 1.575 7.390 ( 1.463 0.000 -3.301) 3.611 ======================= Grid point 158 (71/108) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -13.754 0.000 4.592) 14.501 0.898 ( -8.494 0.000 1.180) 8.575 0.985 ( 10.881 0.000 -3.723) 11.500 1.019 ( 0.917 0.000 -1.099) 1.431 1.224 ( -0.608 0.000 -4.469) 4.511 1.229 ( 3.709 0.000 4.562) 5.879 1.407 ( -8.425 0.000 -2.434) 8.770 1.414 ( -5.888 0.000 2.296) 6.319 1.470 ( -2.217 0.000 0.894) 2.390 1.527 ( 3.454 0.000 -1.488) 3.761 1.886 ( -0.238 0.000 2.010) 2.024 1.902 ( -0.425 0.000 -1.690) 1.742 2.064 ( -0.541 0.000 1.309) 1.417 2.092 ( -1.820 0.000 3.168) 3.654 2.149 ( -0.407 0.000 -2.846) 2.875 2.172 ( 7.325 0.000 -0.896) 7.380 2.336 ( -4.791 0.000 1.176) 4.933 2.386 ( -0.203 0.000 -1.093) 1.112 2.666 ( -1.419 0.000 -0.703) 1.584 2.689 ( 1.263 0.000 -0.435) 1.336 2.757 ( -2.377 0.000 -0.155) 2.382 2.788 ( 1.304 0.000 0.528) 1.407 3.387 ( -3.222 0.000 -2.023) 3.805 3.423 ( 2.566 0.000 0.988) 2.749 4.016 ( -3.743 0.000 -0.776) 3.822 4.061 ( 2.281 0.000 1.369) 2.660 4.198 ( -1.350 0.000 -1.541) 2.049 4.219 ( 1.921 0.000 0.746) 2.061 4.510 ( 0.477 0.000 1.713) 1.779 4.527 ( 0.917 0.000 -1.210) 1.518 4.859 ( -1.294 0.000 1.374) 1.888 4.899 ( 1.940 0.000 -0.491) 2.001 5.009 ( -1.022 0.000 -1.036) 1.455 5.020 ( 0.985 0.000 0.835) 1.292 5.064 ( 0.206 0.000 0.825) 0.850 5.073 ( 0.257 0.000 -0.821) 0.860 5.149 ( -0.308 0.000 0.711) 0.775 5.160 ( -0.002 0.000 -0.865) 0.865 5.466 ( 0.621 0.000 0.964) 1.146 5.467 ( -0.380 0.000 -0.963) 1.036 5.942 ( 0.233 0.000 0.671) 0.711 5.952 ( 0.548 0.000 -0.784) 0.957 6.451 ( -0.494 0.000 -1.181) 1.280 6.456 ( 1.501 0.000 1.419) 2.065 6.846 ( -0.804 0.000 0.205) 0.829 6.854 ( 0.198 0.000 0.427) 0.471 7.338 ( -0.695 0.000 1.875) 2.000 7.365 ( -0.577 0.000 -3.628) 3.673 ======================= Grid point 159 (72/108) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -10.407 0.000 9.873) 14.345 0.697 ( -14.600 0.000 3.683) 15.058 0.956 ( -5.432 0.000 -2.227) 5.870 1.082 ( -22.447 0.000 3.345) 22.695 1.122 ( -4.079 0.000 -7.863) 8.858 1.162 ( 2.903 0.000 1.709) 3.369 1.306 ( -0.130 0.000 -1.100) 1.108 1.361 ( 5.105 0.000 2.904) 5.873 1.523 ( 4.733 0.000 0.996) 4.836 1.604 ( 5.273 0.000 -0.516) 5.298 1.871 ( -0.959 0.000 -2.303) 2.495 1.890 ( -0.959 0.000 1.231) 1.560 2.039 ( -7.272 0.000 3.512) 8.076 2.090 ( -1.937 0.000 1.436) 2.411 2.102 ( -0.904 0.000 -1.776) 1.993 2.228 ( -6.411 0.000 0.575) 6.437 2.330 ( 7.964 0.000 0.450) 7.977 2.360 ( 0.653 0.000 -2.502) 2.586 2.627 ( -1.621 0.000 -1.094) 1.956 2.698 ( 0.386 0.000 -0.913) 0.991 2.705 ( -3.123 0.000 -0.502) 3.163 2.788 ( -1.378 0.000 -0.442) 1.447 3.305 ( -3.872 0.000 -1.368) 4.107 3.439 ( -1.356 0.000 -1.727) 2.196 3.944 ( -3.753 0.000 0.060) 3.753 4.111 ( 1.450 0.000 1.570) 2.137 4.159 ( -0.837 0.000 -2.007) 2.174 4.256 ( 1.675 0.000 0.405) 1.723 4.540 ( 1.048 0.000 1.379) 1.732 4.545 ( 2.466 0.000 -1.465) 2.868 4.859 ( -0.341 0.000 1.646) 1.681 4.936 ( 2.677 0.000 -0.759) 2.782 4.990 ( -0.181 0.000 -0.334) 0.380 5.040 ( 0.373 0.000 0.752) 0.839 5.075 ( 0.560 0.000 -0.399) 0.688 5.080 ( 0.629 0.000 0.791) 1.011 5.145 ( -0.923 0.000 0.565) 1.082 5.151 ( -0.137 0.000 -0.773) 0.785 5.455 ( 0.066 0.000 -0.685) 0.688 5.482 ( 0.388 0.000 0.517) 0.647 5.971 ( 1.575 0.000 0.558) 1.671 5.973 ( 1.801 0.000 2.431) 3.025 6.436 ( 0.372 0.000 -1.588) 1.631 6.491 ( 1.370 0.000 0.226) 1.389 6.824 ( -1.222 0.000 -0.636) 1.378 6.846 ( -0.757 0.000 -1.073) 1.313 7.302 ( -2.982 0.000 -3.055) 4.269 7.331 ( -2.169 0.000 1.936) 2.907 ======================= Grid point 160 (73/108) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -8.518 0.000 11.174) 14.050 0.507 ( -11.639 0.000 8.472) 14.396 0.768 ( -16.262 0.000 10.792) 19.517 0.833 ( -5.360 0.000 -1.155) 5.483 0.859 ( -14.015 0.000 -2.956) 14.323 1.181 ( 0.866 0.000 -6.214) 6.274 1.413 ( 9.312 0.000 -2.045) 9.534 1.465 ( 2.720 0.000 1.932) 3.336 1.616 ( 4.419 0.000 0.572) 4.456 1.678 ( 2.854 0.000 -0.389) 2.880 1.818 ( -3.347 0.000 -1.342) 3.607 1.875 ( -1.123 0.000 -0.395) 1.191 1.954 ( -3.260 0.000 2.834) 4.320 2.022 ( -3.866 0.000 -1.184) 4.044 2.069 ( -1.901 0.000 0.155) 1.907 2.123 ( -6.335 0.000 1.206) 6.449 2.391 ( 4.329 0.000 -1.544) 4.596 2.445 ( 3.687 0.000 0.539) 3.726 2.604 ( 0.786 0.000 -1.499) 1.692 2.648 ( -2.507 0.000 0.144) 2.511 2.685 ( -0.677 0.000 -1.417) 1.571 2.740 ( -2.913 0.000 -1.383) 3.224 3.238 ( -2.403 0.000 -0.483) 2.451 3.323 ( -8.706 0.000 -1.780) 8.886 3.909 ( -0.887 0.000 2.273) 2.440 4.090 ( -2.045 0.000 -2.814) 3.479 4.179 ( 2.265 0.000 1.437) 2.682 4.276 ( 0.431 0.000 -0.668) 0.795 4.566 ( 0.411 0.000 1.303) 1.366 4.580 ( 2.708 0.000 -1.538) 3.114 4.876 ( 0.071 0.000 2.345) 2.346 4.963 ( 1.922 0.000 -2.605) 3.237 5.004 ( 1.286 0.000 0.643) 1.438 5.046 ( -0.381 0.000 0.404) 0.555 5.083 ( 0.402 0.000 0.163) 0.434 5.095 ( 0.248 0.000 0.598) 0.647 5.129 ( -1.129 0.000 0.205) 1.148 5.141 ( -0.068 0.000 -0.874) 0.876 5.459 ( 0.633 0.000 0.052) 0.635 5.489 ( 0.059 0.000 0.096) 0.112 6.012 ( 1.562 0.000 1.822) 2.399 6.051 ( 4.051 0.000 1.914) 4.481 6.441 ( 1.541 0.000 -0.561) 1.640 6.505 ( 0.424 0.000 -0.691) 0.811 6.797 ( -1.053 0.000 -0.832) 1.342 6.811 ( -1.219 0.000 -2.001) 2.343 7.224 ( -3.388 0.000 0.590) 3.439 7.299 ( -2.734 0.000 0.862) 2.866 ======================= Grid point 161 (74/108) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -1.507 -0.027 10.238) 10.348 0.599 ( 4.944 5.989 -0.222) 7.769 0.702 ( -0.757 4.683 0.576) 4.779 0.770 ( -2.325 7.821 -3.747) 8.979 0.921 ( 0.667 5.678 11.872) 13.177 1.119 ( 0.144 0.938 -8.508) 8.561 1.489 ( -2.187 1.036 1.649) 2.928 1.524 ( 2.888 0.728 -1.707) 3.432 1.688 ( 1.059 1.247 0.428) 1.691 1.696 ( -0.979 1.165 -0.473) 1.594 1.812 ( 0.504 2.062 0.085) 2.125 1.832 ( -1.887 -0.151 -1.273) 2.281 1.980 ( -1.461 1.110 0.863) 2.028 2.002 ( 2.404 1.608 -1.026) 3.069 2.011 ( -2.739 -2.008 1.906) 3.894 2.060 ( 2.901 -1.587 -3.350) 4.707 2.456 ( -1.560 0.458 0.728) 1.781 2.472 ( 1.940 1.531 -0.799) 2.597 2.563 ( -0.895 -3.148 0.690) 3.345 2.591 ( 0.958 -2.740 -2.032) 3.543 2.727 ( 0.981 3.974 -0.602) 4.137 2.735 ( -1.833 4.173 -1.427) 4.776 3.211 ( -3.096 0.797 2.879) 4.302 3.242 ( 2.756 1.149 -0.452) 3.020 3.969 ( 1.454 1.889 3.371) 4.129 4.038 ( -1.876 1.565 -3.809) 4.525 4.245 ( 1.952 1.183 0.971) 2.480 4.259 ( -1.545 0.351 -0.576) 1.686 4.558 ( -1.134 -1.482 1.501) 2.394 4.587 ( 1.029 -1.300 -1.588) 2.296 4.870 ( -0.644 -2.547 2.431) 3.579 4.912 ( 0.207 -3.444 -1.815) 3.899 5.029 ( 0.802 -0.498 0.551) 1.093 5.039 ( -0.764 -0.604 -0.364) 1.040 5.075 ( -0.584 0.063 0.389) 0.704 5.084 ( 0.668 -0.082 -0.434) 0.801 5.149 ( 0.236 2.166 1.171) 2.474 5.172 ( -0.144 2.253 -1.164) 2.540 5.459 ( 0.651 -1.474 0.411) 1.662 5.466 ( -0.551 -1.607 -0.341) 1.732 6.055 ( 0.253 0.459 1.767) 1.843 6.081 ( 0.223 -0.866 -0.562) 1.057 6.436 ( 1.253 -2.780 0.490) 3.088 6.453 ( -1.267 -3.052 -1.164) 3.503 6.832 ( 0.607 3.917 -0.350) 3.979 6.843 ( -0.837 5.009 -1.637) 5.336 7.218 ( 2.043 -1.275 2.020) 3.143 7.247 ( -1.166 -1.296 -0.991) 2.005 ======================= Grid point 162 (75/108) ======================= q-point: ( 0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 7.577 -1.962 2.543) 8.229 0.631 ( 5.912 -2.518 -5.315) 8.339 0.795 ( 6.827 4.527 -4.456) 9.325 0.822 ( 5.419 4.659 6.764) 9.840 1.071 ( 5.556 4.054 -0.598) 6.904 1.099 ( 7.987 4.234 -0.666) 9.065 1.402 ( -8.379 1.616 0.521) 8.549 1.494 ( -3.963 -0.749 -1.471) 4.294 1.656 ( -2.202 2.364 -0.413) 3.257 1.684 ( -2.248 1.697 0.238) 2.827 1.806 ( -0.010 0.508 0.440) 0.672 1.849 ( 2.097 0.821 1.275) 2.588 1.993 ( 1.841 0.300 1.080) 2.155 2.015 ( 3.703 0.228 1.023) 3.849 2.080 ( 5.836 0.489 -2.295) 6.290 2.114 ( 4.596 -3.078 -1.012) 5.623 2.399 ( -4.073 2.169 0.479) 4.640 2.462 ( -3.746 0.855 -0.436) 3.867 2.568 ( 0.854 -2.416 -0.275) 2.577 2.609 ( 2.772 -2.100 -0.622) 3.533 2.693 ( -0.872 1.494 0.535) 1.811 2.753 ( 0.779 2.787 0.850) 3.016 3.223 ( 1.478 -0.130 1.099) 1.846 3.319 ( 5.864 0.226 -0.990) 5.951 3.982 ( -0.468 1.930 -2.723) 3.370 4.040 ( 2.469 1.224 3.520) 4.470 4.216 ( -2.318 0.773 -1.088) 2.675 4.276 ( 0.754 1.005 0.262) 1.283 4.541 ( -2.260 -0.885 1.580) 2.896 4.579 ( -0.398 -1.150 -1.346) 1.815 4.860 ( -2.281 -3.313 1.374) 4.251 4.899 ( -0.241 -2.464 -0.633) 2.555 5.018 ( -0.773 0.140 -0.358) 0.863 5.058 ( 1.352 -1.159 0.394) 1.824 5.068 ( -0.499 0.430 0.190) 0.686 5.090 ( 0.412 0.301 -0.359) 0.624 5.152 ( -0.635 1.490 -0.609) 1.730 5.167 ( 0.477 2.196 0.392) 2.281 5.450 ( -0.829 -1.288 -0.353) 1.572 5.472 ( 0.439 -1.463 0.223) 1.543 6.051 ( -2.063 0.013 -1.295) 2.436 6.057 ( -1.409 0.252 0.595) 1.551 6.411 ( -2.096 -2.640 -0.682) 3.439 6.456 ( 0.183 -2.777 0.806) 2.897 6.813 ( -0.603 3.637 0.028) 3.687 6.856 ( 1.150 4.588 0.476) 4.754 7.231 ( 1.186 -1.643 -1.353) 2.436 7.292 ( 4.203 -1.963 -0.133) 4.640 ======================= Grid point 163 (76/108) ======================= q-point: ( 0.29 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 11.291 -4.703 -6.840) 14.014 0.763 ( 8.584 0.815 -5.489) 10.222 0.865 ( 5.038 -1.728 2.216) 5.769 0.978 ( 3.928 1.514 7.264) 8.396 1.183 ( 4.144 0.351 -1.875) 4.562 1.231 ( -6.969 2.809 -0.017) 7.514 1.252 ( 5.907 -0.556 -0.190) 5.937 1.393 ( -4.831 -1.955 -1.585) 5.447 1.627 ( -1.705 3.801 0.164) 4.169 1.650 ( 1.986 7.776 -1.293) 8.129 1.828 ( 0.969 0.244 1.520) 1.819 1.892 ( 1.648 -0.335 0.158) 1.689 2.048 ( 1.512 -0.424 1.888) 2.456 2.099 ( 4.553 -0.982 -1.839) 5.008 2.152 ( 3.730 0.912 -2.559) 4.614 2.189 ( 3.570 -3.631 1.846) 5.416 2.326 ( -5.479 2.813 -0.035) 6.159 2.389 ( -2.249 3.467 1.541) 4.410 2.577 ( 1.230 -4.772 -0.652) 4.971 2.658 ( 2.179 0.253 -0.158) 2.200 2.702 ( 0.931 -2.198 0.775) 2.510 2.770 ( -0.256 0.475 1.505) 1.599 3.264 ( 2.255 -2.337 0.425) 3.275 3.396 ( 3.242 -2.427 -1.209) 4.226 3.978 ( 2.023 2.167 -1.002) 3.130 4.114 ( 2.426 0.754 2.697) 3.705 4.161 ( -2.522 1.007 -1.292) 3.007 4.275 ( -0.539 1.075 -0.728) 1.406 4.515 ( -2.192 -0.006 1.689) 2.767 4.555 ( -0.839 -0.580 -1.087) 1.490 4.833 ( -1.726 -3.657 1.031) 4.174 4.886 ( -0.809 -2.190 -0.280) 2.351 5.004 ( -0.322 0.625 -0.265) 0.752 5.059 ( -0.402 0.578 -0.409) 0.814 5.077 ( 0.206 0.309 0.213) 0.428 5.095 ( 0.381 0.444 0.054) 0.587 5.136 ( -0.399 0.233 -0.416) 0.622 5.177 ( 0.294 1.587 -0.126) 1.619 5.437 ( -0.434 -0.859 0.269) 0.999 5.478 ( 0.139 -1.155 -0.179) 1.177 5.999 ( -2.229 0.774 -0.990) 2.558 6.021 ( -1.946 0.713 -1.261) 2.426 6.382 ( -1.092 -2.302 1.030) 2.748 6.457 ( -0.619 -2.563 0.440) 2.673 6.821 ( 0.612 2.421 1.255) 2.795 6.879 ( 0.641 4.196 0.793) 4.318 7.257 ( 2.342 -2.193 -0.375) 3.230 7.348 ( 2.952 -2.375 -1.719) 4.161 ======================= Grid point 164 (77/108) ======================= q-point: ( 0.43 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 9.691 0.116 -5.476) 11.132 0.882 ( 6.430 -1.973 -3.004) 7.366 0.930 ( -1.017 -0.848 2.119) 2.499 1.012 ( -7.459 3.055 1.124) 8.139 1.116 ( 2.566 0.024 3.430) 4.284 1.226 ( -2.253 -6.521 -0.712) 6.936 1.291 ( 0.081 -3.362 1.188) 3.567 1.341 ( -1.243 -5.337 -1.198) 5.609 1.649 ( 3.539 9.147 0.428) 9.817 1.712 ( 4.544 11.076 -2.901) 12.319 1.859 ( 0.716 -0.131 1.808) 1.950 1.908 ( 0.666 -0.501 -0.980) 1.286 2.059 ( -1.708 -0.956 1.676) 2.577 2.111 ( -0.723 -1.300 -2.205) 2.660 2.169 ( 0.321 0.982 -0.800) 1.307 2.179 ( -4.052 1.606 -0.127) 4.361 2.313 ( 3.204 -1.240 2.282) 4.124 2.396 ( 0.236 1.492 -0.617) 1.631 2.615 ( 2.937 -4.618 0.688) 5.516 2.669 ( -0.410 -1.458 -0.499) 1.595 2.736 ( 1.908 -1.716 0.419) 2.600 2.764 ( -1.864 -1.397 1.124) 2.587 3.313 ( 2.107 -4.166 1.645) 4.949 3.403 ( -0.181 -3.662 -2.389) 4.376 4.021 ( 2.661 1.644 0.507) 3.168 4.099 ( -2.815 1.365 -1.381) 3.420 4.177 ( 2.061 0.471 1.744) 2.740 4.248 ( -1.213 1.215 -1.429) 2.233 4.501 ( -1.139 0.340 1.800) 2.157 4.535 ( -0.120 0.023 -1.089) 1.096 4.823 ( -0.817 -3.652 1.702) 4.111 4.866 ( -0.485 -2.352 -1.168) 2.670 5.007 ( 0.579 0.806 0.419) 1.077 5.044 ( -0.766 0.701 -0.842) 1.336 5.078 ( -0.009 1.532 0.341) 1.570 5.095 ( -0.208 1.142 -0.495) 1.262 5.138 ( 0.432 -0.617 0.634) 0.985 5.172 ( -0.289 0.620 -0.931) 1.155 5.442 ( 0.311 -0.587 0.929) 1.142 5.473 ( -0.229 -0.809 -0.588) 1.026 5.963 ( -1.071 1.219 -0.326) 1.654 5.980 ( -0.964 1.121 -1.538) 2.133 6.392 ( 0.445 -2.478 1.978) 3.202 6.444 ( -0.810 -2.475 -0.402) 2.635 6.850 ( 0.880 1.999 1.791) 2.825 6.889 ( -0.103 3.247 0.132) 3.251 7.295 ( 1.380 -2.330 0.936) 2.865 7.362 ( 0.931 -2.615 -2.695) 3.869 ======================= Grid point 165 (78/108) ======================= q-point: (-0.43 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -12.284 3.757 3.137) 13.223 0.843 ( -10.947 -3.634 0.822) 11.563 0.978 ( 4.193 -1.164 -2.681) 5.111 1.037 ( 8.655 1.700 -1.605) 8.965 1.174 ( -0.970 -3.186 -1.833) 3.802 1.210 ( 3.986 -1.608 1.022) 4.418 1.277 ( -2.640 -4.966 2.253) 6.059 1.334 ( -0.300 -4.819 -0.582) 4.863 1.665 ( -3.558 10.761 1.765) 11.471 1.676 ( -4.861 9.916 -2.318) 11.284 1.880 ( -0.399 -0.499 1.623) 1.744 1.896 ( -0.461 -0.623 -1.689) 1.858 2.053 ( -0.250 -0.696 2.120) 2.245 2.097 ( 1.057 -1.108 -0.493) 1.609 2.140 ( -1.607 1.252 0.672) 2.145 2.200 ( 4.678 1.274 -1.151) 4.983 2.353 ( -2.932 1.358 -1.119) 3.420 2.374 ( 0.990 -0.832 0.964) 1.613 2.638 ( -1.942 -3.763 -1.536) 4.504 2.666 ( 1.808 -1.590 -0.195) 2.415 2.733 ( -2.095 -2.200 0.719) 3.122 2.773 ( 1.714 -1.244 0.259) 2.133 3.329 ( -3.003 -5.117 0.679) 5.972 3.390 ( 2.279 -3.514 -1.692) 4.517 4.031 ( -3.452 1.535 -0.421) 3.801 4.076 ( 2.269 1.499 1.015) 2.903 4.210 ( -1.216 1.134 -1.772) 2.430 4.224 ( 1.650 0.533 1.083) 2.044 4.508 ( -0.013 -0.154 1.703) 1.710 4.532 ( 1.139 0.406 -1.362) 1.821 4.826 ( -0.918 -2.890 1.668) 3.461 4.863 ( 1.622 -3.207 -1.077) 3.752 5.018 ( -0.985 0.862 -0.625) 1.450 5.028 ( 0.800 0.725 0.638) 1.254 5.085 ( 0.095 1.344 0.249) 1.370 5.086 ( 0.015 1.290 -0.216) 1.308 5.147 ( -0.634 -0.124 0.147) 0.662 5.162 ( 0.674 0.174 -0.373) 0.789 5.458 ( -0.007 -0.746 0.229) 0.781 5.461 ( 0.044 -0.627 -0.220) 0.666 5.956 ( 0.097 1.323 0.501) 1.418 5.967 ( 0.773 1.387 -0.550) 1.680 6.424 ( -0.091 -2.523 -0.667) 2.611 6.427 ( 1.055 -2.590 0.864) 2.927 6.875 ( -0.424 2.574 0.138) 2.613 6.880 ( 0.133 2.289 0.333) 2.317 7.316 ( -0.566 -2.054 1.457) 2.581 7.334 ( -0.846 -2.795 -2.724) 3.993 ======================= Grid point 166 (79/108) ======================= q-point: (-0.29 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -12.665 -1.005 6.194) 14.134 0.640 ( -11.871 1.507 5.400) 13.128 0.925 ( -5.922 -2.420 -2.599) 6.905 1.097 ( -4.746 -2.059 -4.861) 7.099 1.156 ( -6.232 3.755 0.580) 7.299 1.200 ( -4.379 3.232 1.824) 5.740 1.277 ( 5.879 -1.213 -1.548) 6.199 1.350 ( 5.439 -0.900 2.416) 6.020 1.620 ( -1.338 7.834 1.337) 8.059 1.635 ( 2.285 3.277 -0.443) 4.019 1.863 ( -0.943 -0.750 -1.792) 2.159 1.883 ( -0.954 -0.744 0.929) 1.526 2.050 ( -4.257 0.454 2.669) 5.045 2.080 ( -1.592 -1.712 -1.240) 2.647 2.111 ( -2.754 1.781 1.693) 3.691 2.232 ( -4.387 -1.625 -2.307) 5.216 2.332 ( 5.858 3.157 -0.457) 6.670 2.410 ( 2.434 3.079 -0.395) 3.944 2.587 ( -1.362 -4.941 -1.626) 5.377 2.663 ( -1.550 0.361 -0.628) 1.711 2.714 ( -0.233 -1.970 -0.419) 2.028 2.791 ( 0.246 0.477 -0.409) 0.675 3.270 ( -3.094 -3.239 -0.156) 4.482 3.393 ( -1.625 -4.109 -1.276) 4.599 3.967 ( -3.290 2.315 0.201) 4.027 4.128 ( 2.036 1.545 1.397) 2.913 4.170 ( -0.914 0.951 -2.355) 2.700 4.259 ( 1.139 0.363 0.934) 1.517 4.529 ( 0.628 -0.921 1.451) 1.830 4.548 ( 2.126 0.121 -1.564) 2.643 4.829 ( -0.022 -2.560 1.204) 2.829 4.893 ( 2.142 -3.707 -0.607) 4.324 5.000 ( -0.365 0.973 0.014) 1.040 5.047 ( 0.521 0.451 0.732) 1.006 5.080 ( -0.199 0.408 -0.066) 0.459 5.093 ( 0.039 0.905 0.177) 0.923 5.132 ( -0.553 -0.170 -0.096) 0.586 5.176 ( 0.656 1.507 0.010) 1.644 5.446 ( -0.135 -0.906 -0.631) 1.112 5.471 ( 0.137 -1.050 0.446) 1.149 5.977 ( 1.383 0.826 1.437) 2.158 5.993 ( 1.803 1.734 0.968) 2.682 6.410 ( 0.422 -2.272 -1.634) 2.831 6.459 ( 1.218 -2.846 0.347) 3.115 6.850 ( -0.816 2.379 -1.524) 2.941 6.890 ( 0.003 3.472 0.026) 3.472 7.269 ( -3.049 -2.657 -1.932) 4.482 7.316 ( -1.800 -1.638 1.419) 2.817 ======================= Grid point 167 (80/108) ======================= q-point: (-0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -8.247 -1.524 9.963) 13.023 0.571 ( -5.075 6.350 7.902) 11.337 0.785 ( -5.699 -0.708 -3.065) 6.509 0.911 ( -11.011 6.386 2.172) 12.913 0.942 ( -11.733 7.742 2.126) 14.217 1.185 ( -0.350 0.036 -4.062) 4.077 1.422 ( 8.845 1.004 -1.293) 8.995 1.460 ( 3.855 -0.411 1.882) 4.310 1.647 ( 2.442 2.993 0.580) 3.906 1.688 ( 2.559 0.943 -0.163) 2.732 1.830 ( -0.866 0.189 -1.779) 1.988 1.867 ( -1.277 -0.794 -0.051) 1.505 1.991 ( -2.833 2.638 1.077) 4.018 2.028 ( -2.853 -0.387 -0.747) 2.975 2.056 ( -3.997 -0.071 0.871) 4.092 2.124 ( -4.878 -0.166 -2.300) 5.395 2.415 ( 3.839 2.235 -1.278) 4.622 2.454 ( 2.357 0.545 0.484) 2.467 2.571 ( 0.247 -3.300 -0.754) 3.394 2.617 ( -2.145 -0.650 -1.160) 2.524 2.712 ( 0.921 1.070 -1.257) 1.890 2.778 ( -0.636 3.229 -1.500) 3.616 3.229 ( -1.392 -0.812 0.393) 1.659 3.301 ( -7.111 -1.751 0.131) 7.324 3.936 ( -0.890 2.610 1.867) 3.330 4.107 ( -1.814 1.328 -3.434) 4.104 4.194 ( 2.504 1.315 1.271) 3.100 4.276 ( -0.016 0.088 0.205) 0.223 4.551 ( 0.225 -1.462 1.439) 2.063 4.573 ( 2.178 -0.699 -1.667) 2.830 4.848 ( 0.486 -2.387 1.778) 3.016 4.915 ( 1.276 -3.869 -1.412) 4.311 5.008 ( 0.734 0.337 0.655) 1.040 5.055 ( -0.562 0.172 0.542) 0.800 5.076 ( 0.150 -1.263 -0.454) 1.350 5.086 ( -0.658 0.545 0.031) 0.855 5.134 ( 0.259 1.396 0.848) 1.654 5.180 ( 0.224 2.314 -0.677) 2.421 5.446 ( 0.449 -1.222 0.036) 1.303 5.474 ( -0.155 -1.495 0.088) 1.505 6.022 ( 1.601 0.717 1.589) 2.367 6.046 ( 2.426 0.234 1.801) 3.031 6.413 ( 1.230 -2.299 -0.804) 2.728 6.471 ( 0.201 -2.976 -0.668) 3.057 6.828 ( 0.200 3.061 -1.419) 3.380 6.877 ( -0.637 4.759 -1.567) 5.051 7.206 ( -2.588 -1.518 0.879) 3.126 7.286 ( -2.554 -1.416 0.526) 2.967 ======================= Grid point 168 (81/108) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -1.380 6.945 4.689) 8.493 0.664 ( 1.861 2.509 -7.593) 8.211 0.893 ( 1.245 11.284 4.142) 12.085 0.963 ( -1.067 10.032 -2.821) 10.476 1.037 ( 0.160 5.010 6.518) 8.222 1.128 ( -0.387 -0.225 -2.978) 3.012 1.502 ( -0.422 -0.059 2.026) 2.070 1.534 ( 0.658 0.135 -1.141) 1.324 1.719 ( 1.340 1.248 0.007) 1.831 1.723 ( -1.244 1.659 -0.282) 2.093 1.820 ( -1.680 -0.540 0.231) 1.780 1.829 ( 1.890 -0.413 -0.678) 2.050 1.960 ( -1.757 -2.063 2.729) 3.846 2.002 ( 1.310 -1.015 -1.324) 2.121 2.039 ( -1.777 3.912 0.100) 4.298 2.080 ( 1.852 3.299 -4.058) 5.548 2.453 ( 0.182 -0.924 1.959) 2.173 2.499 ( -1.265 -0.596 -2.503) 2.868 2.518 ( 1.394 -0.154 1.553) 2.093 2.552 ( -0.317 -0.590 -1.800) 1.921 2.800 ( 1.217 3.330 -0.280) 3.556 2.820 ( -1.856 3.836 -2.380) 4.882 3.225 ( -2.267 0.324 3.472) 4.159 3.263 ( 2.991 0.563 -0.497) 3.084 4.026 ( 0.757 3.685 2.144) 4.330 4.080 ( -1.195 2.552 -3.465) 4.466 4.271 ( -0.422 1.016 0.605) 1.256 4.274 ( 0.738 1.343 0.333) 1.568 4.513 ( -0.678 -2.811 1.798) 3.405 4.549 ( 0.666 -2.432 -1.880) 3.145 4.804 ( -0.797 -3.845 1.497) 4.203 4.828 ( 0.589 -4.665 -1.004) 4.808 5.016 ( 0.166 -0.299 0.105) 0.358 5.020 ( -0.320 -0.721 -0.353) 0.864 5.088 ( 0.686 1.097 1.071) 1.679 5.102 ( -0.434 1.192 -0.489) 1.360 5.192 ( 0.612 1.936 1.116) 2.318 5.214 ( -0.560 1.815 -1.177) 2.235 5.417 ( 0.449 -2.517 0.263) 2.570 5.422 ( -0.377 -2.615 -0.189) 2.648 6.067 ( 0.405 0.855 1.384) 1.677 6.084 ( -0.344 1.204 -0.337) 1.297 6.378 ( 0.852 -2.772 0.018) 2.900 6.386 ( -0.896 -3.303 -0.713) 3.495 6.916 ( 0.903 3.986 0.696) 4.146 6.941 ( -1.052 4.308 -1.950) 4.844 7.183 ( 1.350 -1.997 1.665) 2.930 7.210 ( -0.988 -2.198 -1.059) 2.632 ======================= Grid point 169 (82/108) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 3.426 3.040 6.208) 7.715 0.632 ( 2.962 3.175 -7.125) 8.344 0.906 ( -0.767 5.983 -5.022) 7.849 0.937 ( 0.569 5.928 4.835) 7.670 1.154 ( 4.411 3.639 1.316) 5.868 1.164 ( 6.339 1.615 -1.091) 6.632 1.446 ( -7.105 2.096 0.904) 7.463 1.470 ( -5.423 -1.205 -1.140) 5.672 1.706 ( -0.054 2.599 -0.137) 2.603 1.745 ( 1.518 3.780 -0.012) 4.074 1.806 ( 0.381 -0.738 0.172) 0.848 1.860 ( 1.983 0.210 -0.671) 2.104 1.982 ( 1.480 -1.140 2.155) 2.851 2.038 ( 2.539 -0.251 -1.367) 2.894 2.052 ( 2.946 -0.027 1.994) 3.558 2.110 ( 4.144 2.155 -2.029) 5.093 2.433 ( -1.795 -0.155 -0.162) 1.808 2.470 ( -2.940 0.678 0.653) 3.087 2.535 ( -0.162 -1.151 -1.280) 1.729 2.565 ( 2.806 -1.434 0.614) 3.210 2.743 ( -4.381 3.009 -0.186) 5.318 2.800 ( -1.818 1.907 1.319) 2.946 3.213 ( -1.453 -0.983 1.035) 2.037 3.311 ( 3.269 -1.233 -2.375) 4.225 4.037 ( -0.171 3.397 -1.611) 3.763 4.078 ( 1.888 2.546 2.407) 3.980 4.240 ( -2.085 1.554 -0.263) 2.614 4.300 ( 1.034 1.282 -0.341) 1.682 4.515 ( -0.996 -1.660 1.769) 2.622 4.540 ( 0.310 -2.623 -1.749) 3.168 4.787 ( -2.163 -3.777 1.012) 4.469 4.828 ( 0.119 -4.345 -0.611) 4.389 5.018 ( 0.119 0.137 -0.120) 0.217 5.030 ( 1.182 -0.912 0.394) 1.544 5.088 ( -0.303 1.004 -0.788) 1.312 5.109 ( 0.690 1.233 0.356) 1.457 5.180 ( -1.526 1.243 -0.715) 2.094 5.213 ( 0.261 2.197 0.602) 2.293 5.413 ( -0.287 -2.206 -0.235) 2.237 5.431 ( 0.761 -2.491 0.143) 2.608 6.059 ( -1.733 0.834 -0.798) 2.082 6.073 ( -0.928 1.341 0.696) 1.773 6.352 ( -1.878 -2.972 -0.114) 3.517 6.394 ( 0.354 -3.044 0.231) 3.073 6.900 ( -1.281 4.281 -0.549) 4.502 6.948 ( 1.011 4.160 0.807) 4.357 7.188 ( 0.408 -2.467 -1.020) 2.700 7.241 ( 2.975 -2.827 0.412) 4.124 ======================= Grid point 170 (83/108) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 8.089 1.726 -5.720) 10.056 0.761 ( 8.315 -0.462 3.903) 9.198 0.878 ( 3.004 3.107 -4.021) 5.903 1.007 ( 2.580 1.225 3.818) 4.768 1.177 ( -2.507 -0.473 -0.301) 2.569 1.248 ( 2.489 -1.201 0.075) 2.765 1.299 ( -9.358 4.090 0.194) 10.214 1.354 ( -6.463 -1.239 -0.529) 6.602 1.725 ( 2.817 5.327 0.185) 6.029 1.799 ( 4.491 3.850 -0.283) 5.922 1.835 ( 2.846 2.228 -0.153) 3.617 1.883 ( 1.588 -0.334 -1.039) 1.927 2.029 ( 1.422 -1.500 1.170) 2.375 2.072 ( 2.127 -2.127 -1.070) 3.192 2.132 ( 3.035 -1.023 2.615) 4.135 2.167 ( 3.614 0.681 -1.193) 3.866 2.392 ( -5.879 2.696 0.598) 6.495 2.430 ( 1.453 -1.314 0.948) 2.176 2.495 ( -3.305 -0.687 -1.232) 3.593 2.616 ( 1.257 -4.899 0.906) 5.139 2.681 ( -2.072 1.107 0.333) 2.372 2.773 ( -2.716 -0.365 1.775) 3.265 3.196 ( -0.989 -4.243 0.389) 4.374 3.323 ( 1.169 -4.696 -3.477) 5.959 4.039 ( 1.435 3.725 -0.351) 4.008 4.137 ( 1.966 1.680 2.695) 3.735 4.196 ( -2.192 2.414 -0.951) 3.397 4.302 ( 0.034 1.462 -1.225) 1.908 4.513 ( -0.973 -0.298 1.562) 1.864 4.531 ( 0.454 -1.799 -1.418) 2.336 4.758 ( -2.039 -3.560 1.190) 4.272 4.818 ( -0.457 -4.249 -0.908) 4.369 5.019 ( 0.035 0.889 0.154) 0.902 5.061 ( 1.508 -0.625 0.614) 1.744 5.078 ( 0.223 0.607 -0.852) 1.069 5.118 ( 0.254 1.334 -0.123) 1.364 5.148 ( -1.353 0.819 -0.364) 1.623 5.214 ( -0.565 1.885 -0.187) 1.976 5.411 ( 0.090 -1.716 0.275) 1.741 5.445 ( 0.694 -1.967 -0.073) 2.087 6.019 ( -1.747 1.139 -0.687) 2.196 6.050 ( -1.704 2.054 -0.345) 2.691 6.327 ( -1.274 -2.943 1.118) 3.397 6.395 ( -0.378 -3.327 -0.087) 3.349 6.888 ( -0.061 3.671 0.634) 3.725 6.965 ( 0.139 3.943 0.329) 3.959 7.202 ( 1.681 -3.027 -0.191) 3.468 7.286 ( 2.024 -3.448 -0.701) 4.059 ======================= Grid point 171 (84/108) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 9.807 -1.035 -3.220) 10.374 0.899 ( -1.448 0.368 -1.240) 1.941 0.923 ( 7.974 1.865 0.204) 8.192 1.072 ( -3.281 -1.445 -1.257) 3.799 1.122 ( 1.235 2.133 2.900) 3.806 1.161 ( -3.733 2.013 1.207) 4.410 1.226 ( -3.806 -3.027 0.008) 4.863 1.254 ( -4.541 -2.813 -0.027) 5.342 1.802 ( 3.057 3.892 1.808) 5.269 1.854 ( 1.682 -0.190 0.043) 1.693 1.889 ( 2.791 3.471 -1.442) 4.682 1.919 ( 4.086 4.730 -1.498) 6.428 2.037 ( -1.731 -1.305 1.018) 2.395 2.075 ( -0.785 -1.907 -1.389) 2.487 2.179 ( 0.874 -0.324 0.866) 1.272 2.208 ( 0.530 1.236 -0.679) 1.506 2.320 ( -1.813 1.755 2.537) 3.578 2.409 ( -3.500 -0.664 -1.721) 3.957 2.501 ( 4.493 -5.360 1.424) 7.138 2.596 ( -2.786 -5.695 -0.281) 6.346 2.694 ( 1.846 -1.647 0.545) 2.533 2.737 ( -2.712 -1.531 0.862) 3.231 3.195 ( -0.575 -7.016 2.264) 7.394 3.296 ( 0.454 -6.678 -4.508) 8.070 4.072 ( 1.608 3.276 0.994) 3.782 4.146 ( -1.997 3.323 -1.559) 4.179 4.194 ( 1.648 1.254 2.408) 3.176 4.280 ( -0.783 1.776 -1.981) 2.774 4.510 ( -1.027 0.425 1.535) 1.895 4.532 ( 1.043 -0.483 -1.349) 1.772 4.745 ( -0.982 -3.907 1.839) 4.428 4.797 ( -0.458 -4.240 -1.655) 4.575 5.027 ( 0.423 1.121 0.713) 1.395 5.062 ( -0.387 1.031 -0.918) 1.433 5.103 ( 1.331 0.479 0.496) 1.499 5.119 ( 0.144 1.104 -0.267) 1.145 5.131 ( -0.304 0.279 0.639) 0.761 5.189 ( -1.288 1.053 -1.365) 2.152 5.423 ( 0.542 -1.359 0.860) 1.697 5.450 ( 0.039 -1.463 -0.415) 1.521 5.994 ( -0.479 1.760 -0.092) 1.826 6.015 ( -1.285 2.326 -0.838) 2.786 6.331 ( 0.045 -3.302 1.903) 3.811 6.381 ( -0.534 -3.423 -0.817) 3.559 6.906 ( 0.773 3.098 1.484) 3.522 6.958 ( -0.618 3.299 -0.711) 3.431 7.236 ( 1.468 -3.243 0.991) 3.695 7.295 ( 0.200 -3.646 -1.648) 4.006 ======================= Grid point 172 (85/108) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -10.659 0.394 -0.463) 10.676 0.873 ( -4.223 3.771 0.771) 5.714 0.949 ( -1.638 0.149 -1.791) 2.432 1.059 ( 4.607 -0.859 0.185) 4.690 1.147 ( -2.142 0.177 0.595) 2.230 1.183 ( 3.520 0.521 -0.862) 3.661 1.222 ( 3.317 -3.052 -0.026) 4.508 1.240 ( 4.228 -1.868 1.359) 4.818 1.834 ( -1.740 1.851 0.427) 2.576 1.841 ( -2.163 3.259 -0.294) 3.922 1.891 ( -3.998 3.014 -1.624) 5.264 1.895 ( -3.344 4.823 0.487) 5.889 2.033 ( -0.104 -1.660 1.796) 2.448 2.063 ( 1.246 -1.617 -0.617) 2.132 2.178 ( -1.919 1.644 1.055) 2.738 2.208 ( 0.900 -0.346 -0.656) 1.166 2.339 ( 0.118 -1.756 1.042) 2.045 2.400 ( 5.156 1.815 -1.181) 5.593 2.531 ( -3.331 -5.730 -1.765) 6.859 2.592 ( 4.319 -5.473 0.337) 6.980 2.698 ( -1.957 -1.089 0.068) 2.241 2.738 ( 2.524 -2.137 0.792) 3.401 3.196 ( -2.465 -7.463 3.029) 8.423 3.281 ( 2.653 -6.830 -3.991) 8.344 4.084 ( -2.464 3.727 0.366) 4.483 4.124 ( 1.795 3.183 0.150) 3.657 4.240 ( 0.734 1.061 1.297) 1.829 4.241 ( -0.661 1.866 -1.730) 2.629 4.504 ( -1.105 -0.277 1.411) 1.814 4.540 ( 1.254 0.198 -1.456) 1.932 4.755 ( -0.144 -3.865 1.979) 4.344 4.783 ( 0.966 -4.401 -1.516) 4.754 5.040 ( -0.424 1.128 0.139) 1.213 5.047 ( 0.152 1.079 -0.110) 1.095 5.108 ( -0.816 1.107 0.188) 1.388 5.114 ( -0.205 0.924 -0.073) 0.949 5.149 ( -0.592 0.408 -0.599) 0.936 5.168 ( 1.813 0.496 0.277) 1.900 5.436 ( -0.421 -1.411 0.074) 1.474 5.441 ( -0.020 -1.356 -0.037) 1.357 5.993 ( -0.143 2.270 0.043) 2.275 6.005 ( 1.210 2.266 0.021) 2.569 6.358 ( 0.889 -3.631 1.526) 4.037 6.365 ( 0.042 -3.334 -1.406) 3.619 6.934 ( -0.858 2.813 -1.189) 3.172 6.937 ( 0.934 3.081 1.366) 3.497 7.262 ( -0.589 -3.052 0.211) 3.115 7.266 ( -0.721 -3.543 -0.701) 3.683 ======================= Grid point 173 (86/108) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -8.547 5.316 2.079) 10.278 0.763 ( -6.630 7.679 3.023) 10.586 0.874 ( -4.853 -2.337 -2.908) 6.121 1.067 ( -0.696 -0.523 -2.692) 2.829 1.163 ( 1.712 -2.189 1.432) 3.126 1.242 ( -4.369 0.754 0.639) 4.479 1.307 ( 8.815 2.743 -0.574) 9.249 1.337 ( 6.395 0.132 1.042) 6.481 1.733 ( -3.710 5.804 -0.652) 6.919 1.792 ( -5.194 7.864 0.751) 9.454 1.839 ( -0.849 -1.480 -0.973) 1.964 1.863 ( -1.252 -0.893 0.884) 1.774 2.025 ( -2.526 -2.909 1.517) 4.140 2.060 ( -1.627 -0.347 0.155) 1.671 2.147 ( -3.086 1.618 1.090) 3.651 2.186 ( -1.308 -2.174 -2.894) 3.848 2.387 ( 3.702 0.882 1.151) 3.976 2.460 ( -2.055 -3.901 -2.240) 4.945 2.497 ( 5.452 2.260 -0.978) 5.983 2.629 ( -1.185 -4.683 -0.300) 4.840 2.695 ( 3.215 1.419 -1.112) 3.686 2.794 ( 3.174 -0.304 -0.086) 3.190 3.185 ( -0.970 -4.814 2.070) 5.329 3.289 ( 0.163 -5.751 -1.138) 5.865 4.038 ( -2.320 4.624 -0.058) 5.174 4.168 ( 1.872 2.408 0.990) 3.207 4.197 ( -0.777 1.774 -2.636) 3.271 4.272 ( 0.342 0.867 1.794) 2.021 4.501 ( -0.701 -1.874 1.441) 2.466 4.547 ( 1.193 -0.355 -1.658) 2.073 4.769 ( 0.612 -3.154 0.589) 3.267 4.803 ( 1.527 -4.849 0.064) 5.084 5.024 ( -0.446 1.305 -0.434) 1.445 5.057 ( -0.008 0.530 0.916) 1.059 5.078 ( -1.909 -0.501 -0.643) 2.075 5.113 ( -0.158 1.059 0.372) 1.133 5.146 ( 0.823 1.202 -0.197) 1.470 5.207 ( 1.580 1.488 0.458) 2.219 5.419 ( -0.580 -1.714 -0.543) 1.889 5.441 ( -0.500 -1.837 0.299) 1.927 6.004 ( 1.010 1.734 0.724) 2.133 6.039 ( 1.974 2.676 0.561) 3.373 6.355 ( 0.714 -2.968 -1.596) 3.445 6.388 ( 0.978 -3.839 0.659) 4.016 6.907 ( -0.497 2.973 -1.267) 3.270 6.964 ( 0.850 3.496 0.566) 3.642 7.210 ( -2.532 -2.889 -1.240) 4.037 7.268 ( -1.186 -2.827 1.104) 3.259 ======================= Grid point 174 (87/108) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -1.819 9.112 3.129) 9.805 0.707 ( -1.071 5.006 -3.010) 5.939 0.810 ( 0.180 4.718 3.154) 5.678 1.014 ( -1.862 4.427 -3.173) 5.757 1.110 ( -10.065 6.423 3.115) 12.340 1.176 ( -1.804 -0.533 0.071) 1.882 1.436 ( 5.163 -0.514 1.513) 5.405 1.465 ( 6.969 1.571 -0.453) 7.158 1.709 ( 0.143 2.263 -0.473) 2.316 1.738 ( -1.158 4.479 0.569) 4.661 1.818 ( -0.146 -1.054 -0.972) 1.441 1.847 ( -1.553 -0.806 0.621) 1.856 1.986 ( -3.265 -2.907 1.931) 4.779 2.023 ( -1.944 0.306 -0.498) 2.030 2.088 ( -3.476 2.390 -0.256) 4.226 2.125 ( -1.703 0.662 -4.026) 4.421 2.431 ( 0.551 -1.743 -0.451) 1.882 2.463 ( 2.858 0.601 1.446) 3.259 2.543 ( 0.779 0.671 -1.806) 2.079 2.582 ( -2.290 -2.408 -0.998) 3.470 2.756 ( 4.320 3.263 -1.602) 5.646 2.837 ( 2.357 2.388 -2.141) 3.980 3.205 ( 0.727 -1.607 2.299) 2.898 3.263 ( -2.741 -1.991 1.489) 3.701 4.012 ( -0.839 4.667 0.780) 4.806 4.138 ( -1.417 1.832 -3.532) 4.223 4.227 ( 2.367 1.923 1.041) 3.223 4.284 ( -0.653 0.674 1.244) 1.558 4.506 ( -0.404 -2.935 1.648) 3.390 4.551 ( 1.051 -1.497 -1.817) 2.578 4.790 ( 0.789 -3.269 0.928) 3.488 4.824 ( 0.837 -4.926 -0.368) 5.010 5.017 ( -0.218 0.608 -0.049) 0.648 5.040 ( -1.401 -1.187 -0.659) 1.951 5.067 ( 0.210 0.671 1.245) 1.430 5.112 ( -0.304 1.342 0.063) 1.378 5.166 ( 1.146 1.573 0.574) 2.029 5.225 ( 0.414 1.986 -0.482) 2.085 5.411 ( 0.019 -2.124 -0.026) 2.125 5.432 ( -0.645 -2.495 0.056) 2.578 6.037 ( 1.349 1.071 1.419) 2.231 6.075 ( 1.296 2.207 0.371) 2.586 6.361 ( 1.273 -2.675 -0.946) 3.110 6.400 ( 0.067 -3.707 -0.258) 3.717 6.899 ( 0.557 3.488 -0.452) 3.562 6.970 ( -0.001 4.047 -1.277) 4.244 7.169 ( -1.397 -2.040 0.745) 2.582 7.244 ( -1.984 -2.448 0.086) 3.152 ======================= Grid point 175 (88/108) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -0.609 8.793 -1.131) 8.886 0.735 ( 1.092 4.332 -3.700) 5.801 1.074 ( -2.130 2.294 2.488) 3.999 1.110 ( 2.747 2.091 -0.142) 3.455 1.134 ( -3.021 4.434 1.385) 5.541 1.151 ( 2.398 7.843 -1.169) 8.285 1.480 ( 0.548 -2.148 2.339) 3.223 1.513 ( -0.882 -2.542 -1.106) 2.909 1.737 ( 1.492 0.878 0.764) 1.892 1.759 ( -1.668 1.590 -1.313) 2.652 1.828 ( 0.906 1.031 0.329) 1.411 1.834 ( -0.258 2.094 -0.207) 2.120 1.937 ( -0.936 0.227 3.603) 3.729 1.998 ( 0.687 0.739 -2.382) 2.587 2.124 ( -0.759 3.586 0.451) 3.693 2.147 ( 0.982 2.800 -1.779) 3.460 2.434 ( 1.058 -0.537 1.777) 2.136 2.466 ( -1.617 -1.205 -1.216) 2.355 2.526 ( 0.592 -0.374 1.536) 1.688 2.557 ( -0.125 0.473 -1.501) 1.579 2.866 ( -0.323 3.342 -0.053) 3.358 2.896 ( -0.408 3.936 -3.017) 4.976 3.214 ( -1.671 -1.622 3.412) 4.131 3.254 ( 2.593 -1.586 -0.785) 3.139 4.118 ( 0.418 5.237 0.475) 5.275 4.143 ( -0.924 3.606 -2.123) 4.285 4.295 ( -1.222 1.517 1.059) 2.217 4.306 ( 1.566 1.779 0.043) 2.371 4.448 ( -0.134 -3.458 2.184) 4.092 4.491 ( 0.189 -3.155 -2.258) 3.885 4.712 ( -0.692 -5.225 0.699) 5.317 4.723 ( 0.512 -5.664 -0.399) 5.701 5.018 ( 0.215 0.612 0.274) 0.704 5.026 ( -0.299 1.199 -0.490) 1.329 5.108 ( 0.735 0.618 1.140) 1.491 5.124 ( -0.464 0.834 -0.566) 1.110 5.227 ( 0.863 1.536 0.877) 1.968 5.245 ( -0.911 1.248 -0.978) 1.828 5.361 ( 0.204 -2.815 0.394) 2.849 5.368 ( -0.122 -2.520 -0.321) 2.543 6.095 ( 0.622 1.762 1.233) 2.238 6.118 ( -0.791 1.880 -1.093) 2.314 6.321 ( -0.790 -2.952 0.040) 3.056 6.325 ( 0.830 -2.540 -0.315) 2.691 6.987 ( 1.098 2.875 1.238) 3.318 7.015 ( -1.177 2.909 -1.652) 3.546 7.141 ( 1.125 -2.076 1.217) 2.656 7.163 ( -1.020 -2.210 -1.092) 2.667 ======================= Grid point 176 (89/108) ======================= q-point: ( 0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 1.106 6.969 1.249) 7.166 0.736 ( 2.054 6.166 -2.083) 6.825 1.018 ( -3.986 2.973 -0.439) 4.992 1.047 ( -3.721 5.836 1.240) 7.032 1.162 ( 2.064 -0.958 -0.492) 2.328 1.219 ( 1.740 2.908 -0.157) 3.392 1.450 ( -4.100 -0.964 -0.903) 4.307 1.470 ( -4.018 -0.026 1.220) 4.199 1.738 ( 1.043 -0.348 -0.608) 1.256 1.804 ( 3.909 1.435 0.707) 4.223 1.819 ( 0.360 2.690 -0.616) 2.783 1.875 ( 3.094 2.050 -0.368) 3.730 1.964 ( 0.326 -1.493 3.348) 3.681 2.000 ( 2.064 0.664 -2.962) 3.671 2.115 ( -0.410 2.960 0.891) 3.118 2.158 ( 1.493 2.214 -0.986) 2.847 2.416 ( -2.069 -0.379 -1.305) 2.476 2.474 ( 0.545 -1.523 2.933) 3.349 2.501 ( -2.644 -0.428 -1.394) 3.019 2.563 ( 0.416 -0.294 -0.268) 0.576 2.808 ( -5.825 3.416 0.655) 6.785 2.843 ( -4.189 2.641 0.646) 4.994 3.177 ( -4.507 -2.707 1.143) 5.380 3.262 ( -0.189 -3.683 -2.732) 4.589 4.118 ( -0.066 4.616 -0.470) 4.641 4.146 ( 1.356 4.121 1.394) 4.556 4.280 ( -1.137 2.391 0.173) 2.653 4.328 ( 1.267 1.530 -0.827) 2.152 4.470 ( 0.413 -2.912 1.749) 3.422 4.479 ( 0.810 -3.014 -1.860) 3.634 4.702 ( -1.209 -4.702 0.709) 4.906 4.725 ( 0.140 -5.700 -0.363) 5.714 5.025 ( 0.621 0.676 -0.213) 0.942 5.033 ( 0.965 1.143 0.386) 1.545 5.106 ( -0.479 0.718 -0.893) 1.241 5.129 ( 0.553 0.508 0.400) 0.851 5.203 ( -2.045 1.038 -0.471) 2.342 5.254 ( 0.447 1.777 0.522) 1.905 5.363 ( 0.052 -2.633 -0.283) 2.649 5.378 ( 1.206 -2.463 0.182) 2.748 6.084 ( -1.738 1.585 -0.908) 2.522 6.109 ( -0.415 2.074 1.194) 2.429 6.293 ( -1.973 -2.737 0.178) 3.379 6.334 ( 0.191 -2.852 -0.219) 2.866 6.976 ( -1.250 3.086 -0.977) 3.470 7.021 ( 1.000 2.961 1.060) 3.300 7.137 ( -0.278 -2.407 -0.788) 2.548 7.184 ( 2.034 -2.597 0.660) 3.364 ======================= Grid point 177 (90/108) ======================= q-point: ( 0.29 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 2.981 5.810 -0.471) 6.547 0.785 ( 5.248 3.804 1.704) 6.702 0.966 ( 0.911 4.134 -2.128) 4.738 1.030 ( -1.159 2.372 2.037) 3.335 1.151 ( -1.874 -2.642 -1.296) 3.489 1.218 ( -1.915 -0.609 1.184) 2.332 1.354 ( -5.375 1.157 -1.151) 5.617 1.382 ( -6.614 3.404 0.516) 7.456 1.765 ( 1.764 -1.822 0.254) 2.549 1.823 ( 1.223 0.529 -0.723) 1.516 1.891 ( 4.783 1.487 -0.123) 5.010 1.920 ( 2.352 3.210 -0.288) 3.990 2.004 ( 2.035 -3.673 -2.074) 4.683 2.016 ( 1.546 0.600 2.012) 2.607 2.132 ( 1.113 0.346 0.934) 1.494 2.186 ( 2.670 0.966 -0.542) 2.890 2.368 ( -2.181 -1.873 -0.798) 2.983 2.428 ( -3.622 -0.383 -2.124) 4.216 2.496 ( -1.753 -2.220 3.142) 4.228 2.537 ( -2.712 -1.305 -1.095) 3.202 2.714 ( -5.084 2.313 1.335) 5.742 2.766 ( -5.149 0.222 1.692) 5.425 3.097 ( -4.718 -5.246 0.681) 7.089 3.206 ( -1.996 -6.669 -3.965) 8.011 4.127 ( 0.712 4.934 0.900) 5.066 4.188 ( 1.402 3.273 2.177) 4.173 4.259 ( -0.941 3.597 -0.874) 3.819 4.333 ( 0.674 1.719 -1.718) 2.522 4.482 ( 1.893 -2.730 -1.705) 3.734 4.499 ( 0.502 -1.295 1.655) 2.160 4.683 ( -1.684 -3.984 0.926) 4.423 4.718 ( -0.461 -5.531 -0.668) 5.591 5.038 ( 0.567 0.788 0.252) 1.003 5.060 ( 1.763 0.981 0.644) 2.118 5.093 ( 0.095 0.711 -1.121) 1.331 5.136 ( 0.144 0.265 -0.122) 0.325 5.166 ( -1.750 0.953 0.010) 1.993 5.252 ( -0.871 1.804 -0.542) 2.075 5.366 ( 0.438 -2.608 0.344) 2.666 5.403 ( 1.292 -1.980 0.035) 2.364 6.048 ( -1.488 1.780 -0.270) 2.335 6.099 ( -1.456 2.679 0.294) 3.063 6.266 ( -1.528 -3.029 1.042) 3.550 6.328 ( -0.451 -3.159 -0.516) 3.232 6.957 ( -0.244 2.955 -0.034) 2.965 7.035 ( -0.137 2.839 -0.081) 2.844 7.141 ( 1.037 -2.741 0.326) 2.949 7.218 ( 1.268 -3.047 -0.078) 3.302 ======================= Grid point 178 (91/108) ======================= q-point: ( 0.43 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 4.732 3.649 -0.303) 5.984 0.899 ( 3.815 0.261 -0.172) 3.828 0.992 ( -1.321 4.335 0.523) 4.562 1.011 ( 1.521 -2.679 0.521) 3.125 1.143 ( 2.967 -0.424 -0.418) 3.026 1.180 ( -3.322 -0.560 1.299) 3.611 1.250 ( -6.304 3.448 0.446) 7.199 1.266 ( -4.140 4.952 -1.398) 6.604 1.795 ( 0.995 -2.258 0.635) 2.547 1.833 ( 0.459 -1.997 -1.109) 2.330 1.955 ( 0.581 -2.507 2.058) 3.296 1.968 ( 3.994 1.963 -0.610) 4.492 2.009 ( 0.496 -1.277 -0.872) 1.624 2.055 ( 0.650 0.825 -0.276) 1.086 2.168 ( 2.476 -0.636 0.196) 2.564 2.220 ( 0.044 -0.284 -0.578) 0.645 2.329 ( -1.850 -4.450 0.182) 4.823 2.357 ( -1.117 0.261 -1.669) 2.026 2.465 ( -2.354 -0.055 1.004) 2.560 2.479 ( -2.476 -4.134 0.214) 4.824 2.669 ( -0.991 -0.476 0.874) 1.404 2.705 ( -2.677 -1.172 0.271) 2.934 3.045 ( -2.761 -7.226 2.711) 8.197 3.141 ( -0.149 -8.201 -4.740) 9.474 4.155 ( 0.722 4.836 1.972) 5.273 4.230 ( -0.962 4.581 -1.503) 4.917 4.232 ( 1.048 2.548 2.310) 3.595 4.319 ( -0.056 2.195 -2.490) 3.319 4.509 ( 1.974 -1.269 -0.823) 2.486 4.513 ( -0.174 -0.785 0.747) 1.098 4.665 ( -1.306 -3.960 1.358) 4.385 4.699 ( -0.464 -5.248 -1.161) 5.394 5.050 ( 0.332 1.029 0.755) 1.319 5.083 ( -0.155 0.930 -1.099) 1.449 5.107 ( 2.373 0.451 0.920) 2.585 5.135 ( -0.071 0.324 -0.265) 0.424 5.145 ( -0.782 0.966 0.783) 1.469 5.215 ( -1.788 1.416 -1.904) 2.971 5.386 ( 0.849 -2.202 0.977) 2.554 5.416 ( 0.168 -1.843 -0.369) 1.887 6.034 ( -0.041 2.188 0.447) 2.234 6.069 ( -1.528 2.793 -0.597) 3.239 6.264 ( -0.215 -3.169 1.767) 3.635 6.312 ( -0.418 -3.305 -1.068) 3.498 6.966 ( 0.723 2.699 0.896) 2.934 7.018 ( -0.931 2.460 -1.135) 2.865 7.172 ( 1.276 -2.834 1.271) 3.358 7.223 ( -0.155 -3.205 -0.926) 3.340 ======================= Grid point 179 (92/108) ======================= q-point: (-0.43 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -5.306 5.926 -0.901) 8.005 0.890 ( 0.090 -0.451 0.336) 0.570 1.005 ( -1.699 1.100 -0.381) 2.060 1.032 ( 1.505 0.933 -1.838) 2.552 1.124 ( -3.274 -1.416 1.543) 3.886 1.179 ( 0.820 0.861 1.425) 1.856 1.242 ( 5.294 2.309 0.566) 5.804 1.268 ( 5.416 4.497 -1.040) 7.116 1.812 ( 0.124 -2.218 0.725) 2.337 1.819 ( -0.359 -2.424 -1.571) 2.911 1.954 ( -3.260 -3.164 1.036) 4.660 1.982 ( -1.393 -1.852 0.900) 2.486 1.997 ( -3.784 3.459 -0.625) 5.165 2.052 ( 1.361 1.207 -0.536) 1.896 2.178 ( -1.869 -1.242 -0.815) 2.387 2.209 ( -0.057 -0.147 0.507) 0.531 2.300 ( -0.646 -1.733 2.073) 2.779 2.368 ( 2.347 -4.314 -2.191) 5.377 2.461 ( 1.594 -2.668 0.769) 3.201 2.501 ( 4.496 -1.673 -1.053) 4.911 2.682 ( 1.127 -0.322 0.102) 1.177 2.699 ( 2.873 -1.017 0.389) 3.073 3.042 ( -1.131 -7.278 3.790) 8.283 3.130 ( 3.622 -7.589 -4.354) 9.469 4.180 ( -0.811 5.404 1.349) 5.629 4.203 ( 0.454 4.482 -0.935) 4.601 4.267 ( 0.039 1.713 2.422) 2.967 4.288 ( -0.449 2.684 -2.687) 3.824 4.491 ( -2.460 -1.136 0.776) 2.819 4.534 ( 1.163 -0.868 -1.163) 1.860 4.671 ( 0.324 -4.476 1.712) 4.803 4.690 ( 0.734 -4.653 -1.144) 4.847 5.060 ( -0.329 0.864 0.647) 1.128 5.068 ( -0.258 0.893 -0.532) 1.071 5.122 ( -1.334 0.200 -0.472) 1.429 5.129 ( -0.273 0.741 0.226) 0.822 5.165 ( 0.010 1.158 -0.353) 1.210 5.184 ( 2.161 1.144 0.257) 2.459 5.400 ( -0.784 -2.043 -0.121) 2.191 5.407 ( -0.030 -1.926 0.173) 1.934 6.044 ( -0.371 2.637 -0.544) 2.718 6.056 ( 1.617 2.576 0.707) 3.122 6.286 ( 0.693 -3.318 1.562) 3.732 6.297 ( 0.241 -3.200 -1.510) 3.546 6.987 ( -0.976 2.353 -1.095) 2.772 6.995 ( 1.133 2.521 1.056) 2.959 7.197 ( -1.331 -2.992 -1.182) 3.482 7.202 ( 0.451 -2.828 1.152) 3.087 ======================= Grid point 180 (93/108) ======================= q-point: (-0.29 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -1.100 10.730 -1.168) 10.850 0.838 ( -3.109 -0.489 -2.808) 4.218 0.925 ( -3.372 7.267 1.340) 8.123 1.075 ( 1.309 1.364 -2.239) 2.930 1.113 ( 1.578 -2.367 2.557) 3.825 1.229 ( 1.580 -1.414 0.197) 2.129 1.332 ( 4.548 0.802 0.852) 4.696 1.387 ( 6.884 3.253 0.018) 7.614 1.787 ( -1.276 -2.278 -1.855) 3.203 1.811 ( -1.249 -0.392 0.496) 1.400 1.878 ( -4.256 2.477 0.689) 4.973 1.925 ( -3.771 3.445 -0.258) 5.114 1.956 ( -3.016 -2.686 2.413) 4.704 2.049 ( -0.743 -0.233 -0.906) 1.195 2.152 ( -0.403 -1.070 -1.388) 1.798 2.176 ( -2.500 1.098 0.573) 2.790 2.355 ( 2.907 -2.783 1.338) 4.241 2.392 ( 2.338 -1.935 0.257) 3.045 2.517 ( 2.242 -3.218 1.018) 4.053 2.549 ( 2.085 -1.613 -1.910) 3.255 2.746 ( 6.460 3.636 -1.939) 7.662 2.785 ( 6.077 -0.227 0.108) 6.082 3.082 ( 2.085 -5.076 3.140) 6.323 3.170 ( 3.597 -5.710 -1.698) 6.959 4.150 ( -1.421 6.137 -1.145) 6.402 4.228 ( 0.465 3.491 0.135) 3.524 4.243 ( -0.370 2.543 -1.357) 2.906 4.293 ( -0.284 1.451 2.195) 2.647 4.455 ( -2.238 -2.455 1.084) 3.494 4.529 ( -0.089 -1.463 -1.470) 2.076 4.698 ( 0.765 -5.130 1.283) 5.343 4.700 ( 1.164 -4.160 -0.678) 4.373 5.044 ( -1.009 0.429 -0.372) 1.158 5.070 ( -0.507 0.849 0.880) 1.323 5.079 ( -1.592 0.843 -0.979) 2.050 5.131 ( 0.033 0.593 0.402) 0.717 5.171 ( 1.257 1.154 -0.469) 1.770 5.236 ( 1.964 1.338 0.966) 2.565 5.376 ( -0.996 -2.412 -0.607) 2.679 5.401 ( -1.060 -1.957 0.237) 2.239 6.046 ( 0.848 2.323 -0.045) 2.473 6.097 ( 2.095 2.899 0.459) 3.607 6.291 ( 0.977 -3.309 -1.494) 3.760 6.314 ( 0.873 -3.167 0.913) 3.410 6.963 ( -0.447 2.462 -0.694) 2.597 7.026 ( 1.095 2.496 0.783) 2.836 7.156 ( -1.808 -2.412 -1.086) 3.204 7.211 ( -0.602 -2.651 0.699) 2.807 ======================= Grid point 181 (94/108) ======================= q-point: (-0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.763 10.326 -2.417) 10.633 0.768 ( -0.597 2.528 -4.444) 5.148 0.969 ( 4.941 8.513 3.759) 10.536 1.077 ( 1.399 1.325 -0.761) 2.072 1.154 ( 0.063 0.646 0.216) 0.684 1.209 ( -3.712 1.984 0.657) 4.261 1.418 ( 3.539 -1.008 1.931) 4.155 1.488 ( 4.355 0.038 -0.372) 4.371 1.741 ( -1.786 -0.221 -1.013) 2.065 1.798 ( -0.640 1.815 0.894) 2.122 1.824 ( -2.334 1.130 -0.689) 2.683 1.866 ( -2.826 2.720 0.449) 3.948 1.933 ( -2.272 -1.012 3.232) 4.078 2.020 ( -0.740 0.054 -1.877) 2.018 2.132 ( -0.544 1.306 -0.515) 1.506 2.154 ( -0.164 2.060 -0.788) 2.212 2.399 ( 1.755 -0.803 0.371) 1.965 2.454 ( 2.229 -1.345 2.454) 3.578 2.525 ( -0.811 -2.152 -1.075) 2.539 2.564 ( 0.859 -0.089 -0.605) 1.055 2.832 ( 4.950 3.813 -2.205) 6.626 2.883 ( 5.106 2.517 -2.573) 6.247 3.163 ( 3.088 -2.524 3.194) 5.110 3.214 ( 1.817 -2.873 0.807) 3.494 4.121 ( -0.693 5.909 -0.699) 5.991 4.187 ( -1.355 3.008 -2.729) 4.281 4.273 ( 1.598 2.515 0.933) 3.123 4.302 ( -0.910 1.187 1.795) 2.337 4.439 ( -1.042 -3.394 1.752) 3.959 4.511 ( -0.144 -2.465 -1.928) 3.133 4.712 ( 0.199 -4.541 0.400) 4.563 4.715 ( 0.589 -5.687 -0.034) 5.717 5.023 ( -0.888 0.096 -0.058) 0.895 5.043 ( -1.063 1.481 -0.640) 1.932 5.084 ( 0.456 0.753 1.216) 1.501 5.133 ( -0.148 0.625 0.025) 0.643 5.196 ( 1.657 1.315 0.192) 2.124 5.261 ( 0.271 1.545 -0.112) 1.572 5.360 ( -0.429 -2.827 0.011) 2.860 5.380 ( -1.088 -2.275 -0.086) 2.523 6.068 ( 1.205 1.963 0.696) 2.406 6.125 ( 0.866 2.604 -0.482) 2.786 6.303 ( 1.536 -3.054 -0.832) 3.518 6.329 ( 0.109 -3.007 0.307) 3.024 6.963 ( 0.566 2.678 0.339) 2.758 7.039 ( 0.078 2.756 -0.699) 2.844 7.126 ( -0.671 -2.085 0.237) 2.204 7.194 ( -1.395 -2.338 -0.285) 2.738 ======================= Grid point 182 (95/108) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.112 4.674 0.597) 4.713 0.868 ( -0.200 6.140 -3.088) 6.876 1.051 ( -1.908 -1.763 2.402) 3.538 1.110 ( 1.662 -1.441 -3.528) 4.157 1.252 ( -1.884 4.442 1.883) 5.179 1.280 ( 2.589 4.581 -0.890) 5.336 1.420 ( 0.558 -3.256 1.756) 3.741 1.443 ( -0.896 -3.514 -0.622) 3.679 1.761 ( 0.103 1.407 1.135) 1.811 1.785 ( -0.212 0.865 -1.212) 1.504 1.864 ( 0.144 1.534 1.058) 1.869 1.868 ( -0.031 0.693 0.500) 0.855 1.990 ( -0.847 4.738 2.406) 5.381 2.040 ( 1.120 3.747 -2.364) 4.570 2.155 ( 0.346 -0.791 1.410) 1.653 2.180 ( 0.006 -0.084 -1.162) 1.165 2.437 ( 0.730 0.809 1.914) 2.202 2.464 ( -0.429 0.894 -0.667) 1.195 2.505 ( -0.283 -1.287 2.726) 3.028 2.552 ( 0.145 -1.166 -1.835) 2.179 2.945 ( -0.851 4.557 0.834) 4.711 2.986 ( 0.301 4.892 -3.182) 5.843 3.156 ( -1.413 -3.943 2.602) 4.931 3.197 ( 1.778 -3.927 -1.587) 4.593 4.218 ( -0.663 3.994 0.433) 4.071 4.236 ( 0.146 5.643 -1.439) 5.825 4.331 ( -0.250 1.225 1.626) 2.051 4.351 ( 0.875 2.747 -0.493) 2.925 4.384 ( -0.423 -1.978 1.619) 2.591 4.425 ( 0.218 -3.111 -2.390) 3.929 4.595 ( -0.064 -5.941 0.396) 5.955 4.602 ( -0.071 -6.039 -0.253) 6.044 5.042 ( 0.326 1.643 0.956) 1.928 5.061 ( -0.383 2.099 -0.938) 2.331 5.107 ( 0.296 -0.744 1.393) 1.607 5.130 ( -0.106 -0.427 -1.000) 1.092 5.254 ( 1.205 1.132 0.552) 1.743 5.266 ( -1.368 0.796 -0.628) 1.702 5.312 ( 0.745 -1.825 0.651) 2.076 5.323 ( -0.502 -1.794 -0.545) 1.941 6.135 ( 0.627 2.022 0.781) 2.257 6.155 ( -1.022 1.634 -1.344) 2.350 6.267 ( 0.200 -2.247 0.556) 2.323 6.277 ( 0.006 -2.136 -0.472) 2.187 7.034 ( 1.155 1.858 1.367) 2.580 7.061 ( -1.259 1.730 -1.418) 2.567 7.102 ( 1.208 -1.691 1.040) 2.324 7.124 ( -1.137 -1.651 -1.198) 2.335 ======================= Grid point 183 (96/108) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -0.152 4.972 0.550) 5.005 0.858 ( 1.410 5.308 -0.314) 5.501 1.026 ( -3.454 -0.933 2.658) 4.457 1.100 ( 0.658 -1.209 -2.377) 2.747 1.214 ( -3.346 5.619 0.456) 6.556 1.280 ( -1.090 3.486 -1.405) 3.913 1.421 ( -0.974 -1.898 -1.053) 2.379 1.435 ( -0.820 -3.451 1.488) 3.847 1.740 ( -1.255 1.088 -0.141) 1.667 1.813 ( 2.000 -0.508 0.240) 2.078 1.845 ( -1.017 0.543 -0.175) 1.166 1.905 ( 1.649 -1.385 0.179) 2.161 1.987 ( -0.065 5.108 0.604) 5.144 2.059 ( 2.036 4.196 -1.598) 4.930 2.145 ( -1.258 -0.299 0.015) 1.293 2.184 ( 0.710 -0.024 -0.355) 0.794 2.425 ( -2.273 1.149 -1.388) 2.901 2.449 ( -1.333 -0.271 0.645) 1.505 2.494 ( -2.792 -0.651 0.935) 3.016 2.533 ( -0.741 -2.326 -0.622) 2.519 2.890 ( -6.632 4.695 2.195) 8.417 2.916 ( -5.343 4.612 -1.146) 7.151 3.103 ( -6.463 -4.425 1.804) 8.038 3.163 ( -3.322 -5.791 -2.408) 7.097 4.220 ( 0.073 5.040 1.106) 5.160 4.241 ( 0.980 4.880 -0.101) 4.979 4.337 ( -0.034 3.107 0.014) 3.107 4.365 ( 1.553 1.783 -1.148) 2.629 4.405 ( 0.715 -3.015 1.525) 3.454 4.420 ( 1.575 -2.494 -1.249) 3.203 4.597 ( -0.233 -5.568 0.111) 5.574 4.601 ( 0.086 -6.086 0.162) 6.089 5.050 ( 0.281 1.691 -0.626) 1.825 5.066 ( 1.088 1.899 0.753) 2.314 5.113 ( -0.308 -0.170 -0.895) 0.962 5.124 ( 0.176 -0.962 0.549) 1.122 5.225 ( -2.014 1.246 -0.386) 2.399 5.285 ( 0.936 0.990 0.713) 1.537 5.309 ( -0.407 -2.323 -0.809) 2.494 5.337 ( 1.532 -1.510 0.330) 2.177 6.121 ( -1.635 1.974 -0.637) 2.641 6.151 ( 0.021 1.786 1.332) 2.228 6.243 ( -2.147 -1.996 -0.209) 2.939 6.279 ( -0.180 -2.562 -0.134) 2.572 7.026 ( -1.087 1.929 -1.108) 2.476 7.070 ( 1.146 1.870 1.237) 2.518 7.093 ( -0.743 -1.805 -0.938) 2.166 7.138 ( 1.514 -1.911 0.866) 2.587 ======================= Grid point 184 (97/108) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.473 3.740 1.473) 4.048 0.891 ( 1.514 3.445 0.998) 3.893 0.988 ( -3.075 0.016 2.436) 3.924 1.091 ( 0.482 -2.528 -2.654) 3.696 1.165 ( -1.402 8.602 0.375) 8.724 1.240 ( -1.625 3.272 -1.028) 3.795 1.374 ( -3.156 0.036 -1.002) 3.311 1.417 ( -2.469 -0.686 0.753) 2.670 1.730 ( 0.214 -0.826 0.010) 0.853 1.813 ( -1.004 -0.357 -1.372) 1.737 1.849 ( 0.734 -4.278 0.561) 4.377 1.911 ( -0.237 -4.308 -1.495) 4.566 2.018 ( 2.901 4.531 -0.301) 5.388 2.065 ( 0.189 2.836 -0.432) 2.875 2.138 ( -0.050 0.277 0.419) 0.505 2.194 ( 1.188 -0.404 -0.678) 1.426 2.359 ( -3.938 0.673 -1.517) 4.273 2.394 ( -2.653 -1.433 -2.235) 3.753 2.459 ( -2.601 -1.394 1.272) 3.213 2.498 ( -2.392 -2.975 -0.990) 3.944 2.780 ( -7.411 4.114 2.373) 8.802 2.799 ( -6.901 2.990 0.416) 7.533 2.991 ( -7.159 -4.979 1.838) 8.911 3.060 ( -4.948 -7.387 -2.356) 9.198 4.239 ( 0.487 5.813 1.639) 6.059 4.263 ( 0.841 3.769 1.410) 4.111 4.329 ( 0.087 2.838 -1.469) 3.197 4.382 ( 1.385 3.262 -1.301) 3.776 4.428 ( 2.131 -2.175 -0.792) 3.146 4.459 ( 2.080 -2.500 1.072) 3.424 4.588 ( -0.813 -5.561 0.014) 5.621 4.601 ( -0.471 -5.390 0.387) 5.424 5.056 ( 0.794 1.139 -0.338) 1.429 5.092 ( 0.807 1.422 0.487) 1.706 5.102 ( 0.574 0.204 -0.951) 1.129 5.131 ( 0.079 -0.501 0.463) 0.687 5.190 ( -1.663 1.556 0.015) 2.278 5.282 ( -1.083 0.215 -1.387) 1.773 5.313 ( 0.858 -1.624 1.033) 2.107 5.366 ( 1.267 -1.735 0.012) 2.148 6.091 ( -1.356 2.392 0.129) 2.753 6.155 ( -1.056 2.679 0.632) 2.948 6.204 ( -1.710 -2.935 0.530) 3.438 6.267 ( -0.780 -2.833 -0.333) 2.957 7.007 ( -0.172 2.050 -0.325) 2.083 7.073 ( -0.390 -0.042 -0.818) 0.907 7.102 ( 0.867 -0.117 1.085) 1.394 7.165 ( 0.773 -2.161 0.246) 2.308 ======================= Grid point 185 (98/108) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -0.001 1.170 2.979) 3.201 0.920 ( 0.846 0.495 0.038) 0.981 0.977 ( -0.104 0.081 1.916) 1.921 1.054 ( -0.783 0.017 -3.001) 3.102 1.192 ( 2.775 5.874 0.061) 6.497 1.213 ( -0.864 4.551 -0.190) 4.636 1.314 ( -2.300 2.619 0.411) 3.510 1.364 ( -3.074 3.304 -0.629) 4.557 1.742 ( 0.705 -2.532 0.409) 2.660 1.784 ( -0.485 -2.425 -1.636) 2.965 1.854 ( -1.734 -6.168 1.553) 6.592 1.885 ( 0.746 -6.407 -3.161) 7.183 2.057 ( 0.947 2.573 0.467) 2.781 2.073 ( 0.761 1.224 -0.120) 1.446 2.147 ( 1.193 -1.385 0.018) 1.828 2.194 ( -1.098 -2.018 -1.279) 2.630 2.288 ( -1.747 0.644 -0.208) 1.873 2.339 ( -1.086 -0.810 -2.732) 3.050 2.426 ( -2.260 -1.894 1.438) 3.281 2.449 ( -0.844 -2.120 -1.574) 2.772 2.693 ( -4.126 2.719 1.943) 5.310 2.711 ( -2.297 1.928 -0.399) 3.025 2.915 ( -3.756 -5.273 3.193) 7.218 2.977 ( -1.127 -7.510 -2.550) 8.011 4.260 ( -0.021 4.858 1.837) 5.194 4.294 ( 0.369 3.479 2.348) 4.213 4.317 ( 0.407 3.694 -1.599) 4.046 4.380 ( 0.259 4.090 -2.231) 4.666 4.469 ( 2.795 -2.215 -0.505) 3.602 4.490 ( 0.066 -1.555 0.407) 1.609 4.575 ( -0.318 -5.208 0.292) 5.226 4.590 ( -1.104 -5.081 0.241) 5.206 5.068 ( 0.457 0.790 0.317) 0.966 5.092 ( 0.072 -0.066 -0.983) 0.988 5.124 ( 1.167 0.802 0.400) 1.471 5.135 ( -0.014 -0.100 0.132) 0.166 5.174 ( -0.246 2.044 0.988) 2.284 5.240 ( -1.606 0.723 -1.941) 2.621 5.341 ( 1.038 -1.756 1.128) 2.331 5.376 ( -0.002 -2.047 -0.444) 2.094 6.082 ( 0.011 2.444 0.749) 2.557 6.123 ( -1.712 2.323 -0.746) 2.980 6.205 ( 0.111 -2.430 1.686) 2.960 6.249 ( -0.555 -2.842 -0.777) 2.998 7.014 ( 0.706 1.997 0.526) 2.183 7.055 ( -0.758 0.939 -1.009) 1.573 7.127 ( 0.878 -1.240 1.147) 1.904 7.167 ( -0.334 -2.275 -0.533) 2.360 ======================= Grid point 186 (99/108) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -2.094 0.325 1.811) 2.787 0.928 ( 0.217 1.234 0.787) 1.480 1.004 ( 1.739 0.087 -0.986) 2.001 1.043 ( 2.375 -0.033 -2.209) 3.244 1.193 ( -1.113 6.099 -0.175) 6.202 1.209 ( -0.955 3.685 -0.051) 3.807 1.304 ( 0.000 3.077 1.538) 3.440 1.363 ( 4.058 3.693 -0.600) 5.520 1.759 ( 0.549 -2.728 0.557) 2.838 1.764 ( 0.007 -2.502 -1.587) 2.963 1.829 ( -2.120 -6.863 2.334) 7.553 1.889 ( 1.598 -6.709 -1.789) 7.125 2.054 ( -1.872 2.385 0.326) 3.049 2.083 ( 0.936 1.253 -0.676) 1.704 2.151 ( -1.142 -1.306 -0.523) 1.812 2.179 ( 1.285 -2.301 -0.033) 2.636 2.287 ( 0.247 0.264 1.323) 1.372 2.312 ( 0.953 -0.550 -1.447) 1.818 2.415 ( 0.227 -1.709 1.361) 2.196 2.457 ( 2.513 -3.170 -1.366) 4.270 2.693 ( 2.609 1.779 1.531) 3.509 2.724 ( 4.544 2.768 -1.279) 5.472 2.913 ( 0.251 -5.047 3.144) 5.951 2.985 ( 4.584 -6.385 -2.928) 8.388 4.274 ( -0.486 3.197 2.075) 3.842 4.295 ( -0.181 3.292 -1.351) 3.563 4.331 ( -0.218 5.475 2.078) 5.860 4.354 ( -0.347 3.948 -2.563) 4.720 4.462 ( -2.756 -1.292 0.143) 3.047 4.502 ( 0.885 -2.219 -0.758) 2.506 4.573 ( -0.350 -4.968 0.542) 5.010 4.591 ( 1.089 -5.184 0.096) 5.297 5.074 ( -0.610 0.437 0.346) 0.826 5.080 ( -0.342 0.237 -0.358) 0.549 5.127 ( -0.871 0.368 0.081) 0.949 5.138 ( 0.228 0.138 -0.116) 0.291 5.196 ( -0.221 1.730 -0.341) 1.777 5.211 ( 1.699 1.330 0.171) 2.165 5.357 ( -0.951 -1.968 -0.297) 2.206 5.365 ( 0.192 -2.006 0.329) 2.042 6.097 ( -0.359 2.393 -0.742) 2.531 6.106 ( 1.696 2.247 1.019) 2.994 6.226 ( 0.336 -2.421 0.848) 2.587 6.237 ( 0.616 -2.582 -0.870) 2.793 7.028 ( -0.953 1.698 -0.965) 2.173 7.037 ( 1.007 1.568 0.791) 2.024 7.147 ( -1.024 -1.905 -0.764) 2.294 7.152 ( 0.557 -1.945 0.949) 2.235 ======================= Grid point 187 (100/108) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -1.628 2.316 0.011) 2.831 0.941 ( 0.787 3.554 -1.645) 3.995 1.019 ( 1.638 1.719 -1.059) 2.600 1.065 ( 1.302 -0.956 -0.383) 1.660 1.178 ( 1.149 7.925 -0.853) 8.053 1.217 ( 1.284 1.673 0.932) 2.306 1.347 ( 2.170 -0.035 1.638) 2.719 1.426 ( 2.709 -0.296 -0.150) 2.730 1.745 ( -0.202 -1.324 -1.381) 1.924 1.782 ( 1.068 -1.583 1.457) 2.402 1.831 ( -0.814 -3.847 2.058) 4.438 1.898 ( 0.468 -4.514 -0.149) 4.540 2.009 ( -2.905 4.554 0.256) 5.407 2.078 ( -0.403 1.908 -1.082) 2.230 2.143 ( -0.099 0.112 -0.213) 0.260 2.183 ( -0.707 -0.556 0.376) 0.975 2.331 ( 3.717 0.301 1.257) 3.935 2.352 ( 2.615 -1.554 1.561) 3.419 2.453 ( 2.037 -2.286 1.142) 3.268 2.499 ( 3.075 -3.289 -0.554) 4.537 2.796 ( 6.959 1.726 0.227) 7.173 2.829 ( 8.357 3.613 -1.845) 9.289 2.986 ( 4.878 -3.899 2.337) 6.668 3.061 ( 6.288 -4.939 -2.457) 8.364 4.264 ( -1.201 3.456 -0.735) 3.732 4.293 ( -0.357 2.720 1.426) 3.092 4.305 ( -0.919 4.158 -2.196) 4.791 4.352 ( -0.684 4.573 1.747) 4.943 4.415 ( -2.344 -0.701 0.264) 2.460 4.485 ( -1.194 -2.903 -1.309) 3.401 4.584 ( 0.600 -5.602 0.408) 5.649 4.606 ( 0.443 -5.339 -0.048) 5.357 5.052 ( -1.288 0.605 -0.036) 1.423 5.079 ( -0.270 -0.121 0.839) 0.889 5.107 ( -1.161 1.509 -0.387) 1.943 5.138 ( 0.133 0.115 -0.296) 0.344 5.195 ( 1.150 1.443 -0.547) 1.925 5.257 ( 1.743 0.316 1.159) 2.117 5.330 ( -1.180 -1.617 -0.777) 2.148 5.363 ( -0.975 -1.789 0.284) 2.057 6.097 ( 0.891 2.639 -0.424) 2.817 6.153 ( 2.269 2.385 0.705) 3.367 6.224 ( 0.552 -3.014 -1.222) 3.299 6.259 ( 1.165 -2.381 0.415) 2.683 7.008 ( -0.463 1.934 -0.400) 2.028 7.060 ( 0.718 0.504 0.571) 1.047 7.119 ( -1.055 -0.747 -0.763) 1.502 7.164 ( -0.174 -1.952 0.423) 2.005 ======================= Grid point 188 (101/108) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.687 3.983 -0.268) 4.051 0.909 ( -0.665 5.399 -3.714) 6.587 1.047 ( 0.272 -0.823 1.525) 1.754 1.093 ( 3.287 -0.036 -2.431) 4.089 1.221 ( 3.741 5.451 -0.361) 6.621 1.247 ( 0.504 3.503 1.537) 3.858 1.391 ( 0.869 -2.030 1.970) 2.959 1.452 ( 0.604 -3.517 -0.334) 3.584 1.741 ( 0.804 0.943 -0.379) 1.296 1.815 ( -0.715 0.215 0.084) 0.752 1.826 ( 0.498 -0.921 1.898) 2.168 1.893 ( -1.771 -0.623 1.061) 2.157 1.980 ( -0.583 4.520 0.805) 4.628 2.059 ( -0.644 3.686 -1.164) 3.919 2.137 ( -0.160 -0.771 0.783) 1.110 2.184 ( 0.408 0.219 -0.260) 0.531 2.396 ( 2.057 0.230 1.446) 2.524 2.428 ( 3.004 -0.918 2.448) 3.982 2.488 ( 0.771 -1.134 0.634) 1.511 2.543 ( 2.156 -1.837 -0.658) 2.908 2.905 ( 5.035 3.608 -0.667) 6.230 2.951 ( 6.671 3.802 -2.722) 8.146 3.101 ( 4.569 -3.428 2.371) 6.185 3.146 ( 4.950 -3.762 -1.317) 6.355 4.235 ( -1.226 4.010 -0.467) 4.220 4.261 ( -0.944 4.816 -2.057) 5.321 4.315 ( 0.078 0.693 2.029) 2.146 4.349 ( -0.717 3.599 0.728) 3.742 4.389 ( -1.321 -0.228 0.821) 1.572 4.450 ( -0.709 -3.386 -2.065) 4.029 4.593 ( 0.022 -6.049 0.330) 6.058 4.606 ( -0.145 -5.726 -0.210) 5.731 5.037 ( -0.605 1.194 0.574) 1.456 5.082 ( -0.983 1.957 -0.574) 2.264 5.089 ( 0.180 -0.352 1.136) 1.203 5.137 ( 0.130 -0.200 -0.541) 0.592 5.221 ( 1.825 1.199 0.056) 2.184 5.287 ( 0.476 0.541 0.594) 0.933 5.304 ( -0.957 -2.055 -0.364) 2.296 5.342 ( -1.229 -1.533 -0.147) 1.971 6.114 ( 1.143 2.504 0.092) 2.754 6.176 ( 0.267 2.199 -1.105) 2.476 6.239 ( 1.763 -2.950 0.113) 3.438 6.277 ( 0.518 -2.285 0.034) 2.344 7.009 ( 0.498 1.927 0.604) 2.080 7.076 ( 0.695 -0.457 0.468) 0.954 7.095 ( -1.024 0.375 -0.846) 1.380 7.152 ( -0.988 -1.733 -0.537) 2.066 ======================= Grid point 189 (102/108) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -1.230 -2.311 1.508) 3.021 0.909 ( -1.230 2.311 1.508) 3.021 1.060 ( 1.196 -2.818 -3.279) 4.486 1.060 ( 1.196 2.818 -3.279) 4.486 1.312 ( -0.359 -1.591 0.944) 1.884 1.312 ( -0.359 1.591 0.944) 1.884 1.392 ( 0.337 -1.285 0.227) 1.348 1.392 ( 0.337 1.285 0.227) 1.348 1.786 ( -0.224 -0.789 0.369) 0.899 1.786 ( -0.224 0.789 0.369) 0.899 1.874 ( 0.172 -0.256 0.355) 0.471 1.874 ( 0.172 0.256 0.355) 0.471 2.093 ( 0.273 -4.294 1.946) 4.722 2.093 ( 0.273 4.294 1.946) 4.722 2.135 ( 0.084 -3.804 -1.444) 4.070 2.135 ( 0.084 3.804 -1.444) 4.070 2.461 ( 0.531 -1.330 2.311) 2.719 2.461 ( 0.531 1.330 2.311) 2.719 2.514 ( -0.282 -2.116 -0.924) 2.326 2.514 ( -0.282 2.116 -0.924) 2.326 3.043 ( -0.579 -3.817 1.454) 4.126 3.043 ( -0.579 3.817 1.454) 4.126 3.107 ( 0.370 -3.707 -2.292) 4.373 3.107 ( 0.370 3.707 -2.292) 4.373 4.291 ( -0.403 -2.985 2.000) 3.615 4.291 ( -0.403 2.985 2.000) 3.615 4.341 ( 0.314 -3.672 -1.900) 4.147 4.341 ( 0.314 3.672 -1.900) 4.147 4.411 ( -0.022 -0.744 -0.653) 0.990 4.411 ( -0.022 0.744 -0.653) 0.990 4.510 ( 0.011 -0.366 0.283) 0.463 4.510 ( 0.011 0.366 0.283) 0.463 5.078 ( 0.282 -1.669 1.299) 2.134 5.078 ( 0.282 1.669 1.299) 2.134 5.105 ( -0.285 -1.821 -1.080) 2.137 5.105 ( -0.285 1.821 -1.080) 2.137 5.272 ( 0.420 -0.494 0.252) 0.695 5.272 ( 0.420 0.494 0.252) 0.695 5.297 ( -0.314 -0.624 -0.212) 0.730 5.297 ( -0.314 0.624 -0.212) 0.730 6.168 ( -0.195 -0.806 -0.330) 0.892 6.168 ( -0.195 0.806 -0.330) 0.892 6.245 ( 0.089 -0.540 0.023) 0.548 6.245 ( 0.089 0.540 0.023) 0.548 7.067 ( 0.943 -1.389 1.101) 2.008 7.067 ( 0.943 1.389 1.101) 2.008 7.095 ( -0.967 -1.238 -1.206) 1.981 7.095 ( -0.967 1.238 -1.206) 1.981 ======================= Grid point 191 (103/108) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -1.448 -1.208 2.488) 3.122 0.904 ( -1.448 1.208 2.488) 3.122 1.046 ( 0.297 -3.211 -2.493) 4.076 1.046 ( 0.297 3.211 -2.493) 4.076 1.319 ( 0.165 -3.864 0.872) 3.965 1.319 ( 0.165 3.864 0.872) 3.965 1.377 ( -1.627 -2.003 -0.708) 2.676 1.377 ( -1.627 2.003 -0.708) 2.676 1.778 ( -1.020 -2.366 0.342) 2.599 1.778 ( -1.020 2.366 0.342) 2.599 1.870 ( -0.727 -1.738 -0.461) 1.940 1.870 ( -0.727 1.738 -0.461) 1.940 2.089 ( -0.780 -3.958 -0.180) 4.039 2.089 ( -0.780 3.958 -0.180) 4.039 2.150 ( 1.664 -3.042 -0.356) 3.485 2.150 ( 1.664 3.042 -0.356) 3.485 2.450 ( -2.512 -0.682 -1.035) 2.801 2.450 ( -2.512 0.682 -1.035) 2.801 2.489 ( -2.001 -1.181 0.504) 2.378 2.489 ( -2.001 1.181 0.504) 2.378 2.987 ( -6.739 -3.341 1.281) 7.630 2.987 ( -6.739 3.341 1.281) 7.630 3.043 ( -5.421 -4.298 -0.822) 6.967 3.043 ( -5.421 4.298 -0.822) 6.967 4.306 ( 0.259 -1.774 1.228) 2.173 4.306 ( 0.259 1.774 1.228) 2.173 4.345 ( 1.660 -1.659 -1.111) 2.597 4.345 ( 1.660 1.659 -1.111) 2.597 4.416 ( 0.934 -2.100 0.061) 2.299 4.416 ( 0.934 2.100 0.061) 2.299 4.513 ( 0.125 -0.861 0.012) 0.870 4.513 ( 0.125 0.861 0.012) 0.870 5.088 ( 0.078 -1.772 -0.885) 1.982 5.088 ( 0.078 1.772 -0.885) 1.982 5.102 ( 0.499 -1.248 0.886) 1.609 5.102 ( 0.499 1.248 0.886) 1.609 5.257 ( -1.183 -1.965 -0.376) 2.324 5.257 ( -1.183 1.965 -0.376) 2.324 5.312 ( 1.209 -1.064 0.195) 1.623 5.312 ( 1.209 1.064 0.195) 1.623 6.159 ( -0.873 -1.319 0.332) 1.617 6.159 ( -0.873 1.319 0.332) 1.617 6.234 ( -1.103 -1.430 -0.134) 1.810 6.234 ( -1.103 1.430 -0.134) 1.810 7.059 ( -0.878 -1.507 -0.933) 1.978 7.059 ( -0.878 1.507 -0.933) 1.978 7.104 ( 1.212 -1.523 0.974) 2.176 7.104 ( 1.212 1.523 0.974) 2.176 ======================= Grid point 193 (104/108) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -1.974 -1.489 3.591) 4.360 0.903 ( -1.974 1.489 3.591) 4.360 1.027 ( 0.339 -3.530 -2.530) 4.356 1.027 ( 0.339 3.530 -2.530) 4.356 1.327 ( -1.757 -5.213 0.399) 5.515 1.327 ( -1.757 5.213 0.399) 5.515 1.340 ( 0.364 -5.687 -0.581) 5.728 1.340 ( 0.364 5.687 -0.581) 5.728 1.757 ( -1.526 -3.535 -0.056) 3.851 1.757 ( -1.526 3.535 -0.056) 3.851 1.837 ( -1.621 -2.612 -1.825) 3.575 1.837 ( -1.621 2.612 -1.825) 3.575 2.083 ( 0.101 -1.649 0.041) 1.652 2.083 ( 0.101 1.649 0.041) 1.652 2.164 ( 0.309 -2.259 -0.632) 2.366 2.164 ( 0.309 2.259 -0.632) 2.366 2.381 ( -3.051 -0.839 -2.083) 3.788 2.381 ( -3.051 0.839 -2.083) 3.788 2.445 ( -2.776 -1.051 -0.289) 2.983 2.445 ( -2.776 1.051 -0.289) 2.983 2.855 ( -8.091 -0.998 0.244) 8.156 2.855 ( -8.091 0.998 0.244) 8.156 2.933 ( -6.609 -2.790 1.573) 7.344 2.933 ( -6.609 2.790 1.573) 7.344 4.319 ( 0.384 -0.821 0.306) 0.957 4.319 ( 0.384 0.821 0.306) 0.957 4.374 ( 1.964 -3.441 0.147) 3.965 4.374 ( 1.964 3.441 0.147) 3.965 4.441 ( 1.487 -1.645 0.247) 2.231 4.441 ( 1.487 1.645 0.247) 2.231 4.512 ( -0.244 -1.816 -0.169) 1.840 4.512 ( -0.244 1.816 -0.169) 1.840 5.082 ( 0.364 -1.306 -0.919) 1.638 5.082 ( 0.364 1.306 -0.919) 1.638 5.121 ( 0.554 -0.698 0.790) 1.191 5.121 ( 0.554 0.698 0.790) 1.191 5.235 ( -0.883 -2.827 -0.296) 2.977 5.235 ( -0.883 2.827 -0.296) 2.977 5.331 ( 0.710 -1.667 0.044) 1.812 5.331 ( 0.710 1.667 0.044) 1.812 6.144 ( -1.223 -2.773 0.548) 3.080 6.144 ( -1.223 2.773 0.548) 3.080 6.211 ( -1.221 -2.667 0.021) 2.933 6.211 ( -1.221 2.667 0.021) 2.933 7.045 ( -0.080 -1.705 -0.333) 1.739 7.045 ( -0.080 1.705 -0.333) 1.739 7.127 ( 0.512 -1.633 0.441) 1.767 7.127 ( 0.512 1.633 0.441) 1.767 ======================= Grid point 195 (105/108) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -1.970 -1.391 3.902) 4.588 0.902 ( -1.970 1.391 3.902) 4.588 1.015 ( 1.428 -2.867 -3.183) 4.516 1.015 ( 1.428 2.867 -3.183) 4.516 1.292 ( -1.189 -2.122 -0.508) 2.484 1.292 ( -1.189 2.122 -0.508) 2.484 1.361 ( 0.705 -3.533 0.980) 3.734 1.361 ( 0.705 3.533 0.980) 3.734 1.730 ( -0.963 -2.383 -0.208) 2.578 1.730 ( -0.963 2.383 -0.208) 2.578 1.789 ( -1.205 -1.612 -2.475) 3.190 1.789 ( -1.205 1.612 -2.475) 3.190 2.089 ( 0.172 -1.081 0.688) 1.293 2.089 ( 0.172 1.081 0.688) 1.293 2.147 ( -0.965 -2.136 -1.174) 2.621 2.147 ( -0.965 2.136 -1.174) 2.621 2.323 ( -1.351 -1.799 -1.462) 2.683 2.323 ( -1.351 1.799 -1.462) 2.683 2.406 ( -0.822 -1.079 -0.775) 1.563 2.406 ( -0.822 1.079 -0.775) 1.563 2.746 ( -3.781 -0.744 0.546) 3.892 2.746 ( -3.781 0.744 0.546) 3.892 2.863 ( -2.449 -2.056 1.436) 3.505 2.863 ( -2.449 2.056 1.436) 3.505 4.324 ( -0.239 -1.145 0.371) 1.227 4.324 ( -0.239 1.145 0.371) 1.227 4.411 ( 1.743 -4.223 0.466) 4.592 4.411 ( 1.743 4.223 0.466) 4.592 4.464 ( 0.842 -1.506 -0.388) 1.769 4.464 ( 0.842 1.506 -0.388) 1.769 4.500 ( -0.783 -2.044 0.025) 2.188 4.500 ( -0.783 2.044 0.025) 2.188 5.083 ( 0.287 -0.705 -0.383) 0.852 5.083 ( 0.287 0.705 -0.383) 0.852 5.133 ( 0.235 -0.177 0.282) 0.408 5.133 ( 0.235 0.177 0.282) 0.408 5.223 ( -0.267 -2.267 -0.098) 2.285 5.223 ( -0.267 2.267 -0.098) 2.285 5.338 ( 0.120 -1.360 -0.068) 1.367 5.338 ( 0.120 1.360 -0.068) 1.367 6.130 ( -0.664 -1.970 0.350) 2.109 6.130 ( -0.664 1.970 0.350) 2.109 6.197 ( -0.391 -1.993 0.190) 2.040 6.197 ( -0.391 1.993 0.190) 2.040 7.048 ( 0.380 -1.304 0.144) 1.366 7.048 ( 0.380 1.304 0.144) 1.366 7.131 ( -0.188 -1.268 -0.070) 1.283 7.131 ( -0.188 1.268 -0.070) 1.283 ======================= Grid point 197 (106/108) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -0.980 -1.841 3.170) 3.795 0.909 ( -0.980 1.841 3.170) 3.795 1.022 ( 2.880 -1.682 -3.661) 4.952 1.022 ( 2.880 1.682 -3.661) 4.952 1.281 ( -0.027 -1.745 0.508) 1.818 1.281 ( -0.027 1.745 0.508) 1.818 1.367 ( -0.966 -3.622 0.451) 3.775 1.367 ( -0.966 3.622 0.451) 3.775 1.728 ( 0.497 -0.566 0.284) 0.806 1.728 ( 0.497 0.566 0.284) 0.806 1.772 ( 1.734 -2.898 -1.241) 3.598 1.772 ( 1.734 2.898 -1.241) 3.598 2.095 ( -0.537 -0.877 0.313) 1.075 2.095 ( -0.537 0.877 0.313) 1.075 2.137 ( 1.246 -0.803 -0.381) 1.531 2.137 ( 1.246 0.803 -0.381) 1.531 2.307 ( 0.265 -0.995 0.064) 1.032 2.307 ( 0.265 0.995 0.064) 1.032 2.403 ( 1.145 -1.299 -0.451) 1.790 2.403 ( 1.145 1.299 -0.451) 1.790 2.744 ( 2.713 -2.072 0.797) 3.506 2.744 ( 2.713 2.072 0.797) 3.506 2.881 ( 3.819 -2.950 -0.314) 4.836 2.881 ( 3.819 2.950 -0.314) 4.836 4.318 ( -1.048 -0.982 0.801) 1.644 4.318 ( -1.048 0.982 0.801) 1.644 4.432 ( 0.407 -1.000 -1.193) 1.609 4.432 ( 0.407 1.000 -1.193) 1.609 4.457 ( -0.844 -0.782 -0.024) 1.151 4.457 ( -0.844 0.782 -0.024) 1.151 4.497 ( 0.028 -0.787 0.536) 0.952 4.497 ( 0.028 0.787 0.536) 0.952 5.080 ( -0.546 -0.173 -0.022) 0.573 5.080 ( -0.546 0.173 -0.022) 0.573 5.135 ( -0.090 -0.320 0.047) 0.336 5.135 ( -0.090 0.320 0.047) 0.336 5.224 ( 0.419 -0.535 -0.158) 0.698 5.224 ( 0.419 0.535 -0.158) 0.698 5.337 ( -0.201 -0.352 0.042) 0.408 5.337 ( -0.201 0.352 0.042) 0.408 6.132 ( 0.615 -0.442 0.183) 0.779 6.132 ( 0.615 0.442 0.183) 0.779 6.200 ( 0.545 -0.502 -0.043) 0.743 6.200 ( 0.545 0.502 -0.043) 0.743 7.052 ( -0.105 -0.335 -0.204) 0.406 7.052 ( -0.105 0.335 -0.204) 0.406 7.127 ( -0.055 -0.242 0.218) 0.330 7.127 ( -0.055 0.242 0.218) 0.330 ======================= Grid point 199 (107/108) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -0.725 -3.349 1.959) 3.947 0.920 ( -0.725 3.349 1.959) 3.947 1.044 ( 3.462 -1.519 -3.966) 5.479 1.044 ( 3.462 1.519 -3.966) 5.479 1.300 ( 0.752 -4.054 1.843) 4.516 1.300 ( 0.752 4.054 1.843) 4.516 1.347 ( -0.669 -6.798 -0.256) 6.836 1.347 ( -0.669 6.798 -0.256) 6.836 1.752 ( 1.548 -1.779 0.493) 2.409 1.752 ( 1.548 1.779 0.493) 2.409 1.810 ( 2.332 -2.738 0.565) 3.641 1.810 ( 2.332 2.738 0.565) 3.641 2.081 ( -1.066 -2.005 0.245) 2.283 2.081 ( -1.066 2.005 0.245) 2.283 2.159 ( 0.631 -1.387 -0.075) 1.526 2.159 ( 0.631 1.387 -0.075) 1.526 2.339 ( 2.390 -0.063 1.790) 2.987 2.339 ( 2.390 0.063 1.790) 2.987 2.442 ( 3.320 -1.581 0.041) 3.677 2.442 ( 3.320 1.581 0.041) 3.677 2.845 ( 7.225 -2.359 0.886) 7.651 2.845 ( 7.225 2.359 0.886) 7.651 2.974 ( 7.169 -3.098 -1.964) 8.053 2.974 ( 7.169 3.098 -1.964) 8.053 4.303 ( -1.694 -1.220 1.329) 2.475 4.303 ( -1.694 1.220 1.329) 2.475 4.403 ( -1.126 -4.102 -2.075) 4.733 4.403 ( -1.126 4.102 -2.075) 4.733 4.445 ( -0.710 -0.689 -0.293) 1.032 4.445 ( -0.710 0.689 -0.293) 1.032 4.503 ( -0.038 -1.569 0.722) 1.728 4.503 ( -0.038 1.569 0.722) 1.728 5.068 ( -0.780 -0.808 0.476) 1.220 5.068 ( -0.780 0.808 0.476) 1.220 5.131 ( -0.262 -0.799 -0.263) 0.882 5.131 ( -0.262 0.799 -0.263) 0.882 5.233 ( 0.820 -2.084 -0.118) 2.243 5.233 ( 0.820 2.084 -0.118) 2.243 5.330 ( -0.627 -1.261 0.093) 1.411 5.330 ( -0.627 1.261 0.093) 1.411 6.151 ( 1.372 -2.582 -0.123) 2.927 6.151 ( 1.372 2.582 -0.123) 2.927 6.213 ( 1.073 -2.019 -0.213) 2.297 6.213 ( 1.073 2.019 -0.213) 2.297 7.044 ( -0.308 -1.553 -0.234) 1.601 7.044 ( -0.308 1.553 -0.234) 1.601 7.130 ( -0.073 -1.322 0.154) 1.333 7.130 ( -0.073 1.322 0.154) 1.333 ======================= Grid point 201 (108/108) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -1.093 -3.532 1.257) 3.905 0.918 ( -1.093 3.532 1.257) 3.905 1.062 ( 2.573 -2.245 -3.983) 5.246 1.062 ( 2.573 2.245 -3.983) 5.246 1.313 ( -0.873 -4.161 1.326) 4.453 1.313 ( -0.873 4.161 1.326) 4.453 1.365 ( 1.947 -4.577 0.571) 5.007 1.365 ( 1.947 4.577 0.571) 5.007 1.778 ( 0.791 -2.335 0.382) 2.494 1.778 ( 0.791 2.335 0.382) 2.494 1.854 ( 1.531 -2.273 0.979) 2.910 1.854 ( 1.531 2.273 0.979) 2.910 2.072 ( -0.319 -3.589 1.210) 3.801 2.072 ( -0.319 3.589 1.210) 3.801 2.153 ( -0.634 -2.871 -0.552) 2.992 2.153 ( -0.634 2.871 -0.552) 2.992 2.408 ( 2.509 -1.010 2.607) 3.757 2.408 ( 2.509 1.010 2.607) 3.757 2.499 ( 2.581 -2.013 -0.189) 3.279 2.499 ( 2.581 2.013 -0.189) 3.279 2.980 ( 5.905 -2.781 1.143) 6.626 2.980 ( 5.905 2.781 1.143) 6.626 3.073 ( 5.757 -2.524 -2.623) 6.812 3.073 ( 5.757 2.524 -2.623) 6.812 4.288 ( -1.397 -2.107 1.814) 3.112 4.288 ( -1.397 2.107 1.814) 3.112 4.365 ( -0.889 -4.521 -1.966) 5.010 4.365 ( -0.889 4.521 -1.966) 5.010 4.426 ( -0.663 -1.335 -0.934) 1.759 4.426 ( -0.663 1.335 -0.934) 1.759 4.507 ( -0.174 -1.206 0.582) 1.351 4.507 ( -0.174 1.206 0.582) 1.351 5.066 ( -0.235 -1.465 1.096) 1.844 5.066 ( -0.235 1.465 1.096) 1.844 5.121 ( -0.384 -1.451 -0.785) 1.693 5.121 ( -0.384 1.451 -0.785) 1.693 5.251 ( 1.141 -1.904 0.211) 2.230 5.251 ( 1.141 1.904 0.211) 2.230 5.315 ( -1.058 -1.160 -0.091) 1.573 5.315 ( -1.058 1.160 -0.091) 1.573 6.168 ( 0.767 -2.667 -0.578) 2.834 6.168 ( 0.767 2.667 -0.578) 2.834 6.233 ( 1.071 -2.032 0.035) 2.297 6.233 ( 1.071 2.032 0.035) 2.297 7.045 ( 0.411 -1.687 0.509) 1.809 7.045 ( 0.411 1.687 0.509) 1.809 7.121 ( -0.746 -1.429 -0.670) 1.746 7.121 ( -0.746 1.429 -0.670) 1.746 =================== 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 3/16800 10.0 45.366 26.075 18.980 0.000 1.409 0.000 3/16800 20.0 14.355 8.394 5.478 0.000 0.035 0.000 3/16800 30.0 7.654 4.656 2.930 0.000 -0.039 0.000 3/16800 40.0 5.172 3.255 1.990 0.000 -0.040 0.000 3/16800 50.0 3.908 2.534 1.513 0.000 -0.035 0.000 3/16800 60.0 3.143 2.090 1.224 0.000 -0.029 0.000 3/16800 70.0 2.630 1.786 1.030 0.000 -0.025 0.000 3/16800 80.0 2.261 1.562 0.890 0.000 -0.022 0.000 3/16800 90.0 1.984 1.390 0.785 0.000 -0.019 0.000 3/16800 100.0 1.768 1.253 0.702 0.000 -0.017 0.000 3/16800 110.0 1.596 1.142 0.635 0.000 -0.015 0.000 3/16800 120.0 1.454 1.049 0.580 0.000 -0.014 0.000 3/16800 130.0 1.336 0.970 0.534 0.000 -0.013 0.000 3/16800 140.0 1.236 0.902 0.495 0.000 -0.012 0.000 3/16800 150.0 1.150 0.843 0.461 0.000 -0.011 0.000 3/16800 160.0 1.075 0.792 0.432 0.000 -0.010 0.000 3/16800 170.0 1.010 0.746 0.406 0.000 -0.010 0.000 3/16800 180.0 0.952 0.706 0.383 0.000 -0.009 0.000 3/16800 190.0 0.900 0.670 0.363 0.000 -0.009 0.000 3/16800 200.0 0.854 0.637 0.344 0.000 -0.008 0.000 3/16800 210.0 0.813 0.607 0.328 0.000 -0.008 0.000 3/16800 220.0 0.775 0.580 0.313 0.000 -0.007 0.000 3/16800 230.0 0.741 0.555 0.299 0.000 -0.007 0.000 3/16800 240.0 0.710 0.533 0.287 0.000 -0.007 0.000 3/16800 250.0 0.681 0.512 0.275 0.000 -0.007 0.000 3/16800 260.0 0.654 0.492 0.265 0.000 -0.006 0.000 3/16800 270.0 0.630 0.475 0.255 0.000 -0.006 0.000 3/16800 280.0 0.607 0.458 0.246 0.000 -0.006 0.000 3/16800 290.0 0.586 0.442 0.237 0.000 -0.006 0.000 3/16800 300.0 0.566 0.428 0.229 0.000 -0.005 0.000 3/16800 310.0 0.548 0.414 0.222 0.000 -0.005 0.000 3/16800 320.0 0.530 0.401 0.215 0.000 -0.005 0.000 3/16800 330.0 0.514 0.389 0.208 0.000 -0.005 0.000 3/16800 340.0 0.499 0.378 0.202 0.000 -0.005 0.000 3/16800 350.0 0.485 0.368 0.196 0.000 -0.005 0.000 3/16800 360.0 0.471 0.357 0.191 0.000 -0.005 0.000 3/16800 370.0 0.458 0.348 0.186 0.000 -0.004 0.000 3/16800 380.0 0.446 0.339 0.181 0.000 -0.004 0.000 3/16800 390.0 0.435 0.330 0.176 0.000 -0.004 0.000 3/16800 400.0 0.424 0.322 0.172 0.000 -0.004 0.000 3/16800 410.0 0.413 0.314 0.168 0.000 -0.004 0.000 3/16800 420.0 0.404 0.307 0.164 0.000 -0.004 0.000 3/16800 430.0 0.394 0.300 0.160 0.000 -0.004 0.000 3/16800 440.0 0.385 0.293 0.156 0.000 -0.004 0.000 3/16800 450.0 0.377 0.287 0.153 0.000 -0.004 0.000 3/16800 460.0 0.368 0.281 0.149 0.000 -0.004 0.000 3/16800 470.0 0.361 0.275 0.146 0.000 -0.003 0.000 3/16800 480.0 0.353 0.269 0.143 0.000 -0.003 0.000 3/16800 490.0 0.346 0.264 0.140 0.000 -0.003 0.000 3/16800 500.0 0.339 0.258 0.137 0.000 -0.003 0.000 3/16800 510.0 0.332 0.253 0.135 0.000 -0.003 0.000 3/16800 520.0 0.326 0.249 0.132 0.000 -0.003 0.000 3/16800 530.0 0.320 0.244 0.130 0.000 -0.003 0.000 3/16800 540.0 0.314 0.239 0.127 0.000 -0.003 0.000 3/16800 550.0 0.308 0.235 0.125 0.000 -0.003 0.000 3/16800 560.0 0.303 0.231 0.123 0.000 -0.003 0.000 3/16800 570.0 0.297 0.227 0.121 0.000 -0.003 0.000 3/16800 580.0 0.292 0.223 0.119 0.000 -0.003 0.000 3/16800 590.0 0.287 0.219 0.117 0.000 -0.003 0.000 3/16800 600.0 0.282 0.216 0.115 0.000 -0.003 0.000 3/16800 610.0 0.278 0.212 0.113 0.000 -0.003 0.000 3/16800 620.0 0.273 0.209 0.111 0.000 -0.003 0.000 3/16800 630.0 0.269 0.206 0.109 0.000 -0.003 0.000 3/16800 640.0 0.265 0.202 0.107 0.000 -0.003 0.000 3/16800 650.0 0.261 0.199 0.106 0.000 -0.002 0.000 3/16800 660.0 0.257 0.196 0.104 0.000 -0.002 0.000 3/16800 670.0 0.253 0.193 0.103 0.000 -0.002 0.000 3/16800 680.0 0.249 0.191 0.101 0.000 -0.002 0.000 3/16800 690.0 0.245 0.188 0.100 0.000 -0.002 0.000 3/16800 700.0 0.242 0.185 0.098 0.000 -0.002 0.000 3/16800 710.0 0.239 0.183 0.097 0.000 -0.002 0.000 3/16800 720.0 0.235 0.180 0.096 0.000 -0.002 0.000 3/16800 730.0 0.232 0.178 0.094 0.000 -0.002 0.000 3/16800 740.0 0.229 0.175 0.093 0.000 -0.002 0.000 3/16800 750.0 0.226 0.173 0.092 0.000 -0.002 0.000 3/16800 760.0 0.223 0.171 0.091 0.000 -0.002 0.000 3/16800 770.0 0.220 0.168 0.089 0.000 -0.002 0.000 3/16800 780.0 0.217 0.166 0.088 0.000 -0.002 0.000 3/16800 790.0 0.214 0.164 0.087 0.000 -0.002 0.000 3/16800 800.0 0.212 0.162 0.086 0.000 -0.002 0.000 3/16800 810.0 0.209 0.160 0.085 0.000 -0.002 0.000 3/16800 820.0 0.207 0.158 0.084 0.000 -0.002 0.000 3/16800 830.0 0.204 0.156 0.083 0.000 -0.002 0.000 3/16800 840.0 0.202 0.154 0.082 0.000 -0.002 0.000 3/16800 850.0 0.199 0.153 0.081 0.000 -0.002 0.000 3/16800 860.0 0.197 0.151 0.080 0.000 -0.002 0.000 3/16800 870.0 0.195 0.149 0.079 0.000 -0.002 0.000 3/16800 880.0 0.193 0.147 0.078 0.000 -0.002 0.000 3/16800 890.0 0.190 0.146 0.077 0.000 -0.002 0.000 3/16800 900.0 0.188 0.144 0.076 0.000 -0.002 0.000 3/16800 910.0 0.186 0.143 0.076 0.000 -0.002 0.000 3/16800 920.0 0.184 0.141 0.075 0.000 -0.002 0.000 3/16800 930.0 0.182 0.140 0.074 0.000 -0.002 0.000 3/16800 940.0 0.180 0.138 0.073 0.000 -0.002 0.000 3/16800 950.0 0.178 0.137 0.072 0.000 -0.002 0.000 3/16800 960.0 0.176 0.135 0.072 0.000 -0.002 0.000 3/16800 970.0 0.175 0.134 0.071 0.000 -0.002 0.000 3/16800 980.0 0.173 0.133 0.070 0.000 -0.002 0.000 3/16800 990.0 0.171 0.131 0.070 0.000 -0.002 0.000 3/16800 1000.0 0.169 0.130 0.069 0.000 -0.002 0.000 3/16800 Thermal conductivity related properties were written into "kappa-m7105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:49:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|